#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bn4 n ARG 48 N 0.00 2.35 -3.51 1.20 0.63 -1.26 -4.98 116.66 111.08 2bn4 n ARG 48 Ca 0.00 -1.98 -0.39 0.00 -0.92 0.00 0.00 57.85 54.56 2bn4 n ARG 48 Cb 0.00 -1.23 -0.10 0.00 0.45 0.00 0.00 32.46 31.58 2bn4 n ARG 48 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2bn4 s ASP 49 N -1.74 6.09 0.00 6.15 3.68 -1.26 0.87 116.67 130.46 2bn4 s ASP 49 Ca 0.15 -0.06 0.00 0.00 2.13 0.00 0.00 52.55 54.77 2bn4 s ASP 49 Cb 0.12 -2.15 0.00 0.00 -1.45 0.00 0.00 42.92 39.44 2bn4 s ASP 49 CO 0.02 -0.15 0.70 0.00 0.13 0.00 0.00 175.17 175.88 2bn4 n ILE 50 N 5.10 0.00 -0.45 4.11 0.13 -1.02 -0.27 119.36 126.96 2bn4 n ILE 50 Ca -0.12 1.20 0.37 0.00 -1.10 0.00 0.00 62.75 63.11 2bn4 n ILE 50 Cb 0.51 -1.97 0.67 0.00 -0.84 0.00 0.00 39.64 38.01 2bn4 n ILE 50 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2bn4 h ALA 51 N -1.81 2.86 0.01 1.51 0.00 -1.85 0.39 119.26 120.37 2bn4 h ALA 51 Ca 0.00 0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 2bn4 h ALA 51 Cb 0.00 0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.97 2bn4 h ALA 51 CO 0.00 -1.43 -0.83 0.37 0.00 0.00 0.00 179.25 177.36 2bn4 h GLN 52 N 0.10 0.55 -0.40 0.00 4.15 -1.83 -2.93 115.11 114.75 2bn4 h GLN 52 Ca 0.79 -0.60 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 2bn4 h GLN 52 Cb 2.58 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 30.42 2bn4 h GLN 52 CO -0.31 1.22 0.12 0.28 -1.93 0.00 0.00 178.83 178.22 2bn4 h VAL 53 N 0.14 1.22 -0.26 2.39 2.07 0.29 -1.79 116.25 120.30 2bn4 h VAL 53 Ca -0.11 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 2bn4 h VAL 53 Cb 1.52 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2bn4 h VAL 53 CO 0.16 0.25 0.11 0.58 0.02 0.00 0.00 177.57 178.69 2bn4 h VAL 54 N 0.50 1.17 0.05 2.57 2.07 -1.34 -2.65 116.25 118.62 2bn4 h VAL 54 Ca 0.13 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2bn4 h VAL 54 Cb 0.26 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2bn4 h VAL 54 CO -0.00 0.17 -0.02 0.71 0.02 0.00 0.00 177.57 178.45 2bn4 h THR 55 N 0.27 1.20 -0.87 2.57 1.35 -1.49 -1.09 112.91 114.85 2bn4 h THR 55 Ca 0.09 -0.81 0.14 0.00 -0.55 0.00 0.00 66.41 65.28 2bn4 h THR 55 Cb 0.17 1.73 -0.07 0.00 -1.73 0.00 0.00 68.15 68.25 2bn4 h THR 55 CO -0.01 0.20 0.56 -0.33 -0.25 0.00 0.00 175.52 175.70 2bn4 h GLU 56 N -0.42 0.63 -0.14 4.72 5.08 -1.37 -0.00 114.58 123.07 2bn4 h GLU 56 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2bn4 h GLU 56 Cb 0.38 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2bn4 h GLU 56 CO 0.01 0.42 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 2bn4 n ASN 57 N -4.55 1.57 -3.59 1.42 3.02 -1.00 -4.95 115.26 107.18 2bn4 n ASN 57 Ca 0.17 -1.67 -0.21 0.00 -0.03 0.00 0.00 54.58 52.84 2bn4 n ASN 57 Cb 0.48 -0.09 0.05 0.00 -0.61 0.00 0.00 39.78 39.61 2bn4 n ASN 57 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2bn4 n ASN 58 N 0.25 -2.51 -4.83 6.41 4.13 -0.02 -4.98 115.26 113.72 2bn4 n ASN 58 Ca 0.16 -0.79 -0.38 0.00 1.68 0.00 0.00 54.58 55.26 2bn4 n ASN 58 Cb 0.32 -4.33 -0.06 0.00 -1.54 0.00 0.00 39.78 34.18 2bn4 n ASN 58 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2bn4 s LYS 59 N -5.66 4.04 -0.04 3.52 -0.14 -0.46 -4.82 119.74 116.18 2bn4 s LYS 59 Ca 0.12 0.55 0.10 0.00 -1.36 0.00 0.00 55.97 55.38 2bn4 s LYS 59 Cb -0.03 -3.16 0.29 0.00 -1.68 0.00 0.00 37.83 33.25 2bn4 s LYS 59 CO 0.79 0.62 1.23 0.27 -0.76 0.00 0.00 175.35 177.51 2bn4 n ASN 60 N 1.52 2.89 -3.63 2.83 6.94 -0.79 -4.82 115.26 120.20 2bn4 n ASN 60 Ca -0.10 -2.22 -0.04 0.00 -0.02 0.00 0.00 54.58 52.19 2bn4 n ASN 60 Cb 0.52 -0.25 -0.07 0.00 -2.36 0.00 0.00 39.78 37.62 2bn4 n ASN 60 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2bn4 s TYR 61 N -1.39 -0.86 -0.22 -2.53 5.04 -1.22 -4.47 117.35 111.69 2bn4 s TYR 61 Ca 0.23 1.69 -0.03 0.00 -2.44 0.00 0.00 57.07 56.52 2bn4 s TYR 61 Cb 0.14 0.51 0.00 0.00 0.35 0.00 0.00 41.96 42.97 2bn4 s TYR 61 CO 0.11 -0.42 -0.06 -1.17 -1.34 0.00 0.00 175.55 172.66 2bn4 s LEU 62 N 1.61 2.89 -0.19 6.97 0.20 -1.10 -1.05 118.68 128.02 2bn4 s LEU 62 Ca -0.09 -0.56 -0.05 0.00 0.69 0.00 0.00 54.13 54.12 2bn4 s LEU 62 Cb -0.05 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 44.00 2bn4 s LEU 62 CO -0.18 -0.05 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.14 2bn4 s VAL 63 N 1.42 3.95 -0.06 1.68 1.01 0.36 -0.62 120.40 128.14 2bn4 s VAL 63 Ca 0.04 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2bn4 s VAL 63 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 2bn4 s VAL 63 CO -0.05 0.44 -0.19 -0.76 0.00 0.00 0.00 175.10 174.55 2bn4 s LEU 64 N 0.86 2.46 -0.03 3.92 1.43 0.22 -0.75 118.68 126.81 2bn4 s LEU 64 Ca 0.01 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 2bn4 s LEU 64 Cb -0.14 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.59 2bn4 s LEU 64 CO 0.02 0.30 -0.15 -0.72 0.23 0.00 0.00 176.35 176.03 2bn4 s TYR 65 N -0.45 1.42 -0.62 0.29 -0.85 -0.89 -0.02 117.35 116.24 2bn4 s TYR 65 Ca 0.05 -0.34 0.04 0.00 -0.52 0.00 0.00 57.07 56.31 2bn4 s TYR 65 Cb -0.12 -0.95 0.16 0.00 0.38 0.00 0.00 41.96 41.44 2bn4 s TYR 65 CO 0.01 -0.09 0.42 0.00 -1.52 0.00 0.00 175.55 174.38 2bn4 s ALA 66 N -0.11 3.24 0.19 9.51 0.00 0.80 -1.10 121.76 134.29 2bn4 s ALA 66 Ca 0.01 -3.45 0.10 0.00 0.00 0.00 0.00 51.96 48.61 2bn4 s ALA 66 Cb -0.08 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2bn4 s ALA 66 CO 0.01 -2.07 -0.14 0.45 0.00 0.00 0.00 175.76 174.01 2bn4 s SER 67 N -0.93 4.00 -0.10 0.00 0.15 -1.26 -2.55 113.70 113.01 2bn4 s SER 67 Ca 0.25 -0.69 0.01 0.00 0.70 0.00 0.00 55.95 56.22 2bn4 s SER 67 Cb -0.07 -0.57 -0.07 0.00 -1.71 0.00 0.00 66.02 63.60 2bn4 s SER 67 CO -0.14 0.10 -0.08 1.67 1.20 0.00 0.00 173.24 176.00 2bn4 n GLN 68 N 0.03 0.50 -1.23 5.44 7.27 -1.26 -4.69 117.38 123.43 2bn4 n GLN 68 Ca -0.11 0.05 -0.14 0.00 0.07 0.00 0.00 57.00 56.87 2bn4 n GLN 68 Cb 0.56 -1.20 0.13 0.00 2.41 0.00 0.00 30.24 32.15 2bn4 n GLN 68 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2bn4 n THR 69 N -2.73 2.70 0.00 1.69 -1.04 -1.26 -4.95 114.28 108.68 2bn4 n THR 69 Ca -0.17 -3.23 0.00 0.00 -2.04 0.00 0.00 64.05 58.61 2bn4 n THR 69 Cb 0.69 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 2bn4 n THR 69 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bn4 n GLY 70 N -0.98 1.04 0.25 3.41 0.00 -1.26 -4.83 105.19 102.81 2bn4 n GLY 70 Ca 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 2bn4 n GLY 70 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bn4 h THR 71 N 0.00 0.99 -0.05 2.61 2.02 -1.95 1.81 112.91 118.34 2bn4 h THR 71 Ca 0.00 -0.23 -0.23 0.00 0.77 0.00 0.00 66.41 66.72 2bn4 h THR 71 Cb 0.00 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2bn4 h THR 71 CO 0.00 0.12 -0.91 0.00 0.37 0.00 0.00 175.52 175.10 2bn4 h ALA 72 N 1.32 0.30 -0.39 6.16 0.00 -1.91 -2.06 119.26 122.68 2bn4 h ALA 72 Ca 0.28 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2bn4 h ALA 72 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2bn4 h ALA 72 CO -0.16 0.73 -0.03 1.49 0.00 0.00 0.00 179.25 181.28 2bn4 h GLU 73 N 0.37 0.64 0.78 0.00 4.81 -1.73 0.25 114.58 119.70 2bn4 h GLU 73 Ca -0.08 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2bn4 h GLU 73 Cb 1.54 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.85 2bn4 h GLU 73 CO 0.17 0.68 -0.37 0.22 -0.73 0.00 0.00 179.01 178.98 2bn4 h ASP 74 N 0.60 -0.89 -0.40 1.04 3.58 0.30 -2.43 116.42 118.23 2bn4 h ASP 74 Ca 0.12 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 2bn4 h ASP 74 Cb 0.43 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2bn4 h ASP 74 CO 0.02 -0.59 -0.02 1.88 -2.88 0.00 0.00 179.24 177.65 2bn4 h TYR 75 N -1.11 0.85 -0.99 0.28 -1.99 -1.20 -1.93 116.97 110.88 2bn4 h TYR 75 Ca -0.11 -0.13 0.21 0.00 2.00 0.00 0.00 58.73 60.70 2bn4 h TYR 75 Cb 0.81 -0.23 -0.10 0.00 2.00 0.00 0.00 36.73 39.21 2bn4 h TYR 75 CO -0.01 0.80 0.62 0.00 -0.00 0.00 0.00 178.16 179.56 2bn4 h ALA 76 N 1.24 1.84 -0.04 3.88 0.00 -0.48 0.04 119.26 125.74 2bn4 h ALA 76 Ca 0.14 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2bn4 h ALA 76 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2bn4 h ALA 76 CO 0.02 -0.21 -0.25 0.87 0.00 0.00 0.00 179.25 179.68 2bn4 h LYS 77 N 0.65 0.25 -0.96 0.00 1.57 -0.86 -1.10 116.57 116.12 2bn4 h LYS 77 Ca 0.57 -0.21 0.17 0.00 -1.87 0.00 0.00 60.65 59.31 2bn4 h LYS 77 Cb 1.05 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.30 2bn4 h LYS 77 CO -0.34 0.87 0.55 0.87 -0.57 0.00 0.00 179.45 180.83 2bn4 h LYS 78 N -0.31 0.71 0.18 3.15 1.57 -0.52 0.31 116.57 121.66 2bn4 h LYS 78 Ca -0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2bn4 h LYS 78 Cb 0.92 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2bn4 h LYS 78 CO 0.05 0.47 -0.09 0.35 -0.57 0.00 0.00 179.45 179.66 2bn4 h PHE 79 N 0.73 -0.23 -0.69 -1.35 3.57 -1.06 -1.91 116.94 116.01 2bn4 h PHE 79 Ca 0.54 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.07 2bn4 h PHE 79 Cb 0.80 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 2bn4 h PHE 79 CO -0.04 0.17 0.42 0.77 -2.23 0.00 0.00 178.31 177.40 2bn4 h SER 80 N -0.73 0.67 -0.25 0.41 0.02 -0.29 -0.69 113.55 112.69 2bn4 h SER 80 Ca -0.03 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2bn4 h SER 80 Cb 0.50 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2bn4 h SER 80 CO 0.04 0.45 0.09 0.50 -1.14 0.00 0.00 176.83 176.77 2bn4 h LYS 81 N 0.80 0.38 0.00 3.45 3.64 -0.50 -2.36 116.57 121.98 2bn4 h LYS 81 Ca 0.29 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2bn4 h LYS 81 Cb 0.09 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2bn4 h LYS 81 CO -0.14 0.43 0.00 1.49 -2.27 0.00 0.00 179.45 178.96 2bn4 h GLU 82 N 0.25 0.00 0.00 1.90 4.81 -0.92 -0.35 114.58 120.27 2bn4 h GLU 82 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2bn4 h GLU 82 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2bn4 h GLU 82 CO -0.01 0.00 -0.07 -0.11 -0.73 0.00 0.00 179.01 178.10 2bn4 n LEU 83 N -2.41 0.33 -0.00 1.64 7.94 -0.30 -2.45 117.00 121.74 2bn4 n LEU 83 Ca 0.01 0.48 0.04 0.00 -1.11 0.00 0.00 56.01 55.43 2bn4 n LEU 83 Cb 0.18 -0.41 -0.05 0.00 0.53 0.00 0.00 43.42 43.66 2bn4 n LEU 83 CO 0.18 -0.05 -0.09 0.52 -1.11 0.00 0.00 177.39 176.84 2bn4 n VAL 84 N -1.77 0.00 0.11 1.96 0.31 -0.55 -2.83 118.33 115.56 2bn4 n VAL 84 Ca 0.06 -0.28 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 2bn4 n VAL 84 Cb 0.37 0.91 -0.02 0.00 -0.91 0.00 0.00 33.84 34.20 2bn4 n VAL 84 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bn4 h ALA 85 N 1.25 0.56 0.00 3.52 0.00 -0.77 -2.89 119.26 120.93 2bn4 h ALA 85 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2bn4 h ALA 85 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2bn4 h ALA 85 CO 0.00 0.88 -0.53 1.63 0.00 0.00 0.00 179.25 181.23 2bn4 n LYS 86 N -3.31 3.07 0.00 0.00 5.02 -1.03 -1.72 118.16 120.19 2bn4 n LYS 86 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2bn4 n LYS 86 Cb 0.81 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 2bn4 n LYS 86 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2bn4 n PHE 87 N -1.20 0.00 -3.41 2.13 3.01 -1.18 -2.66 117.46 114.15 2bn4 n PHE 87 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 2bn4 n PHE 87 Cb 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.52 2bn4 n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2bn4 n ASN 88 N -0.57 -6.00 -4.81 4.37 3.02 -1.09 -4.92 115.26 105.26 2bn4 n ASN 88 Ca 0.00 -0.47 -0.33 0.00 -0.03 0.00 0.00 54.58 53.75 2bn4 n ASN 88 Cb 0.00 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.35 2bn4 n ASN 88 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bn4 s LEU 89 N -7.04 3.79 -0.71 3.41 1.43 -1.15 -4.93 118.68 113.47 2bn4 s LEU 89 Ca 0.48 1.83 -0.23 0.00 -1.03 0.00 0.00 54.13 55.18 2bn4 s LEU 89 Cb -0.22 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.52 2bn4 s LEU 89 CO 0.60 -0.74 1.06 0.21 0.23 0.00 0.00 176.35 177.70 2bn4 s ASN 90 N -2.26 6.22 -0.13 2.29 3.04 -1.26 -4.56 114.94 118.28 2bn4 s ASN 90 Ca 0.65 -0.99 -0.09 0.00 0.04 0.00 0.00 52.86 52.46 2bn4 s ASN 90 Cb -0.14 -2.45 -0.05 0.00 -1.54 0.00 0.00 41.25 37.07 2bn4 s ASN 90 CO 0.22 -1.49 0.19 -0.69 -3.04 0.00 0.00 177.10 172.29 2bn4 s VAL 91 N 4.31 5.40 -0.43 -5.21 1.01 -1.26 -1.89 120.40 122.33 2bn4 s VAL 91 Ca 0.26 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 2bn4 s VAL 91 Cb -0.14 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.85 2bn4 s VAL 91 CO 0.09 0.55 0.29 -0.32 0.00 0.00 0.00 175.10 175.71 2bn4 s MET 92 N -0.54 2.65 -0.50 2.72 1.75 -0.21 -5.00 119.30 120.18 2bn4 s MET 92 Ca 0.15 -1.48 -0.16 0.00 -1.25 0.00 0.00 55.69 52.94 2bn4 s MET 92 Cb -0.12 -3.86 0.08 0.00 2.84 0.00 0.00 34.83 33.77 2bn4 s MET 92 CO 0.04 -1.00 0.48 0.00 -0.65 0.00 0.00 175.02 173.89 2bn4 s ALA 94 N 1.89 2.50 -0.30 0.00 0.00 0.08 -4.96 121.76 120.97 2bn4 s ALA 94 Ca 0.06 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 2bn4 s ALA 94 Cb -0.25 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2bn4 s ALA 94 CO 0.07 0.40 1.19 0.34 0.00 0.00 0.00 175.76 177.76 2bn4 s ASP 95 N -2.72 6.83 0.00 0.00 3.68 -1.26 -2.09 116.67 121.11 2bn4 s ASP 95 Ca 0.21 1.18 0.00 0.00 2.13 0.00 0.00 52.55 56.07 2bn4 s ASP 95 Cb -0.08 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.85 2bn4 s ASP 95 CO 0.10 -0.95 0.10 0.55 0.13 0.00 0.00 175.17 175.10 2bn4 n VAL 96 N 5.96 0.00 -0.02 1.11 3.14 -0.26 -1.12 118.33 127.14 2bn4 n VAL 96 Ca 0.13 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.54 2bn4 n VAL 96 Cb 0.47 -0.61 -0.10 0.00 -1.06 0.00 0.00 33.84 32.53 2bn4 n VAL 96 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2bn4 n GLU 97 N -0.57 0.89 0.12 1.45 4.07 -1.26 -4.56 120.64 120.77 2bn4 n GLU 97 Ca 0.00 -0.09 0.04 0.00 -0.06 0.00 0.00 57.16 57.05 2bn4 n GLU 97 Cb 0.00 -1.31 0.01 0.00 -0.06 0.00 0.00 31.44 30.08 2bn4 n GLU 97 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2bn4 h ASN 98 N 0.00 0.00 -0.88 4.31 2.35 -1.46 -3.48 115.58 116.42 2bn4 h ASN 98 Ca -0.10 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.14 2bn4 h ASN 98 Cb 0.95 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.32 2bn4 h ASN 98 CO 0.01 0.40 -0.21 -0.31 -1.65 0.00 0.00 177.43 175.66 2bn4 s TYR 99 N -3.03 1.78 -0.18 1.19 1.51 -1.25 -4.87 117.35 112.51 2bn4 s TYR 99 Ca 0.02 -0.70 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2bn4 s TYR 99 Cb 0.08 -2.13 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 2bn4 s TYR 99 CO 0.76 -0.74 -0.19 0.34 -1.11 0.00 0.00 175.55 174.61 2bn4 s ASP 100 N -4.45 3.27 -0.36 2.29 -1.08 0.25 -4.97 116.67 111.62 2bn4 s ASP 100 Ca 0.51 -0.61 0.02 0.00 -0.52 0.00 0.00 52.55 51.95 2bn4 s ASP 100 Cb -0.05 -1.50 0.43 0.00 -1.46 0.00 0.00 42.92 40.34 2bn4 s ASP 100 CO 0.31 0.02 1.75 0.49 0.52 0.00 0.00 175.17 178.26 2bn4 n PHE 101 N 4.51 2.22 -0.06 -5.34 3.01 -1.26 -2.44 117.46 118.10 2bn4 n PHE 101 Ca -0.20 -1.72 -0.15 0.00 1.01 0.00 0.00 57.45 56.38 2bn4 n PHE 101 Cb 0.50 -0.86 -0.05 0.00 -0.01 0.00 0.00 39.48 39.06 2bn4 n PHE 101 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2bn4 h GLU 102 N 0.98 0.82 -0.90 -1.08 4.39 -1.96 -3.09 114.58 113.73 2bn4 h GLU 102 Ca 0.45 -0.55 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 2bn4 h GLU 102 Cb 1.94 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.64 2bn4 h GLU 102 CO 0.88 1.18 0.07 -1.13 -1.16 0.00 0.00 179.01 178.85 2bn4 n SER 103 N -4.04 2.86 0.00 1.42 3.41 -1.26 -4.51 113.62 111.50 2bn4 n SER 103 Ca -0.05 -2.40 -0.09 0.00 -0.26 0.00 0.00 58.87 56.06 2bn4 n SER 103 Cb 0.64 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2bn4 n SER 103 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2bn4 h LEU 104 N 1.29 -0.53 -2.38 1.04 6.46 -1.85 -1.58 115.31 117.76 2bn4 h LEU 104 Ca 0.07 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2bn4 h LEU 104 Cb 1.22 0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 41.39 2bn4 h LEU 104 CO 0.24 -0.22 0.15 -1.13 -0.62 0.00 0.00 178.44 176.86 2bn4 h ASN 105 N -0.22 0.00 0.28 1.25 -0.73 -1.87 0.16 115.58 114.44 2bn4 h ASN 105 Ca 0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2bn4 h ASN 105 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.95 2bn4 h ASN 105 CO -0.25 0.00 -0.01 0.47 -0.37 0.00 0.00 177.43 177.27 2bn4 n ASP 106 N -3.55 0.12 -4.72 1.15 8.00 -0.60 -4.71 116.55 112.24 2bn4 n ASP 106 Ca -0.00 -0.62 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 2bn4 n ASP 106 Cb 0.25 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 2bn4 n ASP 106 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bn4 s VAL 107 N -2.29 2.79 -1.89 2.53 1.01 0.56 -4.89 120.40 118.21 2bn4 s VAL 107 Ca 0.37 0.59 0.27 0.00 0.00 0.00 0.00 61.98 63.21 2bn4 s VAL 107 Cb 0.21 -3.38 0.33 0.00 0.00 0.00 0.00 36.38 33.55 2bn4 s VAL 107 CO 0.42 0.06 1.62 -2.65 0.00 0.00 0.00 175.10 174.55 2bn4 n PRO 108 N 3.54 0.99 -2.78 2.72 -0.02 -1.26 -4.92 135.00 133.27 2bn4 n PRO 108 Ca 0.11 -0.57 -0.14 0.00 -2.02 0.00 0.00 63.50 60.89 2bn4 n PRO 108 Cb 0.40 -1.49 -0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2bn4 n PRO 108 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2bn4 n VAL 109 N -0.51 0.00 -3.64 -1.45 0.24 -1.26 -5.07 118.33 106.65 2bn4 n VAL 109 Ca 0.14 -1.14 -0.35 0.00 -2.04 0.00 0.00 64.34 60.95 2bn4 n VAL 109 Cb 0.35 -0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 32.46 2bn4 n VAL 109 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2bn4 s ILE 110 N -1.46 5.17 -0.06 1.34 1.01 -1.26 -4.64 121.20 121.30 2bn4 s ILE 110 Ca 0.14 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.24 2bn4 s ILE 110 Cb -0.01 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 2bn4 s ILE 110 CO 0.09 0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 174.51 2bn4 s VAL 111 N -1.30 2.53 -0.18 2.92 1.01 0.25 -2.69 120.40 122.94 2bn4 s VAL 111 Ca 0.29 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2bn4 s VAL 111 Cb -0.14 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2bn4 s VAL 111 CO 0.16 0.57 0.03 -0.44 0.00 0.00 0.00 175.10 175.43 2bn4 s SER 112 N -0.36 5.31 -0.17 3.32 0.01 0.21 -1.46 113.70 120.55 2bn4 s SER 112 Ca 0.03 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 2bn4 s SER 112 Cb -0.12 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2bn4 s SER 112 CO 0.02 0.15 -0.15 -0.63 0.41 0.00 0.00 173.24 173.04 2bn4 s ILE 113 N 0.52 2.63 -0.34 1.44 1.01 -0.93 0.72 121.20 126.24 2bn4 s ILE 113 Ca 0.01 -0.77 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 2bn4 s ILE 113 Cb -0.13 -2.13 0.08 0.00 0.01 0.00 0.00 42.46 40.29 2bn4 s ILE 113 CO 0.02 0.50 0.07 -0.36 0.00 0.00 0.00 174.94 175.17 2bn4 s PHE 114 N 1.06 3.48 0.06 3.97 0.40 0.97 -0.93 117.98 126.99 2bn4 s PHE 114 Ca -0.01 -2.34 0.08 0.00 -0.60 0.00 0.00 56.93 54.06 2bn4 s PHE 114 Cb -0.15 -2.64 -0.03 0.00 0.51 0.00 0.00 43.02 40.71 2bn4 s PHE 114 CO -0.04 -0.90 -0.21 -1.50 0.70 0.00 0.00 175.22 173.27 2bn4 s ILE 115 N 1.13 1.70 0.42 0.64 2.07 -0.87 -0.14 121.20 126.15 2bn4 s ILE 115 Ca 0.02 -1.27 0.08 0.00 -1.41 0.00 0.00 60.65 58.07 2bn4 s ILE 115 Cb -0.21 -1.49 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 2bn4 s ILE 115 CO -0.04 0.16 0.36 -0.44 -1.91 0.00 0.00 174.94 173.08 2bn4 s SER 116 N -1.32 4.97 -0.04 4.50 0.01 -1.06 -1.06 113.70 119.71 2bn4 s SER 116 Ca 0.07 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 56.60 2bn4 s SER 116 Cb -0.09 -0.52 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 2bn4 s SER 116 CO 0.02 -0.66 -0.23 -0.89 0.41 0.00 0.00 173.24 171.89 2bn4 s THR 117 N -2.50 2.31 0.08 1.44 2.01 -1.09 -4.42 115.64 113.48 2bn4 s THR 117 Ca 0.47 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2bn4 s THR 117 Cb -0.02 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 2bn4 s THR 117 CO 0.27 0.58 0.07 -1.22 -0.69 0.00 0.00 174.62 173.63 2bn4 n TYR 118 N 2.55 -0.18 0.00 4.92 4.02 0.86 -4.94 117.16 124.40 2bn4 n TYR 118 Ca -0.17 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.06 2bn4 n TYR 118 Cb 0.52 0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 2bn4 n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bn4 n GLY 119 N -0.06 1.89 2.80 2.72 0.00 -1.26 0.09 105.19 111.36 2bn4 n GLY 119 Ca 0.02 0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2bn4 n GLY 119 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bn4 n GLU 120 N 10.89 3.64 -0.30 1.61 4.07 -1.26 -4.60 120.64 134.69 2bn4 n GLU 120 Ca 0.00 -4.78 0.00 0.00 -0.06 0.00 0.00 57.16 52.32 2bn4 n GLU 120 Cb 0.00 -2.30 0.00 0.00 -0.06 0.00 0.00 31.44 29.08 2bn4 n GLU 120 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bn4 n GLY 121 N 0.05 1.11 3.86 8.31 0.00 0.02 -4.99 105.19 113.54 2bn4 n GLY 121 Ca 0.34 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2bn4 n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bn4 s ASP 122 N -2.23 6.71 0.35 1.61 1.11 0.11 -3.91 116.67 120.42 2bn4 s ASP 122 Ca 0.00 0.99 -0.23 0.00 0.18 0.00 0.00 52.55 53.50 2bn4 s ASP 122 Cb 0.00 -2.25 -0.10 0.00 1.07 0.00 0.00 42.92 41.64 2bn4 s ASP 122 CO 0.00 0.00 0.90 -0.36 1.18 0.00 0.00 175.17 176.90 2bn4 s PHE 123 N -1.67 3.52 0.39 4.23 0.40 -1.26 -0.10 117.98 123.49 2bn4 s PHE 123 Ca 0.43 1.63 -0.25 0.00 -0.60 0.00 0.00 56.93 58.15 2bn4 s PHE 123 Cb -0.13 -2.83 -0.12 0.00 0.51 0.00 0.00 43.02 40.45 2bn4 s PHE 123 CO 0.20 0.10 0.89 -2.30 0.70 0.00 0.00 175.22 174.81 2bn4 n PRO 124 N 0.07 1.13 -0.64 0.24 -0.02 -1.26 -4.84 135.00 129.67 2bn4 n PRO 124 Ca 0.03 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.61 2bn4 n PRO 124 Cb 0.52 -1.85 0.19 0.00 -0.02 0.00 0.00 33.50 32.34 2bn4 n PRO 124 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2bn4 n ASP 125 N 0.87 -1.74 -3.96 2.55 10.43 -1.26 -3.13 116.55 120.31 2bn4 n ASP 125 Ca 0.10 0.04 -0.29 0.00 2.57 0.00 0.00 54.79 57.22 2bn4 n ASP 125 Cb 0.37 -1.17 0.00 0.00 1.84 0.00 0.00 41.12 42.16 2bn4 n ASP 125 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bn4 n GLY 126 N 1.37 -0.38 1.79 0.44 0.00 -1.26 -4.67 105.19 102.48 2bn4 n GLY 126 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2bn4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn4 n ALA 127 N -4.48 -1.51 -0.08 4.61 0.00 -1.18 -4.48 120.51 113.39 2bn4 n ALA 127 Ca -0.09 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 2bn4 n ALA 127 Cb 0.58 -0.61 -0.15 0.00 0.00 0.00 0.00 19.45 19.28 2bn4 n ALA 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2bn4 n VAL 128 N -0.25 1.50 0.13 0.00 0.31 -1.26 -3.60 118.33 115.16 2bn4 n VAL 128 Ca -0.06 -0.77 -0.17 0.00 -0.01 0.00 0.00 64.34 63.34 2bn4 n VAL 128 Cb 0.56 -0.91 -0.10 0.00 -0.91 0.00 0.00 33.84 32.49 2bn4 n VAL 128 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2bn4 h ASN 129 N 0.01 -1.57 -0.51 4.52 2.35 -1.92 0.94 115.58 119.40 2bn4 h ASN 129 Ca -0.48 0.16 0.09 0.00 -0.55 0.00 0.00 56.30 55.53 2bn4 h ASN 129 Cb 2.11 0.57 -0.10 0.00 0.05 0.00 0.00 38.32 40.95 2bn4 h ASN 129 CO 0.03 -0.57 -0.34 0.15 -1.65 0.00 0.00 177.43 175.05 2bn4 h PHE 130 N -0.77 -0.94 -0.45 1.19 3.57 -1.82 0.37 116.94 118.08 2bn4 h PHE 130 Ca -0.01 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.63 2bn4 h PHE 130 Cb 0.77 0.49 -0.06 0.00 2.79 0.00 0.00 35.95 39.94 2bn4 h PHE 130 CO -0.44 -0.39 0.10 1.49 -2.23 0.00 0.00 178.31 176.85 2bn4 h GLU 131 N -0.21 0.23 0.54 1.11 4.81 -1.28 0.16 114.58 119.95 2bn4 h GLU 131 Ca 0.20 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2bn4 h GLU 131 Cb 0.55 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.88 2bn4 h GLU 131 CO -0.62 0.15 -0.26 -0.44 -0.73 0.00 0.00 179.01 177.11 2bn4 h ASP 132 N 0.24 -0.62 -0.34 1.04 3.32 0.28 0.17 116.42 120.50 2bn4 h ASP 132 Ca 0.22 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.33 2bn4 h ASP 132 Cb 0.28 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 2bn4 h ASP 132 CO -0.28 -0.44 -0.20 0.33 -1.72 0.00 0.00 179.24 176.92 2bn4 n PHE 133 N -3.97 -0.15 -0.07 4.55 7.35 0.11 0.08 117.46 125.36 2bn4 n PHE 133 Ca -0.09 0.43 -0.07 0.00 -0.76 0.00 0.00 57.45 56.96 2bn4 n PHE 133 Cb 0.29 -0.51 -0.01 0.00 0.35 0.00 0.00 39.48 39.60 2bn4 n PHE 133 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2bn4 h ILE 134 N 0.00 0.48 0.00 -2.13 2.04 -1.00 0.44 117.51 117.34 2bn4 h ILE 134 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2bn4 h ILE 134 Cb 0.14 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2bn4 h ILE 134 CO -0.32 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.83 2bn4 n ASN 136 N -1.08 3.14 -4.36 0.00 3.02 0.11 -5.02 115.26 111.07 2bn4 n ASN 136 Ca 0.08 -0.02 -0.56 0.00 -0.03 0.00 0.00 54.58 54.05 2bn4 n ASN 136 Cb 0.06 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 2bn4 n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bn4 n ALA 137 N -2.76 -3.50 -1.46 5.41 0.00 0.12 -4.93 120.51 113.40 2bn4 n ALA 137 Ca -0.11 0.57 -0.07 0.00 0.00 0.00 0.00 53.44 53.83 2bn4 n ALA 137 Cb 0.62 -1.69 0.06 0.00 0.00 0.00 0.00 19.45 18.43 2bn4 n ALA 137 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2bn4 n GLU 138 N 1.41 -0.25 -1.59 0.00 4.07 -1.26 -4.69 120.64 118.32 2bn4 n GLU 138 Ca 0.19 -0.65 -0.42 0.00 -0.06 0.00 0.00 57.16 56.22 2bn4 n GLU 138 Cb 0.09 -0.37 0.00 0.00 -0.06 0.00 0.00 31.44 31.10 2bn4 n GLU 138 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bn4 n ALA 139 N -3.21 -0.04 -1.18 4.31 0.00 -1.26 -2.09 120.51 117.04 2bn4 n ALA 139 Ca -0.06 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 2bn4 n ALA 139 Cb 0.17 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 2bn4 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bn4 n GLY 140 N 1.23 0.75 0.01 0.00 0.00 -1.15 -4.78 105.19 101.25 2bn4 n GLY 140 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.26 2bn4 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn4 n ALA 141 N 0.01 2.54 -1.59 4.61 0.00 -0.28 -3.24 120.51 122.56 2bn4 n ALA 141 Ca -0.08 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.24 2bn4 n ALA 141 Cb 0.28 -1.48 0.06 0.00 0.00 0.00 0.00 19.45 18.30 2bn4 n ALA 141 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bn4 n LEU 142 N -1.21 0.99 -0.20 0.00 4.77 0.41 -4.80 117.00 116.96 2bn4 n LEU 142 Ca 0.16 -1.87 0.19 0.00 -0.03 0.00 0.00 56.01 54.46 2bn4 n LEU 142 Cb 0.22 -0.18 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 2bn4 n LEU 142 CO 0.22 0.44 0.60 -1.54 -1.33 0.00 0.00 177.39 175.78 2bn4 n SER 143 N -0.60 0.16 -0.03 -1.43 3.41 -1.19 0.11 113.62 114.05 2bn4 n SER 143 Ca 0.07 0.85 0.13 0.00 -0.26 0.00 0.00 58.87 59.66 2bn4 n SER 143 Cb 0.67 -0.41 0.50 0.00 -0.26 0.00 0.00 64.21 64.71 2bn4 n SER 143 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2bn4 n ASN 144 N -4.07 0.26 -4.69 4.04 3.02 -1.26 -4.74 115.26 107.82 2bn4 n ASN 144 Ca 0.21 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 2bn4 n ASN 144 Cb 0.74 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 2bn4 n ASN 144 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2bn4 s LEU 145 N -2.87 4.28 -0.21 3.41 2.96 0.29 -4.98 118.68 121.56 2bn4 s LEU 145 Ca 0.17 1.77 -0.02 0.00 -0.22 0.00 0.00 54.13 55.83 2bn4 s LEU 145 Cb 0.19 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.33 2bn4 s LEU 145 CO 0.57 -0.54 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.83 2bn4 s ARG 146 N 2.06 3.13 0.14 1.98 0.52 -1.26 -0.32 118.95 125.20 2bn4 s ARG 146 Ca 0.55 -0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 54.91 2bn4 s ARG 146 Cb -0.24 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 2bn4 s ARG 146 CO 0.22 -0.25 0.23 1.52 0.02 0.00 0.00 175.30 177.04 2bn4 s TYR 147 N 1.38 0.39 0.04 -0.53 1.13 -0.87 -0.58 117.35 118.31 2bn4 s TYR 147 Ca 0.04 -0.78 0.02 0.00 -1.41 0.00 0.00 57.07 54.95 2bn4 s TYR 147 Cb -0.14 -0.11 -0.02 0.00 -1.10 0.00 0.00 41.96 40.58 2bn4 s TYR 147 CO -0.07 -0.65 -0.08 0.54 -2.51 0.00 0.00 175.55 172.79 2bn4 s ASN 148 N -2.95 0.84 0.02 -0.18 2.20 -0.54 0.12 114.94 114.45 2bn4 s ASN 148 Ca 0.15 -0.57 -0.01 0.00 -0.94 0.00 0.00 52.86 51.49 2bn4 s ASN 148 Cb 0.04 0.04 -0.02 0.00 -2.00 0.00 0.00 41.25 39.32 2bn4 s ASN 148 CO -0.03 -0.22 -0.00 -0.32 -2.94 0.00 0.00 177.10 173.59 2bn4 s MET 149 N -1.67 0.31 -0.14 3.55 1.75 -1.26 -2.20 119.30 119.64 2bn4 s MET 149 Ca -0.09 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.81 2bn4 s MET 149 Cb -0.09 0.12 0.02 0.00 2.84 0.00 0.00 34.83 37.72 2bn4 s MET 149 CO 0.00 -0.06 -0.13 0.12 -0.65 0.00 0.00 175.02 174.30 2bn4 s PHE 150 N -1.35 2.06 -0.23 4.11 5.36 -0.10 -1.45 117.98 126.38 2bn4 s PHE 150 Ca -0.15 -1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 54.66 2bn4 s PHE 150 Cb -0.09 -1.54 0.03 0.00 -0.34 0.00 0.00 43.02 41.08 2bn4 s PHE 150 CO -0.01 -0.65 -0.09 0.20 -1.46 0.00 0.00 175.22 173.21 2bn4 s GLY 151 N 1.52 1.58 0.20 13.12 0.00 0.25 -2.05 107.32 121.94 2bn4 s GLY 151 Ca 0.05 -1.42 -0.26 0.00 0.00 0.00 0.00 44.72 43.09 2bn4 s GLY 151 CO -0.10 0.47 0.82 1.08 0.00 0.00 0.00 173.10 175.37 2bn4 s LEU 152 N 1.30 4.56 0.00 0.66 1.02 -0.22 -1.18 118.68 124.82 2bn4 s LEU 152 Ca 0.01 1.70 -0.07 0.00 0.02 0.00 0.00 54.13 55.79 2bn4 s LEU 152 Cb -0.16 -3.44 0.02 0.00 0.02 0.00 0.00 46.19 42.63 2bn4 s LEU 152 CO -0.06 0.16 0.33 0.61 0.02 0.00 0.00 176.35 177.41 2bn4 n GLY 153 N 1.40 1.34 2.66 -3.19 0.00 -0.36 -2.67 105.19 104.38 2bn4 n GLY 153 Ca -0.04 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 2bn4 n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bn4 s ASN 154 N -1.82 2.05 0.00 1.61 3.84 -1.26 0.12 114.94 119.48 2bn4 s ASN 154 Ca 0.07 -0.53 0.00 0.00 0.21 0.00 0.00 52.86 52.61 2bn4 s ASN 154 Cb -0.01 0.02 0.00 0.00 -0.55 0.00 0.00 41.25 40.71 2bn4 s ASN 154 CO 0.03 -0.35 0.32 -1.54 -2.79 0.00 0.00 177.10 172.77 2bn4 n SER 155 N 5.29 0.00 -0.36 -4.21 3.41 -1.26 -1.85 113.62 114.65 2bn4 n SER 155 Ca -0.06 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 2bn4 n SER 155 Cb 0.48 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.87 2bn4 n SER 155 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2bn4 n THR 156 N -0.81 0.00 -4.06 6.66 5.66 -1.26 -4.83 114.28 115.63 2bn4 n THR 156 Ca 0.00 -0.19 -0.22 0.00 -3.05 0.00 0.00 64.05 60.60 2bn4 n THR 156 Cb 0.00 0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 69.19 2bn4 n THR 156 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 2bn4 s TYR 157 N -2.28 2.96 0.89 1.09 1.51 -0.77 -4.27 117.35 116.47 2bn4 s TYR 157 Ca 0.30 -0.20 -0.12 0.00 -1.01 0.00 0.00 57.07 56.04 2bn4 s TYR 157 Cb 0.20 -1.49 0.13 0.00 -0.11 0.00 0.00 41.96 40.68 2bn4 s TYR 157 CO 0.44 0.43 1.12 -1.21 -1.11 0.00 0.00 175.55 175.23 2bn4 s GLU 158 N -3.86 1.31 -0.76 -0.62 0.41 -1.26 -4.10 118.70 109.82 2bn4 s GLU 158 Ca 0.35 0.39 -0.01 0.00 -0.41 0.00 0.00 54.97 55.30 2bn4 s GLU 158 Cb -0.07 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.44 2bn4 s GLU 158 CO 0.24 -2.10 0.67 1.19 -0.49 0.00 0.00 175.26 174.77 2bn4 n PHE 159 N -3.72 -2.71 -2.50 1.61 3.01 -1.26 -4.83 117.46 107.06 2bn4 n PHE 159 Ca 0.07 1.05 -0.43 0.00 1.01 0.00 0.00 57.45 59.15 2bn4 n PHE 159 Cb 0.58 -3.70 -0.02 0.00 -0.01 0.00 0.00 39.48 36.33 2bn4 n PHE 159 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2bn4 s PHE 160 N -2.98 3.10 -1.34 1.38 5.99 -1.26 -3.15 117.98 119.73 2bn4 s PHE 160 Ca 0.01 1.21 -0.03 0.00 0.00 0.00 0.00 56.93 58.12 2bn4 s PHE 160 Cb -0.00 -3.41 0.02 0.00 0.00 0.00 0.00 43.02 39.63 2bn4 s PHE 160 CO 0.80 -1.22 0.24 -1.71 -0.00 0.00 0.00 175.22 173.33 2bn4 n ASN 161 N 5.98 -4.69 -0.28 6.13 4.05 -1.26 -4.86 115.26 120.33 2bn4 n ASN 161 Ca 0.12 -0.08 -0.00 0.00 0.45 0.00 0.00 54.58 55.07 2bn4 n ASN 161 Cb 0.46 -3.89 0.13 0.00 1.23 0.00 0.00 39.78 37.70 2bn4 n ASN 161 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2bn4 h GLY 162 N -0.52 1.17 0.02 8.20 0.00 -1.89 -0.11 103.07 109.94 2bn4 h GLY 162 Ca -0.41 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.59 2bn4 h GLY 162 CO 0.48 0.21 -0.19 0.00 0.00 0.00 0.00 176.54 177.04 2bn4 h ALA 163 N 1.39 -0.69 -0.26 3.60 0.00 -1.81 0.37 119.26 121.86 2bn4 h ALA 163 Ca 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2bn4 h ALA 163 Cb 0.19 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2bn4 h ALA 163 CO -0.18 -0.74 0.12 0.00 0.00 0.00 0.00 179.25 178.45 2bn4 h ALA 164 N -1.14 1.71 0.54 0.00 0.00 -1.78 0.84 119.26 119.43 2bn4 h ALA 164 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2bn4 h ALA 164 Cb 0.27 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2bn4 h ALA 164 CO -0.12 0.24 -0.26 0.87 0.00 0.00 0.00 179.25 179.98 2bn4 h LYS 165 N 0.37 -0.70 0.21 0.00 1.57 -0.23 -2.13 116.57 115.66 2bn4 h LYS 165 Ca 0.09 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2bn4 h LYS 165 Cb 0.06 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2bn4 h LYS 165 CO -0.01 -0.46 -0.25 -0.22 -0.57 0.00 0.00 179.45 177.94 2bn4 h LYS 166 N -0.75 -0.49 -0.96 3.15 3.64 0.17 -2.44 116.57 118.89 2bn4 h LYS 166 Ca -0.07 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 59.59 2bn4 h LYS 166 Cb 0.57 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 2bn4 h LYS 166 CO 0.12 -0.33 0.65 0.00 -2.27 0.00 0.00 179.45 177.63 2bn4 h ALA 167 N 0.18 2.49 -0.00 5.00 0.00 -0.81 0.40 119.26 126.52 2bn4 h ALA 167 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2bn4 h ALA 167 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2bn4 h ALA 167 CO -0.08 -0.80 -0.43 -1.91 0.00 0.00 0.00 179.25 176.03 2bn4 n GLU 168 N -4.43 0.04 -0.06 0.00 0.00 -0.81 -1.99 120.64 113.39 2bn4 n GLU 168 Ca 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 57.16 57.20 2bn4 n GLU 168 Cb 0.87 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.68 2bn4 n GLU 168 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2bn4 h LYS 169 N 0.05 0.03 0.67 5.31 3.64 0.23 -2.98 116.57 123.51 2bn4 h LYS 169 Ca 0.00 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2bn4 h LYS 169 Cb 0.50 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2bn4 h LYS 169 CO 0.00 1.02 -0.32 0.45 -2.27 0.00 0.00 179.45 178.33 2bn4 h HIS 170 N -0.95 -0.83 -0.96 1.91 3.86 -1.37 -2.40 115.15 114.41 2bn4 h HIS 170 Ca -0.02 -0.02 0.31 0.00 -1.16 0.00 0.00 60.37 59.48 2bn4 h HIS 170 Cb 1.06 0.27 -0.17 0.00 1.06 0.00 0.00 27.41 29.64 2bn4 h HIS 170 CO 0.27 -0.48 0.27 -0.07 0.86 0.00 0.00 177.93 178.78 2bn4 h LEU 171 N -1.11 -0.05 0.35 2.43 3.38 -1.55 0.46 115.31 119.23 2bn4 h LEU 171 Ca -0.09 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2bn4 h LEU 171 Cb 0.72 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2bn4 h LEU 171 CO 0.15 -0.30 -0.28 -1.28 0.09 0.00 0.00 178.44 176.81 2bn4 h SER 172 N 0.09 -0.75 -0.79 -0.43 0.87 -1.35 -1.23 113.55 109.96 2bn4 h SER 172 Ca 0.67 0.05 0.22 0.00 -1.23 0.00 0.00 61.79 61.50 2bn4 h SER 172 Cb 1.51 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 63.67 2bn4 h SER 172 CO -0.78 -0.40 0.56 0.00 -0.53 0.00 0.00 176.83 175.69 2bn4 h ALA 173 N -1.37 2.66 0.00 6.23 0.00 -0.14 0.73 119.26 127.37 2bn4 h ALA 173 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bn4 h ALA 173 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2bn4 h ALA 173 CO 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 178.36 2bn4 n ALA 174 N -2.67 2.24 -1.02 0.00 0.00 0.13 -2.94 120.51 116.25 2bn4 n ALA 174 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 2bn4 n ALA 174 Cb 0.82 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.19 2bn4 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bn4 n GLY 175 N 0.26 0.48 3.91 0.00 0.00 0.25 0.16 105.19 110.25 2bn4 n GLY 175 Ca 0.04 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2bn4 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn4 s ALA 176 N -1.98 3.05 -0.29 4.61 0.00 -0.52 -3.81 121.76 122.81 2bn4 s ALA 176 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2bn4 s ALA 176 Cb 0.00 -2.77 0.06 0.00 0.00 0.00 0.00 23.12 20.41 2bn4 s ALA 176 CO 0.00 -1.16 -0.04 0.42 0.00 0.00 0.00 175.76 174.98 2bn4 s ILE 177 N -3.25 2.51 0.16 0.00 1.01 0.56 -4.60 121.20 117.59 2bn4 s ILE 177 Ca 0.58 -1.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 2bn4 s ILE 177 Cb -0.11 -2.53 -0.08 0.00 0.01 0.00 0.00 42.46 39.75 2bn4 s ILE 177 CO 0.47 -0.17 1.28 -0.60 0.00 0.00 0.00 174.94 175.93 2bn4 s ARG 178 N 1.13 4.41 -0.10 2.79 3.52 -1.25 -2.05 118.95 127.38 2bn4 s ARG 178 Ca -0.04 1.97 -0.05 0.00 -0.13 0.00 0.00 55.73 57.48 2bn4 s ARG 178 Cb -0.20 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2bn4 s ARG 178 CO -0.04 -0.25 -0.09 -0.07 -0.81 0.00 0.00 175.30 174.03 2bn4 h LEU 179 N 5.86 0.00 0.00 -0.88 3.38 0.56 -3.47 115.31 120.75 2bn4 h LEU 179 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2bn4 h LEU 179 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2bn4 h LEU 179 CO 0.79 0.54 0.00 0.61 0.09 0.00 0.00 178.44 180.47 2bn4 n GLY 180 N 1.71 1.81 3.91 0.83 0.00 -1.26 -5.05 105.19 107.14 2bn4 n GLY 180 Ca -0.04 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 2bn4 n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bn4 s LYS 181 N 3.69 3.58 -0.52 1.61 1.02 -1.26 -4.95 119.74 122.91 2bn4 s LYS 181 Ca 0.00 0.08 -0.25 0.00 0.02 0.00 0.00 55.97 55.82 2bn4 s LYS 181 Cb 0.00 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.85 2bn4 s LYS 181 CO 0.00 -0.03 0.95 -1.17 -0.92 0.00 0.00 175.35 174.18 2bn4 s LEU 182 N -4.31 4.03 0.25 3.17 2.96 -1.26 -4.59 118.68 118.93 2bn4 s LEU 182 Ca 0.46 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 2bn4 s LEU 182 Cb -0.10 -2.96 -0.09 0.00 0.50 0.00 0.00 46.19 43.53 2bn4 s LEU 182 CO 0.38 -1.19 1.32 -0.83 -1.32 0.00 0.00 176.35 174.71 2bn4 s GLY 183 N 2.67 2.63 -0.29 7.98 0.00 -0.53 -4.91 107.32 114.86 2bn4 s GLY 183 Ca 0.33 1.17 0.00 0.00 0.00 0.00 0.00 44.72 46.23 2bn4 s GLY 183 CO 0.22 2.02 0.05 -0.54 0.00 0.00 0.00 173.10 174.85 2bn4 s GLU 184 N -0.71 1.03 0.27 2.90 2.02 -1.26 0.86 118.70 123.81 2bn4 s GLU 184 Ca 0.54 -1.14 -0.26 0.00 0.02 0.00 0.00 54.97 54.13 2bn4 s GLU 184 Cb -0.38 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.41 2bn4 s GLU 184 CO 0.43 -0.87 0.88 0.00 0.02 0.00 0.00 175.26 175.73 2bn4 s ALA 185 N 1.46 3.31 -0.49 5.21 0.00 -0.33 -4.95 121.76 125.97 2bn4 s ALA 185 Ca 0.06 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.51 2bn4 s ALA 185 Cb -0.18 -3.10 0.13 0.00 0.00 0.00 0.00 23.12 19.97 2bn4 s ALA 185 CO -0.16 0.22 0.24 0.34 0.00 0.00 0.00 175.76 176.41 2bn4 s ASP 186 N -1.46 4.16 0.58 0.00 2.15 -1.25 -1.22 116.67 119.63 2bn4 s ASP 186 Ca 0.45 -2.87 0.34 0.00 0.43 0.00 0.00 52.55 50.90 2bn4 s ASP 186 Cb -0.21 -1.48 1.79 0.00 -0.30 0.00 0.00 42.92 42.73 2bn4 s ASP 186 CO 0.25 -0.25 2.18 -0.78 -0.17 0.00 0.00 175.17 176.41 2bn4 h ASP 187 N 6.61 0.00 -0.07 -0.34 3.58 0.61 -2.35 116.42 124.47 2bn4 h ASP 187 Ca -0.06 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.43 2bn4 h ASP 187 Cb 0.91 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.90 2bn4 h ASP 187 CO 0.63 0.05 -0.34 1.23 -2.88 0.00 0.00 179.24 177.92 2bn4 h GLY 188 N 0.62 -0.53 -0.27 -0.78 0.00 -1.86 -0.90 103.07 99.35 2bn4 h GLY 188 Ca -0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2bn4 h GLY 188 CO 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.32 2bn4 n ALA 189 N -2.83 2.56 -3.38 3.60 0.00 -0.93 -4.93 120.51 114.60 2bn4 n ALA 189 Ca -0.04 -0.37 -0.18 0.00 0.00 0.00 0.00 53.44 52.84 2bn4 n ALA 189 Cb 0.34 -1.18 0.08 0.00 0.00 0.00 0.00 19.45 18.68 2bn4 n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bn4 n GLY 190 N 1.02 -0.33 0.03 0.00 0.00 -0.34 -4.92 105.19 100.64 2bn4 n GLY 190 Ca 0.16 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2bn4 n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bn4 n THR 191 N -4.29 0.00 0.00 2.61 -2.24 -1.10 -4.87 114.28 104.39 2bn4 n THR 191 Ca -0.12 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2bn4 n THR 191 Cb 0.60 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2bn4 n THR 191 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2bn4 n THR 192 N -0.16 0.00 -0.13 4.28 -1.04 -1.25 0.65 114.28 116.63 2bn4 n THR 192 Ca 0.01 0.47 -0.05 0.00 -2.04 0.00 0.00 64.05 62.44 2bn4 n THR 192 Cb 0.02 -0.65 0.02 0.00 -1.82 0.00 0.00 70.33 67.90 2bn4 n THR 192 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2bn4 h ASP 193 N 0.00 -0.65 0.71 8.00 3.58 -1.96 0.31 116.42 126.41 2bn4 h ASP 193 Ca 0.00 0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 2bn4 h ASP 193 Cb 0.00 0.36 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2bn4 h ASP 193 CO 0.00 -0.22 -0.07 -0.08 -2.88 0.00 0.00 179.24 175.99 2bn4 h GLU 194 N -0.10 0.00 0.14 0.28 4.57 -1.30 0.28 114.58 118.46 2bn4 h GLU 194 Ca 0.21 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 58.10 2bn4 h GLU 194 Cb 0.42 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.03 2bn4 h GLU 194 CO -0.50 0.07 -1.26 -0.44 -1.18 0.00 0.00 179.01 175.69 2bn4 h ASP 195 N 0.00 0.57 -0.09 1.04 3.32 0.28 -3.07 116.42 118.46 2bn4 h ASP 195 Ca -0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 2bn4 h ASP 195 Cb 0.44 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2bn4 h ASP 195 CO 0.01 1.44 0.02 0.22 -1.72 0.00 0.00 179.24 179.21 2bn4 h TYR 196 N 0.12 0.16 -0.71 4.55 3.20 0.24 -2.16 116.97 122.38 2bn4 h TYR 196 Ca -0.16 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 61.84 2bn4 h TYR 196 Cb 1.97 -0.05 -0.11 0.00 1.54 0.00 0.00 36.73 40.09 2bn4 h TYR 196 CO 0.08 0.34 0.16 0.52 -1.64 0.00 0.00 178.16 177.62 2bn4 h MET 197 N -0.06 0.25 0.54 1.82 2.86 -1.03 0.35 114.93 119.66 2bn4 h MET 197 Ca 0.03 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2bn4 h MET 197 Cb 0.26 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.87 2bn4 h MET 197 CO 0.00 0.17 -0.26 0.00 1.06 0.00 0.00 176.91 177.88 2bn4 h ALA 198 N 1.59 -1.05 -0.79 6.32 0.00 -1.41 -1.43 119.26 122.49 2bn4 h ALA 198 Ca 0.40 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.34 2bn4 h ALA 198 Cb 0.67 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 2bn4 h ALA 198 CO -0.50 -1.00 0.12 2.35 0.00 0.00 0.00 179.25 180.22 2bn4 h TRP 199 N -0.81 0.16 -0.09 0.00 7.01 -1.14 -2.18 115.95 118.91 2bn4 h TRP 199 Ca -0.07 0.05 0.01 0.00 2.11 0.00 0.00 58.89 60.99 2bn4 h TRP 199 Cb 0.56 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 2bn4 h TRP 199 CO 0.08 -0.19 -0.23 -0.22 -2.79 0.00 0.00 178.44 175.08 2bn4 h LYS 200 N 0.18 -0.22 -0.76 2.65 3.64 -0.15 -1.35 116.57 120.56 2bn4 h LYS 200 Ca 0.46 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.96 2bn4 h LYS 200 Cb 0.84 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.58 2bn4 h LYS 200 CO -0.62 -0.15 -0.41 -0.44 -2.27 0.00 0.00 179.45 175.56 2bn4 h ASP 201 N -0.23 -1.47 -0.00 4.20 3.32 -0.63 0.12 116.42 121.72 2bn4 h ASP 201 Ca 0.02 0.27 0.01 0.00 0.02 0.00 0.00 57.03 57.35 2bn4 h ASP 201 Cb 0.28 0.71 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2bn4 h ASP 201 CO -0.20 -0.30 -0.20 -1.28 -1.72 0.00 0.00 179.24 175.53 2bn4 h SER 202 N -0.12 -0.63 -0.91 6.45 0.87 -1.15 -2.21 113.55 115.85 2bn4 h SER 202 Ca 0.24 0.07 0.18 0.00 -1.23 0.00 0.00 61.79 61.06 2bn4 h SER 202 Cb 0.56 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.68 2bn4 h SER 202 CO -0.81 -0.20 0.59 0.40 -0.53 0.00 0.00 176.83 176.28 2bn4 h ILE 203 N -0.25 0.73 -1.00 2.23 1.08 -0.82 0.19 117.51 119.66 2bn4 h ILE 203 Ca 0.00 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 2bn4 h ILE 203 Cb 0.27 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 2bn4 h ILE 203 CO -0.14 0.10 0.66 -0.07 -0.69 0.00 0.00 178.15 178.01 2bn4 h LEU 204 N 0.54 1.15 0.21 1.44 3.38 -0.32 0.67 115.31 122.38 2bn4 h LEU 204 Ca 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 2bn4 h LEU 204 Cb 1.00 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2bn4 h LEU 204 CO -0.21 0.84 -0.10 -0.33 0.09 0.00 0.00 178.44 178.73 2bn4 h GLU 205 N 1.36 -0.27 -0.60 1.13 4.39 -0.09 -2.24 114.58 118.25 2bn4 h GLU 205 Ca 0.37 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.15 2bn4 h GLU 205 Cb -0.15 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 2bn4 h GLU 205 CO -0.08 -0.04 0.30 0.28 -1.16 0.00 0.00 179.01 178.31 2bn4 h VAL 206 N -0.47 0.91 -0.41 3.13 2.07 -0.79 -1.48 116.25 119.21 2bn4 h VAL 206 Ca -0.03 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 2bn4 h VAL 206 Cb 0.36 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2bn4 h VAL 206 CO 0.05 0.10 0.04 -0.07 0.02 0.00 0.00 177.57 177.71 2bn4 h LEU 207 N 0.55 0.59 -0.97 2.57 3.38 -0.85 -1.56 115.31 119.02 2bn4 h LEU 207 Ca 0.28 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.26 2bn4 h LEU 207 Cb 0.23 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 2bn4 h LEU 207 CO -0.21 0.63 0.60 0.50 0.09 0.00 0.00 178.44 180.05 2bn4 h LYS 208 N 0.60 0.92 0.00 1.13 3.64 -0.64 -0.67 116.57 121.55 2bn4 h LYS 208 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2bn4 h LYS 208 Cb 0.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2bn4 h LYS 208 CO 0.01 0.61 0.00 -0.25 -2.27 0.00 0.00 179.45 177.54 2bn4 n ASP 209 N -4.65 0.00 -0.22 4.20 9.92 -0.80 -1.09 116.55 123.90 2bn4 n ASP 209 Ca 0.18 0.53 0.01 0.00 -0.53 0.00 0.00 54.79 54.98 2bn4 n ASP 209 Cb 0.34 -0.42 0.05 0.00 -0.64 0.00 0.00 41.12 40.45 2bn4 n ASP 209 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2bn4 n GLU 210 N -1.76 -0.10 0.00 -1.24 -0.58 -0.65 0.15 120.64 116.45 2bn4 n GLU 210 Ca 0.00 0.92 0.13 0.00 -0.42 0.00 0.00 57.16 57.79 2bn4 n GLU 210 Cb 0.00 -1.36 0.46 0.00 -0.57 0.00 0.00 31.44 29.97 2bn4 n GLU 210 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2bn4 n LEU 211 N -4.91 0.35 -3.56 -4.62 4.77 -0.26 -4.94 117.00 103.83 2bn4 n LEU 211 Ca 0.08 0.15 -0.26 0.00 -0.03 0.00 0.00 56.01 55.95 2bn4 n LEU 211 Cb 0.26 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2bn4 n LEU 211 CO -0.08 0.08 -0.04 1.41 -1.33 0.00 0.00 177.39 177.44 2bn4 n HIS 212 N -1.34 -2.09 -3.95 -1.77 8.25 0.40 -4.95 115.22 109.78 2bn4 n HIS 212 Ca 0.08 0.58 -0.36 0.00 -0.26 0.00 0.00 57.72 57.77 2bn4 n HIS 212 Cb 0.32 -3.61 -0.08 0.00 1.12 0.00 0.00 29.99 27.75 2bn4 n HIS 212 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2bn4 s LEU 213 N -6.09 4.11 0.09 2.41 1.43 -0.25 -5.04 118.68 115.34 2bn4 s LEU 213 Ca 0.45 0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 53.64 2bn4 s LEU 213 Cb -0.13 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 2bn4 s LEU 213 CO 0.83 0.31 0.57 -1.81 0.23 0.00 0.00 176.35 176.48 2bn4 s ASP 214 N -0.41 7.04 0.64 2.29 1.01 -1.26 -4.87 116.67 121.11 2bn4 s ASP 214 Ca 0.11 1.25 -0.04 0.00 0.71 0.00 0.00 52.55 54.58 2bn4 s ASP 214 Cb -0.12 -2.36 0.05 0.00 1.01 0.00 0.00 42.92 41.50 2bn4 s ASP 214 CO 0.02 0.25 0.93 -1.61 0.21 0.00 0.00 175.17 174.96 2bn4 s GLU 215 N -1.22 2.37 0.36 8.23 2.02 -1.26 -4.74 118.70 124.46 2bn4 s GLU 215 Ca 0.30 -0.40 -0.09 0.00 0.02 0.00 0.00 54.97 54.80 2bn4 s GLU 215 Cb -0.19 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 31.79 2bn4 s GLU 215 CO 0.19 -1.02 0.63 1.14 0.02 0.00 0.00 175.26 176.22 2bn4 s GLN 216 N -5.07 2.07 0.43 1.61 -2.07 -1.09 -5.03 119.66 110.51 2bn4 s GLN 216 Ca 0.59 -1.60 -0.22 0.00 -1.82 0.00 0.00 55.36 52.31 2bn4 s GLN 216 Cb -0.11 0.53 -0.10 0.00 -1.09 0.00 0.00 33.01 32.25 2bn4 s GLN 216 CO 0.43 -0.92 0.98 -2.00 -1.32 0.00 0.00 175.29 172.47 2bn4 s GLU 217 N -2.71 4.14 0.57 9.60 2.12 -1.26 -4.78 118.70 126.38 2bn4 s GLU 217 Ca 0.23 1.25 -0.21 0.00 0.36 0.00 0.00 54.97 56.61 2bn4 s GLU 217 Cb -0.03 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.06 2bn4 s GLU 217 CO 0.16 -0.12 1.30 0.00 -0.54 0.00 0.00 175.26 176.06 2bn4 s ALA 218 N -2.01 2.70 -0.30 6.30 0.00 -1.24 -4.63 121.76 122.59 2bn4 s ALA 218 Ca 0.62 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 53.64 2bn4 s ALA 218 Cb -0.13 -3.53 0.16 0.00 0.00 0.00 0.00 23.12 19.62 2bn4 s ALA 218 CO 0.18 -1.32 1.00 0.21 0.00 0.00 0.00 175.76 175.82 2bn4 s LYS 219 N -3.05 0.30 0.18 0.00 2.20 -0.70 -5.00 119.74 113.67 2bn4 s LYS 219 Ca 0.74 0.68 -0.31 0.00 -0.36 0.00 0.00 55.97 56.72 2bn4 s LYS 219 Cb -0.37 0.32 -0.10 0.00 -1.51 0.00 0.00 37.83 36.17 2bn4 s LYS 219 CO 0.42 -0.09 1.54 0.12 -0.36 0.00 0.00 175.35 176.98 2bn4 s PHE 220 N 2.08 3.06 -0.21 4.03 5.36 -1.26 -4.40 117.98 126.64 2bn4 s PHE 220 Ca -0.05 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 2bn4 s PHE 220 Cb -0.05 -3.90 0.05 0.00 -0.34 0.00 0.00 43.02 38.78 2bn4 s PHE 220 CO -0.16 -3.25 -0.06 0.99 -1.46 0.00 0.00 175.22 171.28 2bn4 s THR 221 N 0.96 1.45 0.26 0.12 2.01 -1.26 -5.11 115.64 114.07 2bn4 s THR 221 Ca 0.68 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 2bn4 s THR 221 Cb -0.43 -1.67 -0.10 0.00 0.01 0.00 0.00 72.50 70.30 2bn4 s THR 221 CO 0.33 -0.01 1.44 -0.55 -0.69 0.00 0.00 174.62 175.15 2bn4 s SER 222 N 1.45 6.63 0.00 3.53 0.15 -1.26 -4.87 113.70 119.33 2bn4 s SER 222 Ca -0.04 2.70 0.29 0.00 0.70 0.00 0.00 55.95 59.61 2bn4 s SER 222 Cb -0.18 -2.63 1.22 0.00 -1.71 0.00 0.00 66.02 62.73 2bn4 s SER 222 CO -0.07 -0.71 1.86 0.00 1.20 0.00 0.00 173.24 175.52 2bn4 n GLN 223 N 2.15 0.66 -2.61 5.44 6.02 -1.26 -4.87 117.38 122.91 2bn4 n GLN 223 Ca 0.06 -0.22 -0.07 0.00 -0.01 0.00 0.00 57.00 56.76 2bn4 n GLN 223 Cb 0.40 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 2bn4 n GLN 223 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2bn4 n PHE 224 N -0.98 0.22 -3.87 1.08 3.01 -1.26 -1.67 117.46 113.98 2bn4 n PHE 224 Ca 0.14 -0.59 -0.30 0.00 1.01 0.00 0.00 57.45 57.71 2bn4 n PHE 224 Cb 0.28 -0.06 -0.14 0.00 -0.01 0.00 0.00 39.48 39.55 2bn4 n PHE 224 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2bn4 s GLN 225 N -2.41 1.41 -0.32 -1.08 0.74 -0.44 -4.88 119.66 112.68 2bn4 s GLN 225 Ca 0.01 -1.94 -0.29 0.00 0.05 0.00 0.00 55.36 53.19 2bn4 s GLN 225 Cb 0.00 -2.79 -0.00 0.00 1.10 0.00 0.00 33.01 31.32 2bn4 s GLN 225 CO 0.01 -1.05 1.44 -0.47 -0.55 0.00 0.00 175.29 174.67 2bn4 s TYR 226 N 0.61 2.40 -0.33 1.67 5.04 -1.26 -3.45 117.35 122.03 2bn4 s TYR 226 Ca 0.14 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 2bn4 s TYR 226 Cb -0.22 -4.08 0.10 0.00 0.35 0.00 0.00 41.96 38.12 2bn4 s TYR 226 CO -0.07 -2.15 0.10 0.95 -1.34 0.00 0.00 175.55 173.04 2bn4 s THR 227 N 5.08 1.22 0.71 4.34 -4.23 -1.24 -5.03 115.64 116.50 2bn4 s THR 227 Ca 0.63 -1.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.26 2bn4 s THR 227 Cb -0.18 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.70 2bn4 s THR 227 CO 0.28 -0.68 0.41 0.52 -0.54 0.00 0.00 174.62 174.62 2bn4 n VAL 228 N 4.60 1.55 -4.14 2.29 0.31 -1.26 -3.67 118.33 118.01 2bn4 n VAL 228 Ca 0.00 -0.41 -0.07 0.00 -0.01 0.00 0.00 64.34 63.85 2bn4 n VAL 228 Cb 0.41 -0.64 -0.02 0.00 -0.91 0.00 0.00 33.84 32.69 2bn4 n VAL 228 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2bn4 n LEU 229 N 0.13 0.00 0.07 7.52 4.77 -1.04 -4.92 117.00 123.54 2bn4 n LEU 229 Ca 0.09 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2bn4 n LEU 229 Cb 0.50 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2bn4 n LEU 229 CO 0.51 -0.11 -0.08 -0.46 -1.33 0.00 0.00 177.39 175.92 2bn4 n ASN 230 N -1.71 0.21 -4.40 -1.43 6.94 -1.26 -4.51 115.26 109.10 2bn4 n ASN 230 Ca -0.02 0.22 -0.45 0.00 -0.02 0.00 0.00 54.58 54.31 2bn4 n ASN 230 Cb 0.15 0.07 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 2bn4 n ASN 230 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2bn4 s GLU 231 N -2.00 3.34 -0.80 -3.83 0.41 -1.26 -4.95 118.70 109.61 2bn4 s GLU 231 Ca 0.00 -1.63 -0.28 0.00 -0.41 0.00 0.00 54.97 52.65 2bn4 s GLU 231 Cb 0.00 -4.51 -0.17 0.00 -1.78 0.00 0.00 34.13 27.67 2bn4 s GLU 231 CO 0.00 -1.61 2.56 1.51 -0.49 0.00 0.00 175.26 177.23 2bn4 n ILE 232 N 5.28 -0.03 -2.19 -1.63 0.13 -1.26 -4.92 119.36 114.73 2bn4 n ILE 232 Ca 0.07 -0.35 -0.27 0.00 -1.10 0.00 0.00 62.75 61.10 2bn4 n ILE 232 Cb 0.46 -1.41 0.12 0.00 -0.84 0.00 0.00 39.64 37.97 2bn4 n ILE 232 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 2bn4 s THR 233 N 10.03 2.12 -2.04 9.51 2.01 -1.26 -4.97 115.64 131.04 2bn4 s THR 233 Ca 1.20 -0.25 0.22 0.00 0.31 0.00 0.00 61.69 63.17 2bn4 s THR 233 Cb -0.79 -2.88 0.55 0.00 0.01 0.00 0.00 72.50 69.40 2bn4 s THR 233 CO 0.39 0.00 1.47 0.47 -0.69 0.00 0.00 174.62 176.26 2bn4 n ASP 234 N -3.23 3.72 -0.47 3.53 9.92 -1.26 -3.67 116.55 125.10 2bn4 n ASP 234 Ca 0.13 -1.99 0.12 0.00 -0.53 0.00 0.00 54.79 52.52 2bn4 n ASP 234 Cb 0.60 -0.39 0.21 0.00 -0.64 0.00 0.00 41.12 40.90 2bn4 n ASP 234 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2bn4 n SER 235 N 1.51 1.74 -1.90 -2.24 7.64 -1.26 -2.71 113.62 116.40 2bn4 n SER 235 Ca 0.22 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.74 2bn4 n SER 235 Cb 0.60 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2bn4 n SER 235 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2bn4 n MET 236 N -0.04 1.37 -4.55 1.43 2.81 -1.24 -4.67 117.12 112.23 2bn4 n MET 236 Ca 0.12 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.80 2bn4 n MET 236 Cb 0.43 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.79 2bn4 n MET 236 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2bn4 s SER 237 N -0.97 1.57 -0.04 7.83 0.15 -0.32 -4.78 113.70 117.14 2bn4 s SER 237 Ca 0.00 -0.28 0.12 0.00 0.70 0.00 0.00 55.95 56.49 2bn4 s SER 237 Cb 0.00 -0.16 0.36 0.00 -1.71 0.00 0.00 66.02 64.51 2bn4 s SER 237 CO 0.00 0.14 1.29 0.18 1.20 0.00 0.00 173.24 176.05 2bn4 n LEU 238 N 2.58 3.15 0.00 3.45 4.77 -1.26 -3.82 117.00 125.86 2bn4 n LEU 238 Ca -0.15 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 2bn4 n LEU 238 Cb 0.55 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2bn4 n LEU 238 CO 0.24 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 2bn4 n GLY 239 N 0.31 0.30 3.63 -0.72 0.00 -1.26 -4.64 105.19 102.81 2bn4 n GLY 239 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.62 2bn4 n GLY 239 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bn4 n GLU 240 N 0.00 1.19 0.00 1.61 4.71 -1.26 -4.82 120.64 122.06 2bn4 n GLU 240 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 2bn4 n GLU 240 Cb 0.00 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.34 2bn4 n GLU 240 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2bn4 n PRO 241 N 3.46 0.00 -1.97 3.49 -0.02 -1.26 -4.69 135.00 134.01 2bn4 n PRO 241 Ca 0.21 0.17 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 2bn4 n PRO 241 Cb 0.18 -0.93 0.04 0.00 -0.02 0.00 0.00 33.50 32.77 2bn4 n PRO 241 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2bn4 s SER 242 N -2.41 5.50 -0.25 2.55 1.04 -1.26 -4.57 113.70 114.29 2bn4 s SER 242 Ca 0.00 1.07 0.05 0.00 0.48 0.00 0.00 55.95 57.55 2bn4 s SER 242 Cb 0.00 -1.91 0.49 0.00 0.10 0.00 0.00 66.02 64.70 2bn4 s SER 242 CO 0.00 -1.28 1.52 0.00 0.98 0.00 0.00 173.24 174.47 2bn4 n ALA 243 N -2.93 4.20 -0.02 5.32 0.00 -1.26 -3.42 120.51 122.40 2bn4 n ALA 243 Ca 0.06 -1.72 0.05 0.00 0.00 0.00 0.00 53.44 51.83 2bn4 n ALA 243 Cb 0.57 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 2bn4 n ALA 243 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bn4 n HIS 244 N -0.26 0.00 -1.06 0.00 8.25 -1.26 -4.36 115.22 116.53 2bn4 n HIS 244 Ca 0.33 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.61 2bn4 n HIS 244 Cb 1.16 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 31.83 2bn4 n HIS 244 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bn4 n TYR 245 N -2.12 1.21 -4.30 4.41 4.02 -1.22 -4.67 117.16 114.49 2bn4 n TYR 245 Ca -0.07 -1.80 -0.33 0.00 -0.01 0.00 0.00 57.90 55.69 2bn4 n TYR 245 Cb 0.50 -1.13 -0.09 0.00 -0.02 0.00 0.00 39.34 38.61 2bn4 n TYR 245 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2bn4 s LEU 246 N -1.52 3.55 0.18 7.72 1.43 -1.26 -4.80 118.68 123.97 2bn4 s LEU 246 Ca 0.41 0.04 -0.21 0.00 -1.03 0.00 0.00 54.13 53.35 2bn4 s LEU 246 Cb 0.27 -1.98 0.11 0.00 0.03 0.00 0.00 46.19 44.62 2bn4 s LEU 246 CO -0.08 0.30 1.60 -0.65 0.23 0.00 0.00 176.35 177.76 2bn4 h PRO 247 N 4.53 -0.17 0.00 1.29 0.11 -1.87 0.67 132.00 136.55 2bn4 h PRO 247 Ca -0.49 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bn4 h PRO 247 Cb 1.18 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2bn4 h PRO 247 CO 0.57 -0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 2bn4 n SER 248 N -5.42 0.00 0.00 -2.05 3.41 -1.10 -4.76 113.62 103.70 2bn4 n SER 248 Ca 0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2bn4 n SER 248 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2bn4 n SER 248 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2bn4 n HIS 249 N -0.65 0.00 0.00 7.33 8.25 0.23 -5.07 115.22 125.31 2bn4 n HIS 249 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2bn4 n HIS 249 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2bn4 n HIS 249 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2bn4 n ASN 252 N -1.62 0.00 -2.67 0.41 5.03 -1.26 -4.97 115.26 110.18 2bn4 n ASN 252 Ca 0.00 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.41 2bn4 n ASN 252 Cb 0.20 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.93 2bn4 n ASN 252 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2bn4 n ARG 253 N 0.00 -4.05 -0.33 3.52 3.00 -1.26 -4.50 116.66 113.05 2bn4 n ARG 253 Ca 0.00 3.12 0.25 0.00 -0.01 0.00 0.00 57.85 61.21 2bn4 n ARG 253 Cb 0.00 -4.96 0.48 0.00 0.00 0.00 0.00 32.46 27.98 2bn4 n ARG 253 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2bn4 h ASN 254 N 3.79 0.28 -0.46 0.55 2.35 -2.01 0.51 115.58 120.60 2bn4 h ASN 254 Ca -0.35 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2bn4 h ASN 254 Cb 0.81 0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2bn4 h ASN 254 CO 0.04 -0.28 0.00 0.00 -1.65 0.00 0.00 177.43 175.54 2bn4 n ALA 255 N -2.41 3.55 -1.00 -0.83 0.00 -1.26 -4.98 120.51 113.57 2bn4 n ALA 255 Ca 0.32 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2bn4 n ALA 255 Cb 1.05 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2bn4 n ALA 255 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bn4 n ASP 256 N 0.52 0.00 0.00 0.00 9.92 0.18 -5.10 116.55 122.07 2bn4 n ASP 256 Ca 0.22 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 2bn4 n ASP 256 Cb 0.97 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 2bn4 n ASP 256 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bn4 n GLY 257 N 0.00 3.84 3.56 0.44 0.00 -1.26 -5.03 105.19 106.74 2bn4 n GLY 257 Ca 0.00 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2bn4 n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bn4 s ILE 258 N 3.84 3.68 0.12 -0.61 1.01 -1.26 -4.89 121.20 123.09 2bn4 s ILE 258 Ca 0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 60.65 59.87 2bn4 s ILE 258 Cb 0.00 -4.56 -0.17 0.00 0.01 0.00 0.00 42.46 37.74 2bn4 s ILE 258 CO 0.00 -1.48 1.15 1.67 0.00 0.00 0.00 174.94 176.28 2bn4 n GLN 259 N 8.94 0.87 0.00 2.79 7.27 0.20 -4.75 117.38 132.70 2bn4 n GLN 259 Ca 0.32 0.31 0.00 0.00 0.07 0.00 0.00 57.00 57.70 2bn4 n GLN 259 Cb 0.49 -1.81 0.00 0.00 2.41 0.00 0.00 30.24 31.33 2bn4 n GLN 259 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2bn4 n LEU 260 N 2.06 0.00 -1.39 1.69 4.77 -1.26 -2.08 117.00 120.80 2bn4 n LEU 260 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2bn4 n LEU 260 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2bn4 n LEU 260 CO 0.61 0.00 -0.41 0.61 -1.33 0.00 0.00 177.39 176.87 2bn4 n GLY 261 N 5.00 -4.28 3.69 -0.72 0.00 -1.26 -4.76 105.19 102.86 2bn4 n GLY 261 Ca 0.00 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 2bn4 n GLY 261 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bn4 n PRO 262 N -1.37 2.42 -4.38 1.61 -0.02 -1.26 -4.97 135.00 127.03 2bn4 n PRO 262 Ca 0.00 0.87 -0.34 0.00 -2.02 0.00 0.00 63.50 62.02 2bn4 n PRO 262 Cb 0.12 -2.68 -0.11 0.00 -0.02 0.00 0.00 33.50 30.81 2bn4 n PRO 262 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2bn4 s PHE 263 N 1.09 3.06 0.00 6.00 0.40 -1.26 -4.73 117.98 122.54 2bn4 s PHE 263 Ca 0.77 -0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.93 2bn4 s PHE 263 Cb -0.60 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 40.99 2bn4 s PHE 263 CO 0.36 0.07 0.00 -0.40 0.70 0.00 0.00 175.22 175.95 2bn4 n ASP 264 N 3.27 0.00 -0.53 1.36 3.85 0.53 -4.53 116.55 120.51 2bn4 n ASP 264 Ca -0.17 -0.71 0.43 0.00 -0.71 0.00 0.00 54.79 53.62 2bn4 n ASP 264 Cb 0.53 0.00 0.71 0.00 -1.35 0.00 0.00 41.12 41.01 2bn4 n ASP 264 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2bn4 h LEU 265 N 0.00 0.15 0.11 -2.12 3.38 -1.97 0.62 115.31 115.47 2bn4 h LEU 265 Ca 0.00 0.11 -0.30 0.00 0.09 0.00 0.00 57.88 57.78 2bn4 h LEU 265 Cb 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2bn4 h LEU 265 CO 0.00 -0.17 -1.48 0.77 0.09 0.00 0.00 178.44 177.65 2bn4 h SER 266 N 0.02 0.35 -2.45 -0.43 4.64 -1.96 -3.43 113.55 110.29 2bn4 h SER 266 Ca 0.88 -0.47 -0.45 0.00 -0.47 0.00 0.00 61.79 61.27 2bn4 h SER 266 Cb 3.02 -0.11 -0.37 0.00 -0.31 0.00 0.00 62.40 64.63 2bn4 h SER 266 CO -0.32 1.39 -0.73 -1.58 -0.87 0.00 0.00 176.83 174.72 2bn4 s GLN 267 N -2.63 0.34 0.32 4.77 0.74 0.21 -4.62 119.66 118.80 2bn4 s GLN 267 Ca -0.08 -0.56 -0.16 0.00 0.05 0.00 0.00 55.36 54.62 2bn4 s GLN 267 Cb 0.07 -0.96 -0.09 0.00 1.10 0.00 0.00 33.01 33.13 2bn4 s GLN 267 CO 0.85 -1.07 0.75 -1.25 -0.55 0.00 0.00 175.29 174.02 2bn4 s PRO 268 N 1.95 4.03 -0.29 1.67 0.04 -0.86 0.20 135.00 141.75 2bn4 s PRO 268 Ca 0.11 0.71 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 2bn4 s PRO 268 Cb -0.16 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 2bn4 s PRO 268 CO -0.26 0.16 0.45 -0.47 0.04 0.00 0.00 177.00 176.91 2bn4 s TYR 269 N -1.97 3.24 -0.19 0.56 5.04 0.23 -4.69 117.35 119.57 2bn4 s TYR 269 Ca 0.54 0.41 -0.29 0.00 -2.44 0.00 0.00 57.07 55.29 2bn4 s TYR 269 Cb -0.10 -2.70 -0.03 0.00 0.35 0.00 0.00 41.96 39.48 2bn4 s TYR 269 CO 0.17 -0.32 1.63 0.42 -1.34 0.00 0.00 175.55 176.11 2bn4 s ILE 270 N 2.21 3.67 0.16 3.14 1.01 -1.26 -1.83 121.20 128.30 2bn4 s ILE 270 Ca 0.18 0.76 0.11 0.00 0.00 0.00 0.00 60.65 61.70 2bn4 s ILE 270 Cb -0.16 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2bn4 s ILE 270 CO 0.10 -0.24 -0.25 0.00 0.00 0.00 0.00 174.94 174.55 2bn4 s ALA 271 N 5.04 2.44 -0.15 9.38 0.00 -0.73 -4.92 121.76 132.82 2bn4 s ALA 271 Ca 0.72 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 2bn4 s ALA 271 Cb -0.27 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2bn4 s ALA 271 CO 0.29 0.48 0.15 -1.25 0.00 0.00 0.00 175.76 175.43 2bn4 s PRO 272 N -2.36 3.76 -0.23 0.00 0.04 -1.26 -1.70 135.00 133.25 2bn4 s PRO 272 Ca 0.17 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 2bn4 s PRO 272 Cb -0.09 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 2bn4 s PRO 272 CO 0.08 0.58 1.21 0.42 0.04 0.00 0.00 177.00 179.33 2bn4 s ILE 273 N -0.46 4.35 -1.34 0.56 1.01 0.38 -1.11 121.20 124.59 2bn4 s ILE 273 Ca 0.13 1.60 0.21 0.00 0.00 0.00 0.00 60.65 62.59 2bn4 s ILE 273 Cb -0.12 -4.15 -0.15 0.00 0.01 0.00 0.00 42.46 38.05 2bn4 s ILE 273 CO 0.02 -0.27 0.95 1.33 0.00 0.00 0.00 174.94 176.97 2bn4 n VAL 274 N 5.62 0.00 -3.63 2.92 0.24 0.69 -4.85 118.33 119.33 2bn4 n VAL 274 Ca 0.13 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.34 62.19 2bn4 n VAL 274 Cb 0.46 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.84 2bn4 n VAL 274 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2bn4 s LYS 275 N -2.79 0.82 -0.24 7.34 1.02 -1.21 -5.01 119.74 119.67 2bn4 s LYS 275 Ca 0.11 0.73 -0.21 0.00 0.02 0.00 0.00 55.97 56.63 2bn4 s LYS 275 Cb 0.16 0.40 0.06 0.00 -0.52 0.00 0.00 37.83 37.94 2bn4 s LYS 275 CO 0.76 -0.15 0.63 -1.54 -0.92 0.00 0.00 175.35 174.13 2bn4 s SER 276 N -0.04 -0.68 0.11 2.83 1.04 -1.26 -0.86 113.70 114.83 2bn4 s SER 276 Ca -0.03 1.29 -0.06 0.00 0.48 0.00 0.00 55.95 57.62 2bn4 s SER 276 Cb -0.04 1.28 -0.02 0.00 0.10 0.00 0.00 66.02 67.35 2bn4 s SER 276 CO 0.03 -0.22 0.16 0.00 0.98 0.00 0.00 173.24 174.19 2bn4 s ARG 277 N 0.50 0.89 0.54 4.02 1.70 -0.98 -4.82 118.95 120.80 2bn4 s ARG 277 Ca -0.01 -1.12 -0.08 0.00 -0.47 0.00 0.00 55.73 54.04 2bn4 s ARG 277 Cb -0.05 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 2bn4 s ARG 277 CO -0.02 -0.28 0.90 -2.00 -1.08 0.00 0.00 175.30 172.83 2bn4 s GLU 278 N -3.92 3.59 0.00 3.89 -6.30 -1.26 -2.11 118.70 112.58 2bn4 s GLU 278 Ca 0.11 0.48 0.00 0.00 -2.50 0.00 0.00 54.97 53.06 2bn4 s GLU 278 Cb 0.05 -2.23 0.00 0.00 0.00 0.00 0.00 34.13 31.95 2bn4 s GLU 278 CO -0.06 -0.37 0.02 1.28 0.02 0.00 0.00 175.26 176.15 2bn4 n LEU 279 N -2.44 0.04 -4.48 2.70 4.32 -0.36 -4.84 117.00 111.94 2bn4 n LEU 279 Ca 0.03 -0.34 -0.33 0.00 -0.02 0.00 0.00 56.01 55.36 2bn4 n LEU 279 Cb 0.55 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.22 2bn4 n LEU 279 CO 0.55 0.01 -0.43 -0.36 -1.22 0.00 0.00 177.39 175.94 2bn4 s PHE 280 N -0.59 2.79 -1.70 -1.77 2.99 -1.26 -4.72 117.98 113.71 2bn4 s PHE 280 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 56.93 56.78 2bn4 s PHE 280 Cb 0.00 -1.70 0.26 0.00 0.00 0.00 0.00 43.02 41.58 2bn4 s PHE 280 CO 0.00 0.13 1.15 0.43 -0.00 0.00 0.00 175.22 176.93 2bn4 n SER 281 N 2.59 1.79 -4.89 1.36 7.64 0.20 -4.91 113.62 117.40 2bn4 n SER 281 Ca -0.18 -2.08 -0.30 0.00 1.01 0.00 0.00 58.87 57.33 2bn4 n SER 281 Cb 0.52 -0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.50 2bn4 n SER 281 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2bn4 s SER 282 N -0.84 5.35 -0.23 6.43 0.15 -1.23 -4.96 113.70 118.38 2bn4 s SER 282 Ca 0.19 1.07 -0.07 0.00 0.70 0.00 0.00 55.95 57.84 2bn4 s SER 282 Cb 0.11 -1.84 -0.18 0.00 -1.71 0.00 0.00 66.02 62.40 2bn4 s SER 282 CO 0.11 -1.39 -0.08 0.59 1.20 0.00 0.00 173.24 173.68 2bn4 n ASN 283 N -3.02 1.99 -0.00 5.45 4.13 -1.26 -4.74 115.26 117.81 2bn4 n ASN 283 Ca 0.07 0.13 -0.00 0.00 1.68 0.00 0.00 54.58 56.46 2bn4 n ASN 283 Cb 0.58 -0.68 -0.00 0.00 -1.54 0.00 0.00 39.78 38.13 2bn4 n ASN 283 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 2bn4 h ASP 284 N -0.36 -0.00 -4.18 6.41 5.19 -2.00 -3.48 116.42 118.00 2bn4 h ASP 284 Ca -0.55 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.36 2bn4 h ASP 284 Cb 1.78 0.00 0.07 0.00 0.18 0.00 0.00 39.33 41.36 2bn4 h ASP 284 CO -0.15 0.03 0.38 0.00 -3.12 0.00 0.00 179.24 176.38 2bn4 s ARG 285 N -1.06 3.23 -0.01 3.56 1.70 -1.26 -5.08 118.95 120.02 2bn4 s ARG 285 Ca -0.00 1.29 -0.14 0.00 -0.47 0.00 0.00 55.73 56.41 2bn4 s ARG 285 Cb 0.00 -2.01 0.02 0.00 -0.57 0.00 0.00 34.95 32.39 2bn4 s ARG 285 CO 0.00 -0.90 0.29 -0.80 -1.08 0.00 0.00 175.30 172.82 2bn4 s ASN 286 N -2.61 -0.17 -0.11 -2.89 0.01 -1.26 -4.40 114.94 103.51 2bn4 s ASN 286 Ca 0.65 0.03 -0.04 0.00 -0.71 0.00 0.00 52.86 52.80 2bn4 s ASN 286 Cb -0.18 0.31 0.05 0.00 0.41 0.00 0.00 41.25 41.84 2bn4 s ASN 286 CO 0.36 -0.46 0.21 0.00 -1.51 0.00 0.00 177.10 175.71 2bn4 s ILE 288 N 2.24 5.09 -0.26 0.00 1.09 -1.02 -1.23 121.20 127.12 2bn4 s ILE 288 Ca 0.01 0.97 -0.11 0.00 -1.10 0.00 0.00 60.65 60.42 2bn4 s ILE 288 Cb -0.12 -3.81 -0.05 0.00 -1.06 0.00 0.00 42.46 37.43 2bn4 s ILE 288 CO -0.07 0.41 0.17 -2.28 -0.10 0.00 0.00 174.94 173.07 2bn4 s HIS 289 N 0.00 3.27 0.06 3.97 5.65 -0.90 -0.12 115.29 127.22 2bn4 s HIS 289 Ca 0.26 0.16 0.08 0.00 0.25 0.00 0.00 55.06 55.82 2bn4 s HIS 289 Cb -0.16 -2.31 -0.03 0.00 -1.18 0.00 0.00 32.58 28.90 2bn4 s HIS 289 CO 0.12 -0.03 -0.23 -1.12 -0.65 0.00 0.00 174.74 172.83 2bn4 s SER 290 N 1.34 2.71 -0.33 9.88 0.01 -0.21 -2.32 113.70 124.79 2bn4 s SER 290 Ca 0.07 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.77 2bn4 s SER 290 Cb -0.15 -0.21 0.10 0.00 0.21 0.00 0.00 66.02 65.97 2bn4 s SER 290 CO 0.07 0.17 0.07 -1.61 0.41 0.00 0.00 173.24 172.35 2bn4 s GLU 291 N -1.39 1.12 0.51 12.44 2.02 -0.04 -0.51 118.70 132.85 2bn4 s GLU 291 Ca 0.09 -1.50 -0.09 0.00 0.02 0.00 0.00 54.97 53.49 2bn4 s GLU 291 Cb -0.09 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 2bn4 s GLU 291 CO 0.03 -0.96 0.87 -0.06 0.02 0.00 0.00 175.26 175.15 2bn4 s PHE 292 N 1.23 3.56 -0.25 1.61 0.40 0.95 -0.22 117.98 125.26 2bn4 s PHE 292 Ca 0.10 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 2bn4 s PHE 292 Cb -0.18 -2.49 0.04 0.00 0.51 0.00 0.00 43.02 40.90 2bn4 s PHE 292 CO -0.16 -0.37 -0.08 0.34 0.70 0.00 0.00 175.22 175.64 2bn4 s ASP 293 N -3.87 4.30 0.00 1.36 -1.08 -0.26 -1.92 116.67 115.20 2bn4 s ASP 293 Ca 0.51 -1.08 0.20 0.00 -0.52 0.00 0.00 52.55 51.66 2bn4 s ASP 293 Cb -0.10 -1.61 0.34 0.00 -1.46 0.00 0.00 42.92 40.08 2bn4 s ASP 293 CO 0.44 -0.15 1.29 0.18 0.52 0.00 0.00 175.17 177.44 2bn4 n LEU 294 N 4.58 3.14 -0.10 -1.34 4.77 -0.78 -4.06 117.00 123.21 2bn4 n LEU 294 Ca -0.16 -1.45 0.13 0.00 -0.03 0.00 0.00 56.01 54.51 2bn4 n LEU 294 Cb 0.45 -0.19 0.51 0.00 -2.33 0.00 0.00 43.42 41.86 2bn4 n LEU 294 CO 0.25 0.67 1.19 0.77 -1.33 0.00 0.00 177.39 178.94 2bn4 h SER 295 N 3.86 0.36 0.01 -1.43 4.64 -1.93 -1.35 113.55 117.72 2bn4 h SER 295 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2bn4 h SER 295 Cb 0.88 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2bn4 h SER 295 CO 0.00 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 2bn4 n GLY 296 N -1.52 -0.45 3.46 -0.77 0.00 -1.26 -4.66 105.19 99.98 2bn4 n GLY 296 Ca 0.11 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2bn4 n GLY 296 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bn4 s SER 297 N -2.89 2.43 -0.70 1.61 1.04 -0.51 0.60 113.70 115.28 2bn4 s SER 297 Ca 0.00 -1.56 -0.01 0.00 0.48 0.00 0.00 55.95 54.86 2bn4 s SER 297 Cb 0.00 0.31 0.41 0.00 0.10 0.00 0.00 66.02 66.85 2bn4 s SER 297 CO 0.01 -0.83 1.95 -0.46 0.98 0.00 0.00 173.24 174.89 2bn4 n ASN 298 N -1.04 7.37 -4.45 7.02 6.94 -0.88 -4.88 115.26 125.34 2bn4 n ASN 298 Ca -0.04 -3.80 -0.43 0.00 -0.02 0.00 0.00 54.58 50.28 2bn4 n ASN 298 Cb 0.65 -0.96 -0.05 0.00 -2.36 0.00 0.00 39.78 37.07 2bn4 n ASN 298 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2bn4 s ILE 299 N -4.94 4.54 -0.45 1.53 1.01 -1.26 -5.01 121.20 116.63 2bn4 s ILE 299 Ca 0.59 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.71 2bn4 s ILE 299 Cb 0.47 -4.54 0.05 0.00 0.01 0.00 0.00 42.46 38.45 2bn4 s ILE 299 CO -0.16 -1.19 0.39 -0.54 0.00 0.00 0.00 174.94 173.44 2bn4 s LYS 300 N 3.49 3.00 0.23 2.79 3.01 -1.26 -4.96 119.74 126.04 2bn4 s LYS 300 Ca 0.20 -1.12 0.04 0.00 -1.01 0.00 0.00 55.97 54.09 2bn4 s LYS 300 Cb -0.18 -4.05 -0.03 0.00 -1.01 0.00 0.00 37.83 32.56 2bn4 s LYS 300 CO 0.12 -0.92 0.36 1.52 0.51 0.00 0.00 175.35 176.93 2bn4 s TYR 301 N 1.81 3.46 0.36 3.18 -0.85 -1.26 -5.12 117.35 118.93 2bn4 s TYR 301 Ca 0.06 0.03 0.08 0.00 -0.52 0.00 0.00 57.07 56.71 2bn4 s TYR 301 Cb -0.21 -1.61 -0.02 0.00 0.38 0.00 0.00 41.96 40.50 2bn4 s TYR 301 CO 0.09 0.44 0.32 -1.12 -1.52 0.00 0.00 175.55 173.76 2bn4 s SER 302 N -3.85 5.21 -0.02 -0.18 0.01 -1.26 -4.72 113.70 108.90 2bn4 s SER 302 Ca 0.34 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 2bn4 s SER 302 Cb -0.09 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 2bn4 s SER 302 CO 0.29 -0.46 1.16 -0.89 0.41 0.00 0.00 173.24 173.75 2bn4 s THR 303 N -2.36 4.31 0.00 1.44 2.01 -1.26 -2.82 115.64 116.96 2bn4 s THR 303 Ca 0.44 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.08 2bn4 s THR 303 Cb -0.05 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2bn4 s THR 303 CO 0.27 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 2bn4 n GLY 304 N 3.24 2.59 1.92 4.40 0.00 -1.26 -4.69 105.19 111.38 2bn4 n GLY 304 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2bn4 n GLY 304 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bn4 n ASP 305 N 0.00 -2.52 -4.35 1.61 8.00 -1.13 -4.58 116.55 113.58 2bn4 n ASP 305 Ca 0.00 -0.68 -0.19 0.00 0.71 0.00 0.00 54.79 54.63 2bn4 n ASP 305 Cb 0.00 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.42 2bn4 n ASP 305 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2bn4 s HIS 306 N -1.87 1.75 -0.10 1.24 3.76 -0.95 -2.02 115.29 117.11 2bn4 s HIS 306 Ca 0.40 -0.56 0.04 0.00 -0.15 0.00 0.00 55.06 54.79 2bn4 s HIS 306 Cb -0.06 -0.81 -0.00 0.00 1.11 0.00 0.00 32.58 32.83 2bn4 s HIS 306 CO 0.32 0.38 -0.24 -1.17 -0.85 0.00 0.00 174.74 173.18 2bn4 s LEU 307 N -3.31 2.08 -0.36 0.89 2.96 0.96 -1.87 118.68 120.04 2bn4 s LEU 307 Ca 0.23 -0.55 -0.12 0.00 -0.22 0.00 0.00 54.13 53.46 2bn4 s LEU 307 Cb -0.01 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.29 2bn4 s LEU 307 CO 0.07 0.16 0.23 0.00 -1.32 0.00 0.00 176.35 175.50 2bn4 s ALA 308 N 0.33 3.42 -0.34 5.97 0.00 -0.41 -1.04 121.76 129.69 2bn4 s ALA 308 Ca -0.18 -1.52 -0.11 0.00 0.00 0.00 0.00 51.96 50.14 2bn4 s ALA 308 Cb -0.18 -2.66 -0.00 0.00 0.00 0.00 0.00 23.12 20.28 2bn4 s ALA 308 CO 0.09 -1.15 0.19 0.08 0.00 0.00 0.00 175.76 174.97 2bn4 s VAL 309 N 1.66 4.79 -0.32 0.00 1.01 -0.44 -2.52 120.40 124.59 2bn4 s VAL 309 Ca 0.05 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 2bn4 s VAL 309 Cb -0.18 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2bn4 s VAL 309 CO 0.09 -0.03 0.89 0.26 0.00 0.00 0.00 175.10 176.31 2bn4 s TRP 310 N 1.63 3.18 0.00 5.22 0.52 -0.46 -2.14 118.94 126.89 2bn4 s TRP 310 Ca 0.04 0.92 0.00 0.00 0.02 0.00 0.00 56.10 57.09 2bn4 s TRP 310 Cb -0.18 -3.39 0.00 0.00 -1.15 0.00 0.00 33.47 28.75 2bn4 s TRP 310 CO 0.08 -0.65 0.00 -0.35 0.02 0.00 0.00 176.95 176.05 2bn4 n PRO 311 N 6.45 2.06 -3.20 4.98 -0.04 -1.26 -4.14 135.00 139.85 2bn4 n PRO 311 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 2bn4 n PRO 311 Cb 0.48 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.92 2bn4 n PRO 311 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2bn4 s SER 312 N -1.00 -0.73 0.64 3.54 1.04 -1.26 -4.88 113.70 111.05 2bn4 s SER 312 Ca 0.00 0.54 -0.17 0.00 0.48 0.00 0.00 55.95 56.80 2bn4 s SER 312 Cb 0.00 1.65 -0.12 0.00 0.10 0.00 0.00 66.02 67.65 2bn4 s SER 312 CO 0.00 -0.14 -0.04 0.59 0.98 0.00 0.00 173.24 174.63 2bn4 n ASN 313 N 5.39 -3.31 -4.31 7.02 4.13 -1.03 -4.89 115.26 118.27 2bn4 n ASN 313 Ca -0.06 0.57 -0.33 0.00 1.68 0.00 0.00 54.58 56.43 2bn4 n ASN 313 Cb 0.53 -0.94 0.12 0.00 -1.54 0.00 0.00 39.78 37.94 2bn4 n ASN 313 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2bn4 n PRO 314 N 1.06 -0.59 0.07 3.52 -0.02 -1.26 -4.76 135.00 133.01 2bn4 n PRO 314 Ca 0.07 -0.14 -0.19 0.00 -2.02 0.00 0.00 63.50 61.22 2bn4 n PRO 314 Cb 0.49 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.17 2bn4 n PRO 314 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2bn4 h LEU 315 N -1.60 0.47 -1.59 2.45 3.38 -1.48 -2.33 115.31 114.60 2bn4 h LEU 315 Ca -0.46 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 56.83 2bn4 h LEU 315 Cb 1.31 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2bn4 h LEU 315 CO 0.33 1.55 0.07 -0.33 0.09 0.00 0.00 178.44 180.15 2bn4 h GLU 316 N 0.08 0.33 0.11 1.13 3.07 -1.92 -2.47 114.58 114.91 2bn4 h GLU 316 Ca -0.27 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.34 2bn4 h GLU 316 Cb 2.05 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.90 2bn4 h GLU 316 CO 0.17 0.30 -1.01 0.87 -1.40 0.00 0.00 179.01 177.94 2bn4 h LYS 317 N 0.33 0.23 -0.39 2.33 1.79 -1.92 -2.67 116.57 116.26 2bn4 h LYS 317 Ca 0.08 -0.39 0.07 0.00 -2.18 0.00 0.00 60.65 58.23 2bn4 h LYS 317 Cb 0.12 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2bn4 h LYS 317 CO -0.01 1.19 0.26 0.28 -1.08 0.00 0.00 179.45 180.10 2bn4 h VAL 318 N -0.44 0.92 0.17 0.50 2.07 -1.37 -1.58 116.25 116.52 2bn4 h VAL 318 Ca -0.21 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2bn4 h VAL 318 Cb 1.61 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2bn4 h VAL 318 CO 0.08 0.04 -0.08 -0.33 0.02 0.00 0.00 177.57 177.30 2bn4 h GLU 319 N 0.23 -0.22 -0.98 1.57 4.39 -1.53 -2.31 114.58 115.74 2bn4 h GLU 319 Ca 0.17 0.01 0.28 0.00 0.34 0.00 0.00 59.36 60.17 2bn4 h GLU 319 Cb 0.39 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2bn4 h GLU 319 CO -0.03 0.21 0.72 1.96 -1.16 0.00 0.00 179.01 180.70 2bn4 h GLN 320 N -0.81 0.00 0.00 2.33 4.20 -1.03 -0.49 115.11 119.32 2bn4 h GLN 320 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2bn4 h GLN 320 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2bn4 h GLN 320 CO 0.04 0.00 -0.00 0.35 -0.67 0.00 0.00 178.83 178.55 2bn4 h PHE 321 N 0.00 -0.00 -0.57 2.96 3.57 -1.24 -3.11 116.94 118.55 2bn4 h PHE 321 Ca 0.47 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 2bn4 h PHE 321 Cb 1.90 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.61 2bn4 h PHE 321 CO 0.00 0.84 0.34 -0.07 -2.23 0.00 0.00 178.31 177.19 2bn4 h LEU 322 N -0.86 0.68 0.00 0.59 3.38 -0.75 -3.28 115.31 115.08 2bn4 h LEU 322 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bn4 h LEU 322 Cb 0.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2bn4 h LEU 322 CO 0.00 0.53 0.00 -1.20 0.09 0.00 0.00 178.44 177.86 2bn4 n SER 323 N -4.42 0.00 -0.54 -0.43 7.64 -0.28 -0.95 113.62 114.65 2bn4 n SER 323 Ca 0.05 0.87 0.44 0.00 1.01 0.00 0.00 58.87 61.25 2bn4 n SER 323 Cb 0.07 -0.40 0.73 0.00 -1.01 0.00 0.00 64.21 63.60 2bn4 n SER 323 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2bn4 h ILE 324 N 0.00 0.04 0.00 0.44 6.09 -1.61 1.92 117.51 124.39 2bn4 h ILE 324 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 2bn4 h ILE 324 Cb 0.00 0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.31 2bn4 h ILE 324 CO 0.00 0.00 -0.81 -0.26 -3.07 0.00 0.00 178.15 174.02 2bn4 h PHE 325 N 0.02 0.00 -4.39 2.19 0.05 -1.61 -0.14 116.94 113.06 2bn4 h PHE 325 Ca 0.89 0.00 -0.19 0.00 3.82 0.00 0.00 57.97 62.49 2bn4 h PHE 325 Cb 3.09 0.00 0.11 0.00 2.00 0.00 0.00 35.95 41.16 2bn4 h PHE 325 CO -0.00 0.00 -0.51 -1.71 -0.18 0.00 0.00 178.31 175.91 2bn4 n ASN 326 N -2.45 -3.10 -4.91 2.17 5.15 0.65 -3.68 115.26 109.10 2bn4 n ASN 326 Ca 0.02 -0.41 -0.25 0.00 -0.60 0.00 0.00 54.58 53.33 2bn4 n ASN 326 Cb 0.50 -3.44 -0.04 0.00 -0.53 0.00 0.00 39.78 36.27 2bn4 n ASN 326 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2bn4 s LEU 327 N -4.66 4.18 -0.39 1.20 1.43 -0.12 -4.95 118.68 115.36 2bn4 s LEU 327 Ca 0.11 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 2bn4 s LEU 327 Cb -0.01 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.48 2bn4 s LEU 327 CO 0.46 0.03 0.25 -0.62 0.23 0.00 0.00 176.35 176.70 2bn4 s ASP 328 N -3.35 5.85 0.56 2.29 2.15 -1.26 -4.78 116.67 118.14 2bn4 s ASP 328 Ca 0.33 -1.03 0.31 0.00 0.43 0.00 0.00 52.55 52.59 2bn4 s ASP 328 Cb -0.10 -2.07 1.46 0.00 -0.30 0.00 0.00 42.92 41.91 2bn4 s ASP 328 CO 0.27 -0.43 1.84 -0.65 -0.17 0.00 0.00 175.17 176.03 2bn4 h PRO 329 N 8.51 0.00 0.00 4.34 0.11 -1.95 -0.55 132.00 142.45 2bn4 h PRO 329 Ca -0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 2bn4 h PRO 329 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2bn4 h PRO 329 CO 0.70 0.00 -0.71 1.49 -0.21 0.00 0.00 178.00 179.28 2bn4 h GLU 330 N 0.00 0.00 -4.84 1.05 4.57 -1.94 0.67 114.58 114.09 2bn4 h GLU 330 Ca 0.36 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 58.08 2bn4 h GLU 330 Cb 1.64 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 30.14 2bn4 h GLU 330 CO -0.00 0.71 1.75 2.41 -1.18 0.00 0.00 179.01 182.70 2bn4 n THR 331 N -3.60 0.00 -1.91 0.32 -1.04 -0.22 -4.48 114.28 103.35 2bn4 n THR 331 Ca -0.00 -0.09 -0.34 0.00 -2.04 0.00 0.00 64.05 61.58 2bn4 n THR 331 Cb 0.71 -0.40 0.04 0.00 -1.82 0.00 0.00 70.33 68.86 2bn4 n THR 331 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2bn4 s ILE 332 N 7.15 3.03 0.32 12.58 1.01 -1.26 -1.79 121.20 142.24 2bn4 s ILE 332 Ca 1.31 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 62.33 2bn4 s ILE 332 Cb -1.15 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 38.25 2bn4 s ILE 332 CO 0.49 -0.22 0.81 0.72 0.00 0.00 0.00 174.94 176.73 2bn4 s PHE 333 N -2.02 0.02 0.14 3.97 -0.12 0.13 -2.49 117.98 117.61 2bn4 s PHE 333 Ca 0.71 -0.58 -0.11 0.00 -0.05 0.00 0.00 56.93 56.90 2bn4 s PHE 333 Cb -0.24 0.78 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 2bn4 s PHE 333 CO 0.36 -1.37 0.29 0.34 -0.05 0.00 0.00 175.22 174.80 2bn4 s ASP 334 N -3.06 -0.00 -0.13 1.98 2.15 -1.24 -0.71 116.67 115.65 2bn4 s ASP 334 Ca 0.15 -0.68 -0.01 0.00 0.43 0.00 0.00 52.55 52.44 2bn4 s ASP 334 Cb -0.05 0.42 0.04 0.00 -0.30 0.00 0.00 42.92 43.03 2bn4 s ASP 334 CO 0.09 -0.85 -0.03 -0.76 -0.17 0.00 0.00 175.17 173.46 2bn4 s LEU 335 N -2.90 1.15 -0.22 -1.34 1.43 -1.26 -3.59 118.68 111.95 2bn4 s LEU 335 Ca 0.10 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 2bn4 s LEU 335 Cb 0.03 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 2bn4 s LEU 335 CO -0.06 -0.20 0.13 -0.75 0.23 0.00 0.00 176.35 175.71 2bn4 s LYS 336 N 1.79 4.08 0.40 1.70 2.20 -1.22 -4.88 119.74 123.81 2bn4 s LYS 336 Ca 0.02 -0.27 -0.26 0.00 -0.36 0.00 0.00 55.97 55.11 2bn4 s LYS 336 Cb -0.14 -3.45 -0.09 0.00 -1.51 0.00 0.00 37.83 32.64 2bn4 s LYS 336 CO -0.07 0.16 1.27 -2.14 -0.36 0.00 0.00 175.35 174.21 2bn4 s PRO 337 N 0.77 3.98 0.00 4.03 0.02 -1.26 -1.33 135.00 141.21 2bn4 s PRO 337 Ca 0.07 2.08 0.21 0.00 0.02 0.00 0.00 61.00 63.39 2bn4 s PRO 337 Cb -0.13 -2.74 0.93 0.00 0.02 0.00 0.00 34.50 32.58 2bn4 s PRO 337 CO 0.02 -0.46 1.64 1.28 -0.33 0.00 0.00 177.00 179.15 2bn4 n LEU 338 N 0.11 1.10 0.00 -5.54 4.77 -0.67 -4.88 117.00 111.89 2bn4 n LEU 338 Ca 0.04 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 2bn4 n LEU 338 Cb 0.44 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2bn4 n LEU 338 CO 0.55 0.22 0.00 -0.90 -1.33 0.00 0.00 177.39 175.93 2bn4 n ASP 339 N -0.07 0.00 0.00 -1.43 5.75 -1.26 -5.00 116.55 114.54 2bn4 n ASP 339 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2bn4 n ASP 339 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 2bn4 n ASP 339 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 2bn4 n PRO 340 N -0.17 0.00 -0.07 0.11 -0.02 -1.26 -1.95 135.00 131.63 2bn4 n PRO 340 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 2bn4 n PRO 340 Cb 0.00 -1.47 -0.13 0.00 -0.02 0.00 0.00 33.50 31.88 2bn4 n PRO 340 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2bn4 n THR 341 N -0.85 1.60 -2.56 3.45 5.66 -1.26 -4.87 114.28 115.46 2bn4 n THR 341 Ca 0.00 -0.62 -0.43 0.00 -3.05 0.00 0.00 64.05 59.95 2bn4 n THR 341 Cb 0.00 -1.51 -0.02 0.00 -1.55 0.00 0.00 70.33 67.25 2bn4 n THR 341 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2bn4 s VAL 342 N -2.54 4.50 -0.13 1.08 1.01 -0.82 -4.90 120.40 118.60 2bn4 s VAL 342 Ca -0.29 1.81 -0.07 0.00 0.00 0.00 0.00 61.98 63.43 2bn4 s VAL 342 Cb 0.08 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2bn4 s VAL 342 CO 0.68 -0.19 0.11 -0.54 0.00 0.00 0.00 175.10 175.16 2bn4 s LYS 343 N 3.37 3.51 -0.07 2.72 1.02 -1.26 -4.74 119.74 124.28 2bn4 s LYS 343 Ca 0.49 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 2bn4 s LYS 343 Cb -0.18 -3.16 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2bn4 s LYS 343 CO 0.10 0.67 1.59 0.08 -0.92 0.00 0.00 175.35 176.87 2bn4 s VAL 344 N -0.72 3.69 0.18 3.17 1.01 -1.26 -4.91 120.40 121.57 2bn4 s VAL 344 Ca 0.13 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.69 2bn4 s VAL 344 Cb -0.12 -3.54 0.03 0.00 0.00 0.00 0.00 36.38 32.75 2bn4 s VAL 344 CO 0.03 -0.07 1.50 -2.65 0.00 0.00 0.00 175.10 173.90 2bn4 n PRO 345 N 7.05 -0.36 -2.80 2.72 -0.02 -1.26 -4.81 135.00 135.52 2bn4 n PRO 345 Ca 0.17 1.48 -0.07 0.00 -2.02 0.00 0.00 63.50 63.05 2bn4 n PRO 345 Cb 0.43 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 2bn4 n PRO 345 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2bn4 n PHE 346 N -5.29 -0.18 -1.97 6.00 1.16 -1.26 -5.12 117.46 110.80 2bn4 n PHE 346 Ca 0.05 -0.96 -0.42 0.00 -1.87 0.00 0.00 57.45 54.25 2bn4 n PHE 346 Cb 0.30 0.07 -0.03 0.00 -1.61 0.00 0.00 39.48 38.21 2bn4 n PHE 346 CO 0.00 0.00 0.00 -2.14 -1.87 0.00 0.00 176.76 172.75 2bn4 s PRO 347 N -2.49 4.24 0.05 3.97 0.02 -1.26 -5.01 135.00 134.51 2bn4 s PRO 347 Ca 0.12 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.47 2bn4 s PRO 347 Cb 0.01 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.36 2bn4 s PRO 347 CO 0.08 -0.51 -0.04 0.95 -0.33 0.00 0.00 177.00 177.15 2bn4 s THR 348 N 0.52 0.32 1.24 0.99 -4.23 -1.26 -4.54 115.64 108.68 2bn4 s THR 348 Ca 0.64 -1.52 -0.20 0.00 -1.18 0.00 0.00 61.69 59.43 2bn4 s THR 348 Cb -0.43 -1.12 0.30 0.00 1.34 0.00 0.00 72.50 72.59 2bn4 s THR 348 CO 0.38 -0.78 1.09 -2.84 -0.54 0.00 0.00 174.62 171.93 2bn4 s PRO 349 N -3.01 -1.53 0.10 3.99 0.02 -1.26 -4.75 135.00 128.56 2bn4 s PRO 349 Ca 0.00 -0.08 -0.27 0.00 0.02 0.00 0.00 61.00 60.68 2bn4 s PRO 349 Cb 0.01 -1.56 0.08 0.00 0.02 0.00 0.00 34.50 33.05 2bn4 s PRO 349 CO -0.06 -3.91 1.06 -0.08 -0.33 0.00 0.00 177.00 173.69 2bn4 s THR 350 N -2.92 0.00 0.37 0.99 -1.32 0.11 -1.17 115.64 111.69 2bn4 s THR 350 Ca 0.71 -0.53 -0.05 0.00 -1.21 0.00 0.00 61.69 60.61 2bn4 s THR 350 Cb -0.10 -2.00 -0.05 0.00 -1.51 0.00 0.00 72.50 68.84 2bn4 s THR 350 CO 0.56 0.00 0.65 0.42 -2.21 0.00 0.00 174.62 174.04 2bn4 s THR 351 N -3.01 4.96 0.28 5.08 -4.23 -1.25 0.23 115.64 117.70 2bn4 s THR 351 Ca 0.13 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.76 2bn4 s THR 351 Cb 0.01 -3.78 0.14 0.00 1.34 0.00 0.00 72.50 70.20 2bn4 s THR 351 CO 0.00 -0.52 1.81 0.40 -0.54 0.00 0.00 174.62 175.78 2bn4 h ILE 352 N 0.95 1.23 -0.44 2.99 2.04 -0.80 -3.02 117.51 120.45 2bn4 h ILE 352 Ca -0.48 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.51 2bn4 h ILE 352 Cb 1.20 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2bn4 h ILE 352 CO 0.64 0.31 0.29 1.23 0.00 0.00 0.00 178.15 180.62 2bn4 h GLY 353 N 0.95 0.63 1.17 5.37 0.00 0.08 -2.48 103.07 108.78 2bn4 h GLY 353 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2bn4 h GLY 353 CO 0.01 0.24 0.53 0.00 0.00 0.00 0.00 176.54 177.32 2bn4 h ALA 354 N 1.15 1.37 0.00 3.60 0.00 -1.78 -1.40 119.26 122.20 2bn4 h ALA 354 Ca 0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2bn4 h ALA 354 Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2bn4 h ALA 354 CO -0.03 0.57 -0.34 0.00 0.00 0.00 0.00 179.25 179.44 2bn4 h ALA 355 N 1.45 1.02 0.00 0.00 0.00 -1.41 0.62 119.26 120.94 2bn4 h ALA 355 Ca 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2bn4 h ALA 355 Cb -0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2bn4 h ALA 355 CO -0.06 0.43 -0.92 0.82 0.00 0.00 0.00 179.25 179.52 2bn4 h ILE 356 N 0.00 0.06 0.00 0.00 2.04 -1.05 0.66 117.51 119.22 2bn4 h ILE 356 Ca -0.00 -1.11 -0.27 0.00 1.00 0.00 0.00 64.86 64.47 2bn4 h ILE 356 Cb 0.85 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 2bn4 h ILE 356 CO 0.04 0.03 -2.18 1.17 0.00 0.00 0.00 178.15 177.21 2bn4 n LYS 357 N -2.75 0.96 0.00 2.37 4.81 -0.56 -4.56 118.16 118.42 2bn4 n LYS 357 Ca -0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2bn4 n LYS 357 Cb 0.58 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.16 2bn4 n LYS 357 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2bn4 n HIS 358 N -2.59 0.00 -0.02 5.64 8.25 0.21 -2.45 115.22 124.27 2bn4 n HIS 358 Ca -0.25 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.19 2bn4 n HIS 358 Cb 0.99 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.07 2bn4 n HIS 358 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bn4 n TYR 359 N -1.00 0.00 -3.82 4.41 0.53 -0.91 -4.82 117.16 111.54 2bn4 n TYR 359 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.52 2bn4 n TYR 359 Cb 0.00 -0.20 -0.13 0.00 -1.03 0.00 0.00 39.34 37.98 2bn4 n TYR 359 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 2bn4 s LEU 360 N -4.23 3.25 -1.20 7.72 1.43 0.23 -2.25 118.68 123.63 2bn4 s LEU 360 Ca -0.02 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 52.53 2bn4 s LEU 360 Cb 0.01 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 2bn4 s LEU 360 CO 0.18 -0.04 1.91 -0.62 0.23 0.00 0.00 176.35 178.00 2bn4 n GLU 361 N 4.87 1.85 0.10 1.70 -0.58 0.11 -4.66 120.64 124.02 2bn4 n GLU 361 Ca -0.17 -2.58 -0.04 0.00 -0.42 0.00 0.00 57.16 53.95 2bn4 n GLU 361 Cb 0.51 -3.67 0.01 0.00 -0.57 0.00 0.00 31.44 27.72 2bn4 n GLU 361 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2bn4 h ILE 362 N 6.00 1.59 -4.50 -3.67 3.07 -1.87 -3.41 117.51 114.73 2bn4 h ILE 362 Ca 0.26 -2.82 -0.47 0.00 1.55 0.00 0.00 64.86 63.39 2bn4 h ILE 362 Cb 0.92 2.52 0.11 0.00 -0.27 0.00 0.00 36.82 40.10 2bn4 h ILE 362 CO 1.29 0.81 0.40 0.28 -1.05 0.00 0.00 178.15 179.87 2bn4 s THR 363 N -3.13 2.00 0.00 0.16 -1.32 -1.26 -3.60 115.64 108.49 2bn4 s THR 363 Ca -0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2bn4 s THR 363 Cb 0.11 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 2bn4 s THR 363 CO 0.79 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.81 2bn4 n GLY 364 N -3.21 1.72 3.33 6.08 0.00 -1.26 -4.90 105.19 106.95 2bn4 n GLY 364 Ca 0.09 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 2bn4 n GLY 364 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bn4 n PRO 365 N 1.76 0.18 -3.91 1.61 -0.02 -1.26 -4.34 135.00 129.02 2bn4 n PRO 365 Ca 0.00 0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.21 2bn4 n PRO 365 Cb 0.00 -1.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 2bn4 n PRO 365 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bn4 s VAL 366 N -1.93 4.89 -0.03 -1.45 1.01 -1.26 -4.84 120.40 116.78 2bn4 s VAL 366 Ca 0.59 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2bn4 s VAL 366 Cb -0.38 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2bn4 s VAL 366 CO 0.64 0.43 1.11 -0.55 0.00 0.00 0.00 175.10 176.73 2bn4 s SER 367 N 0.55 7.17 0.63 3.32 0.15 -1.26 -4.91 113.70 119.36 2bn4 s SER 367 Ca 0.04 1.76 0.35 0.00 0.70 0.00 0.00 55.95 58.80 2bn4 s SER 367 Cb -0.13 -2.56 1.96 0.00 -1.71 0.00 0.00 66.02 63.58 2bn4 s SER 367 CO 0.01 -0.46 2.19 -0.09 1.20 0.00 0.00 173.24 176.09 2bn4 h ARG 368 N 7.09 0.00 0.00 5.44 2.43 -1.97 0.25 114.38 127.62 2bn4 h ARG 368 Ca -0.37 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.71 2bn4 h ARG 368 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2bn4 h ARG 368 CO 0.83 0.00 -0.46 0.37 -1.51 0.00 0.00 179.97 179.20 2bn4 h GLN 369 N 0.00 0.00 0.00 0.20 5.75 -1.92 -2.62 115.11 116.51 2bn4 h GLN 369 Ca 0.03 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2bn4 h GLN 369 Cb 0.27 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2bn4 h GLN 369 CO -0.00 0.46 -0.23 1.25 -2.65 0.00 0.00 178.83 177.66 2bn4 h LEU 370 N 0.00 0.00 0.02 -2.39 7.12 -0.88 -1.90 115.31 117.29 2bn4 h LEU 370 Ca -0.00 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.90 2bn4 h LEU 370 Cb 0.90 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.04 2bn4 h LEU 370 CO 0.06 0.23 -0.41 -0.26 -0.13 0.00 0.00 178.44 177.93 2bn4 h PHE 371 N 0.00 0.37 -0.00 1.25 0.05 -1.49 -3.04 116.94 114.08 2bn4 h PHE 371 Ca -0.00 -0.22 -0.00 0.00 3.82 0.00 0.00 57.97 61.57 2bn4 h PHE 371 Cb 0.75 -0.04 -0.00 0.00 2.00 0.00 0.00 35.95 38.67 2bn4 h PHE 371 CO 0.00 1.06 -0.01 1.03 -0.18 0.00 0.00 178.31 180.21 2bn4 h SER 372 N -0.42 0.00 0.30 2.17 0.87 -1.35 -0.56 113.55 114.56 2bn4 h SER 372 Ca -0.06 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2bn4 h SER 372 Cb 1.19 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2bn4 h SER 372 CO 0.08 0.01 -0.08 -1.20 -0.53 0.00 0.00 176.83 175.11 2bn4 n SER 373 N -4.53 0.47 -0.03 6.23 7.64 -0.73 -3.94 113.62 118.74 2bn4 n SER 373 Ca -0.03 -0.67 -0.03 0.00 1.01 0.00 0.00 58.87 59.15 2bn4 n SER 373 Cb 0.10 -0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.10 2bn4 n SER 373 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2bn4 n LEU 374 N -0.89 0.42 -0.28 -3.43 4.77 -0.22 -4.40 117.00 112.98 2bn4 n LEU 374 Ca 0.16 0.19 0.23 0.00 -0.03 0.00 0.00 56.01 56.56 2bn4 n LEU 374 Cb 0.26 0.23 0.43 0.00 -2.33 0.00 0.00 43.42 42.01 2bn4 n LEU 374 CO 0.22 0.29 0.83 -0.38 -1.33 0.00 0.00 177.39 177.02 2bn4 n ILE 375 N -2.77 -0.36 -0.34 -0.08 5.41 -1.20 0.17 119.36 120.19 2bn4 n ILE 375 Ca -0.18 1.76 0.16 0.00 1.00 0.00 0.00 62.75 65.48 2bn4 n ILE 375 Cb 0.95 -2.77 0.38 0.00 -0.71 0.00 0.00 39.64 37.48 2bn4 n ILE 375 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2bn4 h GLN 376 N 0.00 0.62 -0.39 0.38 4.20 -1.86 -1.55 115.11 116.51 2bn4 h GLN 376 Ca 0.66 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 59.21 2bn4 h GLN 376 Cb 1.66 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 29.22 2bn4 h GLN 376 CO -0.69 0.41 0.04 1.19 -0.67 0.00 0.00 178.83 179.11 2bn4 n PHE 377 N -4.76 1.30 -1.44 2.96 3.72 0.46 -5.03 117.46 114.66 2bn4 n PHE 377 Ca 0.24 -1.23 -0.38 0.00 -0.05 0.00 0.00 57.45 56.03 2bn4 n PHE 377 Cb 0.67 -0.46 0.04 0.00 -0.94 0.00 0.00 39.48 38.78 2bn4 n PHE 377 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2bn4 n ALA 378 N -0.72 -1.32 -0.02 4.37 0.00 -0.58 -4.57 120.51 117.66 2bn4 n ALA 378 Ca 0.30 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.54 2bn4 n ALA 378 Cb 1.05 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 2bn4 n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bn4 h PRO 379 N 0.20 0.63 -2.73 0.00 0.11 -1.92 -3.48 132.00 124.82 2bn4 h PRO 379 Ca -0.45 -0.52 -0.10 0.00 0.11 0.00 0.00 66.00 65.04 2bn4 h PRO 379 Cb 1.40 0.11 -0.19 0.00 0.11 0.00 0.00 31.00 32.43 2bn4 h PRO 379 CO 0.46 1.14 -0.13 0.54 -0.21 0.00 0.00 178.00 179.81 2bn4 s ASN 380 N -6.86 -0.33 0.30 -2.05 4.22 -1.26 -5.05 114.94 103.90 2bn4 s ASN 380 Ca -0.12 0.26 0.16 0.00 -2.14 0.00 0.00 52.86 51.03 2bn4 s ASN 380 Cb 0.07 0.39 1.07 0.00 1.28 0.00 0.00 41.25 44.05 2bn4 s ASN 380 CO 0.86 -0.51 1.28 0.00 -2.04 0.00 0.00 177.10 176.69 2bn4 n ALA 381 N 1.11 0.82 0.15 3.54 0.00 -1.26 0.13 120.51 124.99 2bn4 n ALA 381 Ca -0.21 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.06 2bn4 n ALA 381 Cb 0.57 -0.82 0.26 0.00 0.00 0.00 0.00 19.45 19.46 2bn4 n ALA 381 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2bn4 h ASP 382 N 0.00 0.04 0.43 0.00 1.82 -2.00 -2.93 116.42 113.78 2bn4 h ASP 382 Ca 0.68 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 57.28 2bn4 h ASP 382 Cb 1.79 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.79 2bn4 h ASP 382 CO -0.63 0.52 -0.21 0.58 -1.61 0.00 0.00 179.24 177.89 2bn4 h VAL 383 N 0.03 0.00 -1.66 2.25 2.07 0.65 -2.93 116.25 116.66 2bn4 h VAL 383 Ca -0.00 -0.52 0.53 0.00 0.82 0.00 0.00 66.70 67.52 2bn4 h VAL 383 Cb 0.87 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 2bn4 h VAL 383 CO 0.06 0.00 1.14 1.17 0.02 0.00 0.00 177.57 179.96 2bn4 n LYS 384 N -5.01 -0.02 -0.00 1.57 4.81 -0.90 0.29 118.16 118.89 2bn4 n LYS 384 Ca -0.07 1.18 -0.17 0.00 -0.87 0.00 0.00 58.31 58.38 2bn4 n LYS 384 Cb 0.23 -2.50 -0.12 0.00 0.02 0.00 0.00 35.03 32.66 2bn4 n LYS 384 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2bn4 h GLU 385 N 0.00 0.30 -0.27 1.64 4.22 -1.51 -2.91 114.58 116.05 2bn4 h GLU 385 Ca 0.91 -0.34 -0.18 0.00 0.08 0.00 0.00 59.36 59.83 2bn4 h GLU 385 Cb 3.29 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 32.64 2bn4 h GLU 385 CO -0.26 1.05 -0.55 0.87 -2.18 0.00 0.00 179.01 177.94 2bn4 h LYS 386 N -0.30 0.83 -0.87 1.92 1.57 0.03 -2.44 116.57 117.30 2bn4 h LYS 386 Ca -0.07 -0.53 0.15 0.00 -1.87 0.00 0.00 60.65 58.33 2bn4 h LYS 386 Cb 1.24 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.52 2bn4 h LYS 386 CO 0.09 1.16 0.47 1.25 -0.57 0.00 0.00 179.45 181.85 2bn4 h LEU 387 N 0.64 0.59 0.72 2.94 6.46 -0.77 -0.81 115.31 125.07 2bn4 h LEU 387 Ca 0.01 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 2bn4 h LEU 387 Cb 1.15 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 41.08 2bn4 h LEU 387 CO 0.12 0.25 -0.34 0.74 -0.62 0.00 0.00 178.44 178.59 2bn4 h THR 388 N 0.67 0.00 -0.68 1.05 2.02 -1.33 0.15 112.91 114.79 2bn4 h THR 388 Ca 0.48 -0.10 0.15 0.00 0.77 0.00 0.00 66.41 67.70 2bn4 h THR 388 Cb 0.66 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.96 2bn4 h THR 388 CO -0.35 0.00 0.06 -0.07 0.37 0.00 0.00 175.52 175.53 2bn4 h LEU 389 N -1.07 -0.19 0.12 2.58 3.38 -1.10 -1.35 115.31 117.68 2bn4 h LEU 389 Ca -0.10 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2bn4 h LEU 389 Cb 0.74 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2bn4 h LEU 389 CO 0.16 -0.10 -0.06 -0.07 0.09 0.00 0.00 178.44 178.46 2bn4 h LEU 390 N 0.16 -0.14 -0.06 1.67 3.38 -1.16 -0.08 115.31 119.09 2bn4 h LEU 390 Ca 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2bn4 h LEU 390 Cb 0.62 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2bn4 h LEU 390 CO -0.54 -0.01 0.04 -1.54 0.09 0.00 0.00 178.44 176.47 2bn4 n SER 391 N -5.12 0.02 -0.01 -0.43 3.41 0.04 -1.24 113.62 110.29 2bn4 n SER 391 Ca -0.08 0.47 0.06 0.00 -0.26 0.00 0.00 58.87 59.06 2bn4 n SER 391 Cb 0.13 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 2bn4 n SER 391 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bn4 n LYS 392 N -1.49 0.43 -3.53 4.33 5.02 -0.67 -4.77 118.16 117.47 2bn4 n LYS 392 Ca -0.00 -0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.77 2bn4 n LYS 392 Cb 0.04 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 2bn4 n LYS 392 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2bn4 s ASP 393 N -3.35 5.78 0.04 4.39 3.68 -0.13 -4.97 116.67 122.12 2bn4 s ASP 393 Ca -0.04 -2.04 -0.08 0.00 2.13 0.00 0.00 52.55 52.52 2bn4 s ASP 393 Cb 0.08 -2.03 -0.02 0.00 -1.45 0.00 0.00 42.92 39.50 2bn4 s ASP 393 CO 0.50 -0.67 0.70 1.17 0.13 0.00 0.00 175.17 176.99 2bn4 n LYS 394 N 4.75 -0.11 0.31 4.34 4.81 -1.26 -1.62 118.16 129.37 2bn4 n LYS 394 Ca -0.05 0.69 -0.17 0.00 -0.87 0.00 0.00 58.31 57.91 2bn4 n LYS 394 Cb 0.41 -1.03 -0.08 0.00 0.02 0.00 0.00 35.03 34.35 2bn4 n LYS 394 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2bn4 h ASP 395 N 0.00 -0.83 -0.81 3.14 3.32 -1.94 -2.82 116.42 116.48 2bn4 h ASP 395 Ca 0.04 0.05 0.21 0.00 0.02 0.00 0.00 57.03 57.35 2bn4 h ASP 395 Cb 0.11 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2bn4 h ASP 395 CO -0.25 -0.52 0.56 -0.61 -1.72 0.00 0.00 179.24 176.71 2bn4 h GLN 396 N -0.83 0.15 -0.19 3.56 4.15 -1.74 0.11 115.11 120.32 2bn4 h GLN 396 Ca -0.06 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 2bn4 h GLN 396 Cb 0.67 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 2bn4 h GLN 396 CO 0.07 0.10 -0.13 0.35 -1.93 0.00 0.00 178.83 177.29 2bn4 h PHE 397 N 0.16 0.50 0.19 3.99 3.57 -1.13 0.13 116.94 124.34 2bn4 h PHE 397 Ca 0.40 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2bn4 h PHE 397 Cb 1.33 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2bn4 h PHE 397 CO -0.00 0.75 -0.33 0.00 -2.23 0.00 0.00 178.31 176.50 2bn4 h ALA 398 N 0.67 -0.92 -0.51 2.41 0.00 -0.63 0.19 119.26 120.48 2bn4 h ALA 398 Ca 0.04 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2bn4 h ALA 398 Cb 0.64 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.99 2bn4 h ALA 398 CO 0.04 -0.97 -0.36 0.28 0.00 0.00 0.00 179.25 178.23 2bn4 h VAL 399 N -0.56 0.16 0.00 0.00 2.07 -1.01 0.16 116.25 117.08 2bn4 h VAL 399 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2bn4 h VAL 399 Cb 0.52 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2bn4 h VAL 399 CO -0.12 0.00 -0.32 -0.62 0.02 0.00 0.00 177.57 176.53 2bn4 n GLU 400 N -5.42 0.11 0.00 1.57 1.02 0.44 -4.63 120.64 113.74 2bn4 n GLU 400 Ca 0.02 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2bn4 n GLU 400 Cb 0.35 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2bn4 n GLU 400 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2bn4 n ILE 401 N -1.77 0.00 0.17 -3.67 -0.00 0.60 -4.88 119.36 109.81 2bn4 n ILE 401 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.67 2bn4 n ILE 401 Cb 0.38 -0.44 -0.08 0.00 -0.00 0.00 0.00 39.64 39.51 2bn4 n ILE 401 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 2bn4 h THR 402 N 0.00 0.60 0.00 1.39 2.02 -0.67 -3.02 112.91 113.23 2bn4 h THR 402 Ca 0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2bn4 h THR 402 Cb 0.04 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2bn4 h THR 402 CO 0.00 0.11 0.00 -1.54 0.37 0.00 0.00 175.52 174.46 2bn4 n SER 403 N -5.14 0.48 -0.55 4.18 3.41 0.48 -1.22 113.62 115.26 2bn4 n SER 403 Ca -0.09 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 2bn4 n SER 403 Cb 0.27 -0.76 0.22 0.00 -0.26 0.00 0.00 64.21 63.68 2bn4 n SER 403 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bn4 n LYS 404 N -2.10 1.48 -3.57 4.33 5.02 -1.20 -4.60 118.16 117.52 2bn4 n LYS 404 Ca 0.00 -1.10 -0.20 0.00 -2.02 0.00 0.00 58.31 54.99 2bn4 n LYS 404 Cb 0.10 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.70 2bn4 n LYS 404 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2bn4 n TYR 405 N 0.20 -2.17 -2.32 2.13 4.02 -0.36 -4.80 117.16 113.86 2bn4 n TYR 405 Ca 0.13 0.91 -0.29 0.00 -0.01 0.00 0.00 57.90 58.64 2bn4 n TYR 405 Cb 0.45 -4.77 -0.00 0.00 -0.02 0.00 0.00 39.34 34.99 2bn4 n TYR 405 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2bn4 s PHE 406 N -3.46 3.57 0.32 -0.72 2.99 -1.15 -5.01 117.98 114.52 2bn4 s PHE 406 Ca 0.10 1.08 0.07 0.00 0.00 0.00 0.00 56.93 58.18 2bn4 s PHE 406 Cb -0.05 -2.52 -0.03 0.00 0.00 0.00 0.00 43.02 40.42 2bn4 s PHE 406 CO 0.76 -0.44 0.27 -0.80 -0.00 0.00 0.00 175.22 175.01 2bn4 s ASN 407 N -3.97 5.31 0.16 1.36 0.01 -1.26 -4.23 114.94 112.31 2bn4 s ASN 407 Ca 0.52 -0.46 -0.21 0.00 -0.71 0.00 0.00 52.86 52.00 2bn4 s ASN 407 Cb -0.11 -1.05 0.05 0.00 0.41 0.00 0.00 41.25 40.56 2bn4 s ASN 407 CO 0.46 -0.29 1.27 -0.38 -1.51 0.00 0.00 177.10 176.65 2bn4 n ILE 408 N -1.33 -0.50 0.05 0.60 5.41 -1.24 0.06 119.36 122.41 2bn4 n ILE 408 Ca -0.03 1.96 -0.13 0.00 1.00 0.00 0.00 62.75 65.56 2bn4 n ILE 408 Cb 0.59 -2.49 -0.08 0.00 -0.71 0.00 0.00 39.64 36.95 2bn4 n ILE 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bn4 h ALA 409 N 0.72 -0.07 -0.47 -1.39 0.00 -1.89 -1.71 119.26 114.46 2bn4 h ALA 409 Ca 0.20 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2bn4 h ALA 409 Cb 0.40 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 2bn4 h ALA 409 CO -0.79 -0.49 -0.06 -0.44 0.00 0.00 0.00 179.25 177.47 2bn4 h ASP 410 N -0.17 -0.32 0.16 0.00 3.32 -1.24 -0.61 116.42 117.56 2bn4 h ASP 410 Ca -0.01 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.18 2bn4 h ASP 410 Cb 0.15 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2bn4 h ASP 410 CO 0.01 -0.11 -0.22 0.00 -1.72 0.00 0.00 179.24 177.20 2bn4 h ALA 411 N 1.44 -0.40 0.00 3.45 0.00 -0.18 -2.04 119.26 121.54 2bn4 h ALA 411 Ca 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2bn4 h ALA 411 Cb 0.35 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2bn4 h ALA 411 CO -0.44 -0.76 -0.29 -0.07 0.00 0.00 0.00 179.25 177.69 2bn4 h LEU 412 N -0.43 0.00 -0.43 0.00 3.38 -1.01 -2.26 115.31 114.56 2bn4 h LEU 412 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2bn4 h LEU 412 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2bn4 h LEU 412 CO -0.09 0.29 -0.03 0.50 0.09 0.00 0.00 178.44 179.20 2bn4 h LYS 413 N 0.00 0.78 0.28 1.13 3.64 -0.84 -2.75 116.57 118.81 2bn4 h LYS 413 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2bn4 h LYS 413 Cb 0.64 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2bn4 h LYS 413 CO 0.04 0.87 -0.46 -0.92 -2.27 0.00 0.00 179.45 176.70 2bn4 h TYR 414 N 0.61 -1.29 -0.58 1.91 3.20 -0.80 -1.02 116.97 119.00 2bn4 h TYR 414 Ca 0.12 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.09 2bn4 h TYR 414 Cb 0.53 0.53 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 2bn4 h TYR 414 CO 0.04 -0.59 0.39 -0.07 -1.64 0.00 0.00 178.16 176.29 2bn4 h LEU 415 N -0.81 0.41 -1.89 2.82 3.38 -1.47 -2.80 115.31 114.96 2bn4 h LEU 415 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bn4 h LEU 415 Cb 0.76 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2bn4 h LEU 415 CO -0.17 0.26 0.00 -1.20 0.09 0.00 0.00 178.44 177.42 2bn4 n SER 416 N -4.47 2.89 -2.92 -0.43 7.64 -1.04 -4.92 113.62 110.36 2bn4 n SER 416 Ca 0.09 -1.93 -0.20 0.00 1.01 0.00 0.00 58.87 57.84 2bn4 n SER 416 Cb 0.31 -0.08 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 2bn4 n SER 416 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2bn4 n ASP 417 N 1.20 -4.80 0.00 6.43 10.43 -0.42 0.05 116.55 129.45 2bn4 n ASP 417 Ca 0.16 -0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.35 2bn4 n ASP 417 Cb 0.56 -3.96 0.00 0.00 1.84 0.00 0.00 41.12 39.56 2bn4 n ASP 417 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bn4 n GLY 418 N -1.18 0.57 3.65 0.44 0.00 -1.01 -5.02 105.19 102.64 2bn4 n GLY 418 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2bn4 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn4 s ALA 419 N -2.21 3.43 0.61 4.61 0.00 0.11 -4.93 121.76 123.37 2bn4 s ALA 419 Ca 0.00 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 2bn4 s ALA 419 Cb 0.00 -3.85 -0.02 0.00 0.00 0.00 0.00 23.12 19.25 2bn4 s ALA 419 CO 0.00 -1.74 1.16 0.15 0.00 0.00 0.00 175.76 175.34 2bn4 s LYS 420 N 4.61 2.93 -0.92 0.00 1.02 -1.26 -4.72 119.74 121.40 2bn4 s LYS 420 Ca 0.83 1.65 -0.00 0.00 0.02 0.00 0.00 55.97 58.47 2bn4 s LYS 420 Cb -0.36 -1.94 0.29 0.00 -0.52 0.00 0.00 37.83 35.30 2bn4 s LYS 420 CO 0.35 -1.20 1.26 0.91 -0.92 0.00 0.00 175.35 175.75 2bn4 n TRP 421 N -1.85 2.77 1.35 3.18 7.02 -0.06 -4.77 117.44 125.08 2bn4 n TRP 421 Ca 0.12 -3.12 0.08 0.00 -1.02 0.00 0.00 57.50 53.57 2bn4 n TRP 421 Cb 0.51 -1.00 0.47 0.00 -2.42 0.00 0.00 31.31 28.87 2bn4 n TRP 421 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2bn4 n ASP 422 N 1.02 0.00 0.07 -0.99 -0.08 -1.24 -2.93 116.55 112.40 2bn4 n ASP 422 Ca 0.29 -0.85 0.11 0.00 -1.51 0.00 0.00 54.79 52.82 2bn4 n ASP 422 Cb 0.35 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.76 2bn4 n ASP 422 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2bn4 n THR 423 N -0.87 0.47 -2.42 5.18 -1.04 -1.26 -4.87 114.28 109.46 2bn4 n THR 423 Ca 0.12 -0.54 -0.43 0.00 -2.04 0.00 0.00 64.05 61.16 2bn4 n THR 423 Cb 0.05 -0.26 -0.02 0.00 -1.82 0.00 0.00 70.33 68.29 2bn4 n THR 423 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2bn4 s VAL 424 N -3.39 4.25 0.79 12.58 1.01 -1.15 -4.90 120.40 129.58 2bn4 s VAL 424 Ca -0.03 1.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.33 2bn4 s VAL 424 Cb 0.11 -4.05 0.07 0.00 0.00 0.00 0.00 36.38 32.51 2bn4 s VAL 424 CO 0.82 -0.23 1.10 -2.84 0.00 0.00 0.00 175.10 173.95 2bn4 s PRO 425 N 3.69 2.10 0.13 2.72 0.02 -1.26 -4.95 135.00 137.44 2bn4 s PRO 425 Ca 0.55 1.17 -0.06 0.00 0.02 0.00 0.00 61.00 62.68 2bn4 s PRO 425 Cb -0.20 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 2bn4 s PRO 425 CO 0.17 -1.76 1.32 0.52 -0.33 0.00 0.00 177.00 176.92 2bn4 h MET 426 N -1.21 0.51 -0.82 5.54 2.86 -2.00 -3.02 114.93 116.79 2bn4 h MET 426 Ca -0.44 -0.49 0.14 0.00 -2.06 0.00 0.00 59.70 56.85 2bn4 h MET 426 Cb 1.24 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.93 2bn4 h MET 426 CO 0.51 1.13 0.40 1.96 1.06 0.00 0.00 176.91 181.96 2bn4 h GLN 427 N 0.32 0.56 0.16 1.72 4.20 -1.98 0.91 115.11 121.00 2bn4 h GLN 427 Ca -0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2bn4 h GLN 427 Cb 1.50 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 29.13 2bn4 h GLN 427 CO 0.16 0.37 -0.36 0.35 -0.67 0.00 0.00 178.83 178.68 2bn4 h PHE 428 N 0.58 -1.03 -0.50 2.96 3.57 -1.91 -2.81 116.94 117.80 2bn4 h PHE 428 Ca 0.44 0.02 0.10 0.00 3.53 0.00 0.00 57.97 62.06 2bn4 h PHE 428 Cb 0.62 0.43 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 2bn4 h PHE 428 CO -0.11 -0.43 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.37 2bn4 h LEU 429 N -0.57 -0.43 -0.39 0.59 3.38 -1.27 0.60 115.31 117.22 2bn4 h LEU 429 Ca -0.02 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2bn4 h LEU 429 Cb 0.55 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2bn4 h LEU 429 CO -0.15 -0.15 0.04 0.52 0.09 0.00 0.00 178.44 178.78 2bn4 n VAL 430 N -5.34 1.61 0.00 1.22 0.31 0.22 -0.80 118.33 115.55 2bn4 n VAL 430 Ca 0.05 0.57 0.00 0.00 -0.01 0.00 0.00 64.34 64.95 2bn4 n VAL 430 Cb 0.27 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2bn4 n VAL 430 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2bn4 n GLU 431 N -1.69 0.35 0.00 5.55 1.02 0.14 -4.74 120.64 121.27 2bn4 n GLU 431 Ca -0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2bn4 n GLU 431 Cb 0.04 -0.97 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 2bn4 n GLU 431 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2bn4 n SER 432 N -1.47 0.76 -4.24 1.62 7.64 0.19 -4.90 113.62 113.21 2bn4 n SER 432 Ca 0.00 -0.68 -0.33 0.00 1.01 0.00 0.00 58.87 58.87 2bn4 n SER 432 Cb 0.00 1.06 -0.16 0.00 -1.01 0.00 0.00 64.21 64.10 2bn4 n SER 432 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bn4 s VAL 433 N -3.10 2.43 0.38 0.44 1.01 0.02 -4.98 120.40 116.60 2bn4 s VAL 433 Ca 0.05 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 2bn4 s VAL 433 Cb 0.16 -1.99 -0.12 0.00 0.00 0.00 0.00 36.38 34.42 2bn4 s VAL 433 CO 0.85 0.53 0.88 -2.65 0.00 0.00 0.00 175.10 174.72 2bn4 n PRO 434 N 3.87 1.11 -2.56 2.72 -0.02 -1.26 -4.74 135.00 134.12 2bn4 n PRO 434 Ca -0.19 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.31 2bn4 n PRO 434 Cb 0.52 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 2bn4 n PRO 434 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2bn4 s GLN 435 N -1.76 4.37 -0.05 -0.52 -1.52 -1.26 0.06 119.66 118.98 2bn4 s GLN 435 Ca 0.62 1.57 -0.30 0.00 -1.95 0.00 0.00 55.36 55.30 2bn4 s GLN 435 Cb -0.62 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 2bn4 s GLN 435 CO 0.58 0.03 1.38 1.41 -0.25 0.00 0.00 175.29 178.43 2bn4 s MET 436 N -2.11 4.27 -0.04 2.91 1.75 -0.95 -4.52 119.30 120.60 2bn4 s MET 436 Ca 0.53 1.89 -0.04 0.00 -1.25 0.00 0.00 55.69 56.82 2bn4 s MET 436 Cb -0.24 -3.66 -0.04 0.00 2.84 0.00 0.00 34.83 33.73 2bn4 s MET 436 CO 0.31 -0.61 0.15 0.99 -0.65 0.00 0.00 175.02 175.21 2bn4 s THR 437 N 2.77 5.31 0.54 10.11 2.01 -1.26 -4.96 115.64 130.17 2bn4 s THR 437 Ca 0.62 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.33 2bn4 s THR 437 Cb -0.29 -3.42 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 2bn4 s THR 437 CO 0.24 0.42 1.14 -2.84 -0.69 0.00 0.00 174.62 172.89 2bn4 s PRO 438 N -1.62 3.33 -0.12 4.92 0.02 -1.26 -4.76 135.00 135.52 2bn4 s PRO 438 Ca 0.23 1.65 -0.10 0.00 0.02 0.00 0.00 61.00 62.80 2bn4 s PRO 438 Cb -0.12 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.33 2bn4 s PRO 438 CO 0.13 -0.88 0.21 1.03 -0.33 0.00 0.00 177.00 177.17 2bn4 s ARG 439 N -3.25 3.75 -0.01 5.54 3.00 -0.91 -4.83 118.95 122.25 2bn4 s ARG 439 Ca 0.73 -0.01 -0.15 0.00 0.00 0.00 0.00 55.73 56.29 2bn4 s ARG 439 Cb -0.25 -3.26 -0.06 0.00 0.00 0.00 0.00 34.95 31.38 2bn4 s ARG 439 CO 0.28 0.62 0.42 0.71 0.00 0.00 0.00 175.30 177.33 2bn4 s TYR 440 N -0.62 3.72 -0.01 -0.53 1.51 -1.26 -1.32 117.35 118.83 2bn4 s TYR 440 Ca 0.16 1.00 0.03 0.00 -1.01 0.00 0.00 57.07 57.25 2bn4 s TYR 440 Cb -0.13 -2.32 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 2bn4 s TYR 440 CO 0.05 0.60 -0.11 0.71 -1.11 0.00 0.00 175.55 175.69 2bn4 s TYR 441 N -0.93 0.96 0.25 2.71 1.51 -0.20 -4.94 117.35 116.71 2bn4 s TYR 441 Ca 0.24 -0.19 -0.30 0.00 -1.01 0.00 0.00 57.07 55.82 2bn4 s TYR 441 Cb -0.17 -0.61 -0.09 0.00 -0.11 0.00 0.00 41.96 40.98 2bn4 s TYR 441 CO 0.13 -0.01 1.21 -1.12 -1.11 0.00 0.00 175.55 174.65 2bn4 s SER 442 N -0.30 7.03 -0.12 2.29 0.01 -1.26 -0.02 113.70 121.33 2bn4 s SER 442 Ca 0.04 2.38 -0.30 0.00 1.31 0.00 0.00 55.95 59.39 2bn4 s SER 442 Cb -0.04 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 2bn4 s SER 442 CO -0.00 -0.37 1.20 -0.63 0.41 0.00 0.00 173.24 173.85 2bn4 s ILE 443 N -0.62 4.33 -0.92 1.44 1.01 -0.86 -4.55 121.20 121.03 2bn4 s ILE 443 Ca 0.50 1.63 0.24 0.00 0.00 0.00 0.00 60.65 63.01 2bn4 s ILE 443 Cb -0.35 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.02 2bn4 s ILE 443 CO 0.42 -0.07 1.25 -1.54 0.00 0.00 0.00 174.94 175.00 2bn4 n SER 444 N 5.85 0.63 -4.96 3.58 3.41 -0.80 -4.15 113.62 117.18 2bn4 n SER 444 Ca 0.12 -0.38 -0.22 0.00 -0.26 0.00 0.00 58.87 58.13 2bn4 n SER 444 Cb 0.46 0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 2bn4 n SER 444 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2bn4 s SER 445 N -3.20 6.31 0.00 4.04 1.04 -1.26 -2.02 113.70 118.62 2bn4 s SER 445 Ca 0.09 0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.65 2bn4 s SER 445 Cb 0.17 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.30 2bn4 s SER 445 CO 0.75 -0.15 0.32 -0.55 0.98 0.00 0.00 173.24 174.59 2bn4 s SER 446 N -3.95 6.61 0.03 7.02 0.15 -1.26 -4.56 113.70 117.74 2bn4 s SER 446 Ca 0.36 0.73 -0.20 0.00 0.70 0.00 0.00 55.95 57.54 2bn4 s SER 446 Cb -0.09 -2.16 -0.17 0.00 -1.71 0.00 0.00 66.02 61.89 2bn4 s SER 446 CO 0.32 0.28 1.26 0.77 1.20 0.00 0.00 173.24 177.07 2bn4 h SER 447 N 4.31 0.46 -0.15 5.45 4.64 -1.84 0.79 113.55 127.21 2bn4 h SER 447 Ca -0.51 -0.58 0.05 0.00 -0.47 0.00 0.00 61.79 60.27 2bn4 h SER 447 Cb 1.21 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 63.10 2bn4 h SER 447 CO 0.63 0.96 -0.33 0.25 -0.87 0.00 0.00 176.83 177.47 2bn4 h LEU 448 N -0.02 -1.04 -0.35 5.97 5.85 -1.93 0.87 115.31 124.66 2bn4 h LEU 448 Ca -0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2bn4 h LEU 448 Cb 0.90 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2bn4 h LEU 448 CO 0.06 -0.36 -0.28 -1.54 -0.34 0.00 0.00 178.44 175.98 2bn4 n SER 449 N -5.41 0.82 -2.72 1.25 3.41 -1.24 -4.28 113.62 105.46 2bn4 n SER 449 Ca -0.03 -0.69 -0.05 0.00 -0.26 0.00 0.00 58.87 57.83 2bn4 n SER 449 Cb 0.33 0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.46 2bn4 n SER 449 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bn4 n GLU 450 N -0.87 1.33 -0.34 4.33 4.71 0.27 -4.97 120.64 125.10 2bn4 n GLU 450 Ca 0.11 -2.83 0.10 0.00 -0.01 0.00 0.00 57.16 54.53 2bn4 n GLU 450 Cb 0.33 -0.94 0.22 0.00 -1.01 0.00 0.00 31.44 30.05 2bn4 n GLU 450 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2bn4 h LYS 451 N 2.49 0.01 0.00 3.49 3.64 0.65 -1.02 116.57 125.83 2bn4 h LYS 451 Ca -0.18 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 2bn4 h LYS 451 Cb 1.24 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2bn4 h LYS 451 CO 0.23 0.01 -0.23 1.96 -2.27 0.00 0.00 179.45 179.15 2bn4 h GLN 452 N 0.01 0.00 -6.51 1.90 1.08 -1.93 -3.43 115.11 106.23 2bn4 h GLN 452 Ca 0.54 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 57.06 2bn4 h GLN 452 Cb 1.00 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.24 2bn4 h GLN 452 CO -0.94 0.10 -0.75 0.99 -0.95 0.00 0.00 178.83 177.28 2bn4 s THR 453 N -3.17 3.23 -0.17 -0.54 2.01 -0.39 -1.87 115.64 114.73 2bn4 s THR 453 Ca 0.05 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.91 2bn4 s THR 453 Cb 0.06 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 70.14 2bn4 s THR 453 CO 0.70 0.24 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.99 2bn4 s VAL 454 N -1.08 2.20 -0.00 3.82 1.01 -0.81 -4.84 120.40 120.71 2bn4 s VAL 454 Ca 0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 2bn4 s VAL 454 Cb -0.11 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2bn4 s VAL 454 CO 0.10 0.53 0.33 -1.00 0.00 0.00 0.00 175.10 175.06 2bn4 s HIS 455 N 1.19 3.64 -0.19 5.22 3.76 -1.26 -0.04 115.29 127.61 2bn4 s HIS 455 Ca 0.02 0.77 -0.04 0.00 -0.15 0.00 0.00 55.06 55.66 2bn4 s HIS 455 Cb -0.14 -2.13 0.08 0.00 1.11 0.00 0.00 32.58 31.50 2bn4 s HIS 455 CO -0.09 0.62 0.17 0.08 -0.85 0.00 0.00 174.74 174.67 2bn4 s VAL 456 N -1.20 -0.23 -0.34 -0.90 1.01 0.34 -1.91 120.40 117.18 2bn4 s VAL 456 Ca 0.25 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 2bn4 s VAL 456 Cb -0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 2bn4 s VAL 456 CO 0.13 -0.24 0.44 0.42 0.00 0.00 0.00 175.10 175.85 2bn4 s THR 457 N 2.25 5.10 -0.23 3.92 -4.23 -1.26 -1.04 115.64 120.15 2bn4 s THR 457 Ca 0.05 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 2bn4 s THR 457 Cb -0.16 -3.87 0.07 0.00 1.34 0.00 0.00 72.50 69.88 2bn4 s THR 457 CO -0.11 -0.12 0.05 -0.94 -0.54 0.00 0.00 174.62 172.97 2bn4 s SER 458 N 1.73 3.25 0.26 3.99 1.04 0.83 -4.89 113.70 119.90 2bn4 s SER 458 Ca 0.15 -1.05 -0.31 0.00 0.48 0.00 0.00 55.95 55.22 2bn4 s SER 458 Cb -0.16 -0.66 -0.12 0.00 0.10 0.00 0.00 66.02 65.18 2bn4 s SER 458 CO 0.12 -0.34 1.61 0.00 0.98 0.00 0.00 173.24 175.61 2bn4 n ILE 459 N 5.00 0.72 -2.70 -1.02 3.06 -1.26 -2.43 119.36 120.73 2bn4 n ILE 459 Ca -0.07 -0.18 -0.42 0.00 -2.50 0.00 0.00 62.75 59.57 2bn4 n ILE 459 Cb 0.45 -1.91 -0.03 0.00 0.54 0.00 0.00 39.64 38.70 2bn4 n ILE 459 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 2bn4 s VAL 460 N 0.31 4.81 -0.18 9.51 1.01 0.92 -4.92 120.40 131.87 2bn4 s VAL 460 Ca 0.68 2.03 -0.26 0.00 0.00 0.00 0.00 61.98 64.42 2bn4 s VAL 460 Cb -0.52 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 31.54 2bn4 s VAL 460 CO 0.44 0.04 0.88 -1.61 0.00 0.00 0.00 175.10 174.85 2bn4 s GLU 461 N 1.81 4.29 -0.35 2.72 0.41 -1.26 -4.64 118.70 121.67 2bn4 s GLU 461 Ca 0.49 1.09 -0.00 0.00 -0.41 0.00 0.00 54.97 56.13 2bn4 s GLU 461 Cb -0.19 -3.59 0.28 0.00 -1.78 0.00 0.00 34.13 28.85 2bn4 s GLU 461 CO 0.20 -0.39 1.21 -1.71 -0.49 0.00 0.00 175.26 174.08 2bn4 n ASN 462 N 5.45 -1.53 -4.84 -0.19 5.15 -1.26 -2.46 115.26 115.59 2bn4 n ASN 462 Ca 0.06 -2.04 -0.24 0.00 -0.60 0.00 0.00 54.58 51.76 2bn4 n ASN 462 Cb 0.48 0.95 -0.04 0.00 -0.53 0.00 0.00 39.78 40.64 2bn4 n ASN 462 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2bn4 s PHE 463 N 0.18 3.18 0.38 1.20 -0.12 -0.98 -4.87 117.98 116.96 2bn4 s PHE 463 Ca 0.26 -0.05 -0.27 0.00 -0.05 0.00 0.00 56.93 56.82 2bn4 s PHE 463 Cb 0.22 -1.47 -0.09 0.00 -0.63 0.00 0.00 43.02 41.05 2bn4 s PHE 463 CO -0.12 0.51 1.32 -2.14 -0.05 0.00 0.00 175.22 174.74 2bn4 s PRO 464 N -3.56 4.09 0.05 1.99 0.02 -1.26 -0.04 135.00 136.29 2bn4 s PRO 464 Ca 0.32 2.21 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 2bn4 s PRO 464 Cb -0.09 -2.86 -0.09 0.00 0.02 0.00 0.00 34.50 31.47 2bn4 s PRO 464 CO 0.25 -0.41 1.97 -1.71 -0.33 0.00 0.00 177.00 176.77 2bn4 n ASN 465 N 0.35 4.18 0.00 2.53 2.85 -1.26 -4.76 115.26 119.14 2bn4 n ASN 465 Ca 0.02 0.91 0.12 0.00 -0.11 0.00 0.00 54.58 55.52 2bn4 n ASN 465 Cb 0.43 -1.53 0.54 0.00 1.24 0.00 0.00 39.78 40.46 2bn4 n ASN 465 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2bn4 n PRO 466 N 7.41 0.05 -0.06 1.20 -0.02 -1.26 -4.17 135.00 138.15 2bn4 n PRO 466 Ca 0.20 0.07 -0.08 0.00 -2.02 0.00 0.00 63.50 61.67 2bn4 n PRO 466 Cb 0.41 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 2bn4 n PRO 466 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2bn4 n GLU 467 N -1.47 0.41 -3.16 -0.52 -0.58 -1.26 -4.83 120.64 109.23 2bn4 n GLU 467 Ca 0.07 0.17 -0.45 0.00 -0.42 0.00 0.00 57.16 56.52 2bn4 n GLU 467 Cb 0.27 -1.22 -0.02 0.00 -0.57 0.00 0.00 31.44 29.90 2bn4 n GLU 467 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2bn4 s LEU 468 N -7.67 5.98 0.26 -4.62 1.43 -1.26 -4.91 118.68 107.88 2bn4 s LEU 468 Ca -0.23 -2.65 -0.04 0.00 -1.03 0.00 0.00 54.13 50.19 2bn4 s LEU 468 Cb 0.04 -2.29 0.52 0.00 0.03 0.00 0.00 46.19 44.49 2bn4 s LEU 468 CO 0.34 -0.71 1.66 -0.65 0.23 0.00 0.00 176.35 177.22 2bn4 h PRO 469 N 7.89 0.21 0.00 1.29 0.11 -1.88 0.26 132.00 139.88 2bn4 h PRO 469 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2bn4 h PRO 469 Cb 0.99 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2bn4 h PRO 469 CO 0.95 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 178.64 2bn4 n ASP 470 N -5.21 0.00 -4.90 -2.05 8.00 -1.26 -4.81 116.55 106.32 2bn4 n ASP 470 Ca 0.16 -0.52 -0.29 0.00 0.71 0.00 0.00 54.79 54.85 2bn4 n ASP 470 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2bn4 n ASP 470 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bn4 s ALA 471 N -2.00 3.53 0.37 2.24 0.00 0.90 -5.05 121.76 121.75 2bn4 s ALA 471 Ca 0.24 -0.46 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 2bn4 s ALA 471 Cb 0.11 -2.43 -0.11 0.00 0.00 0.00 0.00 23.12 20.69 2bn4 s ALA 471 CO 0.19 0.14 1.49 -2.30 0.00 0.00 0.00 175.76 175.28 2bn4 n PRO 472 N -1.10 2.67 -1.68 0.00 -0.02 -1.26 -4.52 135.00 129.09 2bn4 n PRO 472 Ca -0.00 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 2bn4 n PRO 472 Cb 0.54 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 2bn4 n PRO 472 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2bn4 n PRO 473 N 0.49 1.99 -2.08 0.52 -0.02 -1.26 -4.50 135.00 130.15 2bn4 n PRO 473 Ca 0.01 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2bn4 n PRO 473 Cb 0.39 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 2bn4 n PRO 473 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bn4 s VAL 474 N -0.82 3.54 0.14 -1.45 1.01 0.95 -4.89 120.40 118.87 2bn4 s VAL 474 Ca 0.59 0.51 0.07 0.00 0.00 0.00 0.00 61.98 63.15 2bn4 s VAL 474 Cb -0.61 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2bn4 s VAL 474 CO 0.59 -0.58 -0.04 0.68 0.00 0.00 0.00 175.10 175.75 2bn4 s VAL 475 N 7.01 3.63 0.48 2.92 -7.23 -1.26 -2.31 120.40 123.64 2bn4 s VAL 475 Ca 0.74 -1.31 -0.02 0.00 -1.81 0.00 0.00 61.98 59.58 2bn4 s VAL 475 Cb -0.19 -2.77 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 2bn4 s VAL 475 CO 0.31 0.00 0.73 -0.83 -0.31 0.00 0.00 175.10 175.00 2bn4 s GLY 476 N -2.58 1.56 -0.07 2.32 0.00 -1.03 -4.94 107.32 102.59 2bn4 s GLY 476 Ca 0.25 -0.92 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 2bn4 s GLY 476 CO 0.17 -0.73 -0.08 -0.62 0.00 0.00 0.00 173.10 171.83 2bn4 n VAL 477 N -2.20 0.67 -0.24 1.40 0.31 -1.26 -4.09 118.33 112.91 2bn4 n VAL 477 Ca 0.02 0.37 0.07 0.00 -0.01 0.00 0.00 64.34 64.79 2bn4 n VAL 477 Cb 0.57 -1.92 0.33 0.00 -0.91 0.00 0.00 33.84 31.91 2bn4 n VAL 477 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2bn4 h THR 478 N -0.47 0.99 0.12 2.52 2.02 -1.94 -1.97 112.91 114.18 2bn4 h THR 478 Ca 0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2bn4 h THR 478 Cb 0.24 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2bn4 h THR 478 CO 0.00 0.15 -0.06 0.71 0.37 0.00 0.00 175.52 176.69 2bn4 h THR 479 N 0.82 0.93 -0.11 3.16 1.35 -1.91 -2.10 112.91 115.03 2bn4 h THR 479 Ca 0.37 -0.17 -0.09 0.00 -0.55 0.00 0.00 66.41 65.97 2bn4 h THR 479 Cb 0.36 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 2bn4 h THR 479 CO -0.14 0.04 -0.35 0.78 -0.25 0.00 0.00 175.52 175.60 2bn4 h ASN 480 N -0.24 0.23 -0.95 5.36 2.35 -1.68 -2.20 115.58 118.45 2bn4 h ASN 480 Ca -0.02 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2bn4 h ASN 480 Cb 0.19 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 2bn4 h ASN 480 CO 0.03 0.57 0.63 0.25 -1.65 0.00 0.00 177.43 177.26 2bn4 h LEU 481 N 0.20 1.08 -0.53 1.61 5.85 -1.18 0.38 115.31 122.73 2bn4 h LEU 481 Ca 0.02 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 2bn4 h LEU 481 Cb 0.71 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2bn4 h LEU 481 CO 0.05 0.78 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.64 2bn4 h LEU 482 N 1.28 0.98 -0.06 2.25 3.38 -1.01 -2.40 115.31 119.72 2bn4 h LEU 482 Ca 0.35 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2bn4 h LEU 482 Cb -0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.35 2bn4 h LEU 482 CO -0.08 1.16 0.02 -0.09 0.09 0.00 0.00 178.44 179.54 2bn4 h ARG 483 N 0.82 0.10 -0.71 1.13 2.43 -0.67 0.32 114.38 117.80 2bn4 h ARG 483 Ca 0.11 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 2bn4 h ARG 483 Cb 0.80 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.24 2bn4 h ARG 483 CO 0.07 0.26 0.26 -0.97 -1.51 0.00 0.00 179.97 178.07 2bn4 h ASN 484 N -0.08 0.22 0.57 -3.80 -1.24 -0.21 0.50 115.58 111.55 2bn4 h ASN 484 Ca 0.02 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 2bn4 h ASN 484 Cb 0.20 0.10 0.01 0.00 0.73 0.00 0.00 38.32 39.35 2bn4 h ASN 484 CO -0.00 0.09 -0.27 0.40 -1.29 0.00 0.00 177.43 176.36 2bn4 h ILE 485 N 0.41 0.00 -0.91 2.57 2.04 -1.05 0.50 117.51 121.07 2bn4 h ILE 485 Ca 0.38 -0.04 0.16 0.00 1.00 0.00 0.00 64.86 66.36 2bn4 h ILE 485 Cb 0.57 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.49 2bn4 h ILE 485 CO -0.39 0.00 -0.31 1.67 0.00 0.00 0.00 178.15 179.12 2bn4 n GLN 486 N -4.17 -0.17 -0.13 2.37 0.00 0.11 0.15 117.38 115.54 2bn4 n GLN 486 Ca -0.10 1.41 -0.06 0.00 -0.00 0.00 0.00 57.00 58.25 2bn4 n GLN 486 Cb 0.30 -2.09 0.03 0.00 0.00 0.00 0.00 30.24 28.47 2bn4 n GLN 486 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 2bn4 h LEU 487 N 0.00 0.32 -0.43 1.69 3.38 0.10 -1.66 115.31 118.72 2bn4 h LEU 487 Ca 0.36 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.17 2bn4 h LEU 487 Cb 0.59 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2bn4 h LEU 487 CO -0.92 0.23 -0.75 0.00 0.09 0.00 0.00 178.44 177.09 2bn4 h ALA 488 N 1.22 0.63 0.50 1.53 0.00 0.25 -1.91 119.26 121.48 2bn4 h ALA 488 Ca 0.18 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2bn4 h ALA 488 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2bn4 h ALA 488 CO -0.12 0.80 -0.24 0.37 0.00 0.00 0.00 179.25 180.06 2bn4 h GLN 489 N 0.19 -0.64 -7.21 0.00 4.15 0.17 -3.37 115.11 108.39 2bn4 h GLN 489 Ca -0.03 0.04 -0.50 0.00 0.77 0.00 0.00 58.65 58.93 2bn4 h GLN 489 Cb 1.32 0.15 0.09 0.00 0.21 0.00 0.00 27.48 29.25 2bn4 h GLN 489 CO 0.12 -0.37 0.37 -0.80 -1.93 0.00 0.00 178.83 176.22 2bn4 s ASN 490 N -4.69 5.26 -1.22 -0.69 -0.87 -0.65 -4.88 114.94 107.20 2bn4 s ASN 490 Ca -0.16 1.92 -0.05 0.00 -1.57 0.00 0.00 52.86 53.01 2bn4 s ASN 490 Cb 0.03 -2.54 0.20 0.00 -0.02 0.00 0.00 41.25 38.91 2bn4 s ASN 490 CO 0.58 -1.52 2.07 0.59 -2.57 0.00 0.00 177.10 176.25 2bn4 n ASN 491 N -2.41 7.22 -4.75 -1.22 4.13 -1.26 -4.69 115.26 112.28 2bn4 n ASN 491 Ca 0.10 -3.30 -0.40 0.00 1.68 0.00 0.00 54.58 52.66 2bn4 n ASN 491 Cb 0.52 -1.32 -0.06 0.00 -1.54 0.00 0.00 39.78 37.38 2bn4 n ASN 491 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2bn4 s VAL 492 N -1.84 4.11 -1.21 2.41 1.01 -0.72 -4.96 120.40 119.21 2bn4 s VAL 492 Ca 0.46 2.04 -0.21 0.00 0.00 0.00 0.00 61.98 64.26 2bn4 s VAL 492 Cb 0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 2bn4 s VAL 492 CO -0.07 0.48 1.86 0.21 0.00 0.00 0.00 175.10 177.58 2bn4 s ASN 493 N -1.21 5.66 0.32 3.32 2.47 -1.26 -4.71 114.94 119.52 2bn4 s ASN 493 Ca 0.41 -1.87 0.09 0.00 0.42 0.00 0.00 52.86 51.91 2bn4 s ASN 493 Cb -0.25 -2.58 0.91 0.00 -1.45 0.00 0.00 41.25 37.88 2bn4 s ASN 493 CO 0.31 -2.41 1.66 0.40 -3.72 0.00 0.00 177.10 173.34 2bn4 h ILE 494 N 6.04 0.31 -0.49 -5.21 2.04 -1.92 0.61 117.51 118.88 2bn4 h ILE 494 Ca 0.29 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 66.19 2bn4 h ILE 494 Cb 0.92 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2bn4 h ILE 494 CO 1.31 0.05 0.64 0.00 0.00 0.00 0.00 178.15 180.15 2bn4 h ALA 495 N 1.82 2.22 0.00 1.87 0.00 -2.01 0.31 119.26 123.47 2bn4 h ALA 495 Ca 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 2bn4 h ALA 495 Cb 1.41 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2bn4 h ALA 495 CO -0.63 -0.90 -1.91 -1.91 0.00 0.00 0.00 179.25 173.91 2bn4 n GLU 496 N -3.44 0.65 -1.02 0.00 2.13 0.21 -4.97 120.64 114.21 2bn4 n GLU 496 Ca 0.10 -0.16 -0.29 0.00 0.66 0.00 0.00 57.16 57.46 2bn4 n GLU 496 Cb 0.83 -1.55 0.22 0.00 0.27 0.00 0.00 31.44 31.20 2bn4 n GLU 496 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2bn4 s THR 497 N -3.49 1.81 -0.27 6.31 -4.23 0.11 -4.95 115.64 110.93 2bn4 s THR 497 Ca -0.07 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.56 2bn4 s THR 497 Cb 0.13 -2.42 0.77 0.00 1.34 0.00 0.00 72.50 72.33 2bn4 s THR 497 CO 0.90 0.00 1.75 -0.46 -0.54 0.00 0.00 174.62 176.27 2bn4 n ASN 498 N -4.58 5.23 -4.51 3.99 6.94 -1.26 -4.99 115.26 116.08 2bn4 n ASN 498 Ca 0.08 -3.07 -0.41 0.00 -0.02 0.00 0.00 54.58 51.16 2bn4 n ASN 498 Cb 0.58 -0.70 0.01 0.00 -2.36 0.00 0.00 39.78 37.31 2bn4 n ASN 498 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2bn4 n LEU 499 N 0.21 0.97 -0.07 -4.53 7.94 -1.26 -4.92 117.00 115.34 2bn4 n LEU 499 Ca 0.33 0.92 -0.07 0.00 -1.11 0.00 0.00 56.01 56.08 2bn4 n LEU 499 Cb 1.25 -1.20 -0.15 0.00 0.53 0.00 0.00 43.42 43.85 2bn4 n LEU 499 CO 0.36 -2.47 -0.96 -0.81 -1.11 0.00 0.00 177.39 172.40 2bn4 n PRO 500 N 0.31 0.67 -4.33 1.96 -0.04 -1.26 -5.04 135.00 127.28 2bn4 n PRO 500 Ca 0.11 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.39 2bn4 n PRO 500 Cb 0.41 -1.58 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 2bn4 n PRO 500 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bn4 s VAL 501 N -2.65 0.08 -0.01 0.52 -7.23 -1.26 -5.04 120.40 104.80 2bn4 s VAL 501 Ca -0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2bn4 s VAL 501 Cb 0.07 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.57 2bn4 s VAL 501 CO 0.84 0.00 -0.00 -1.00 -0.31 0.00 0.00 175.10 174.63 2bn4 s HIS 502 N -3.35 0.15 0.11 2.82 3.76 -1.26 -4.96 115.29 112.55 2bn4 s HIS 502 Ca 0.38 0.02 0.08 0.00 -0.15 0.00 0.00 55.06 55.38 2bn4 s HIS 502 Cb 0.02 -0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 2bn4 s HIS 502 CO 0.26 -0.05 -0.12 0.71 -0.85 0.00 0.00 174.74 174.69 2bn4 s TYR 503 N 0.48 2.69 -0.97 1.40 1.51 -1.26 -1.14 117.35 120.06 2bn4 s TYR 503 Ca -0.04 -0.18 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 2bn4 s TYR 503 Cb -0.07 -1.41 -0.08 0.00 -0.11 0.00 0.00 41.96 40.29 2bn4 s TYR 503 CO -0.01 0.42 2.01 0.34 -1.11 0.00 0.00 175.55 177.20 2bn4 s ASP 504 N -2.21 4.86 0.23 2.29 -1.08 -1.26 -4.73 116.67 114.77 2bn4 s ASP 504 Ca 0.21 -0.85 0.21 0.00 -0.52 0.00 0.00 52.55 51.60 2bn4 s ASP 504 Cb -0.11 -2.57 0.93 0.00 -1.46 0.00 0.00 42.92 39.72 2bn4 s ASP 504 CO 0.13 -3.09 1.64 0.18 0.52 0.00 0.00 175.17 174.55 2bn4 n LEU 505 N 15.00 0.54 -0.01 -1.34 4.77 -1.26 -2.68 117.00 132.02 2bn4 n LEU 505 Ca 0.42 0.66 -0.16 0.00 -0.03 0.00 0.00 56.01 56.90 2bn4 n LEU 505 Cb 0.46 -0.62 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 2bn4 n LEU 505 CO 0.61 -0.61 0.34 0.78 -1.33 0.00 0.00 177.39 177.18 2bn4 h ASN 506 N 0.00 0.36 0.00 -1.43 2.35 -1.87 -3.37 115.58 111.63 2bn4 h ASN 506 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 56.30 54.99 2bn4 h ASN 506 Cb 0.26 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2bn4 h ASN 506 CO 0.00 1.07 0.00 0.61 -1.65 0.00 0.00 177.43 177.46 2bn4 n GLY 507 N 1.02 0.61 0.00 2.83 0.00 -1.09 -0.06 105.19 108.50 2bn4 n GLY 507 Ca -0.10 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2bn4 n GLY 507 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bn4 n PRO 508 N 0.23 0.00 -3.85 1.61 -0.02 -1.26 -4.35 135.00 127.36 2bn4 n PRO 508 Ca 0.00 0.01 -0.28 0.00 -2.02 0.00 0.00 63.50 61.21 2bn4 n PRO 508 Cb 0.00 -0.54 -0.12 0.00 -0.02 0.00 0.00 33.50 32.82 2bn4 n PRO 508 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bn4 n ARG 509 N -0.05 1.77 -4.21 -0.52 1.74 -1.26 -4.76 116.66 109.37 2bn4 n ARG 509 Ca 0.00 -4.42 -0.36 0.00 -0.77 0.00 0.00 57.85 52.30 2bn4 n ARG 509 Cb 0.00 -2.25 -0.07 0.00 -1.02 0.00 0.00 32.46 29.12 2bn4 n ARG 509 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bn4 n LYS 510 N 1.96 -1.09 0.16 5.56 5.02 -1.24 -4.75 118.16 123.78 2bn4 n LYS 510 Ca 0.21 0.12 0.04 0.00 -2.02 0.00 0.00 58.31 56.66 2bn4 n LYS 510 Cb 0.36 -4.68 0.11 0.00 -0.02 0.00 0.00 35.03 30.80 2bn4 n LYS 510 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2bn4 h LEU 511 N -0.73 0.00 -1.20 -0.35 6.46 -1.77 -3.02 115.31 114.70 2bn4 h LEU 511 Ca -0.50 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 2bn4 h LEU 511 Cb 1.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 2bn4 h LEU 511 CO 0.75 0.44 0.00 0.49 -0.62 0.00 0.00 178.44 179.50 2bn4 n PHE 512 N -3.27 0.14 -1.45 1.25 0.99 0.91 -4.92 117.46 111.12 2bn4 n PHE 512 Ca 0.02 -0.07 -0.40 0.00 -0.00 0.00 0.00 57.45 57.00 2bn4 n PHE 512 Cb 0.67 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 39.18 2bn4 n PHE 512 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2bn4 n ALA 513 N 0.42 -1.33 -2.63 4.37 0.00 -1.13 -0.73 120.51 119.49 2bn4 n ALA 513 Ca 0.17 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 2bn4 n ALA 513 Cb 0.38 -1.79 0.02 0.00 0.00 0.00 0.00 19.45 18.05 2bn4 n ALA 513 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bn4 n ASN 514 N 0.92 -3.58 -3.49 0.00 3.02 -1.26 -4.07 115.26 106.80 2bn4 n ASN 514 Ca 0.11 -0.14 -0.15 0.00 -0.03 0.00 0.00 54.58 54.38 2bn4 n ASN 514 Cb 0.44 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 2bn4 n ASN 514 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2bn4 n TYR 515 N -3.78 -2.43 -4.52 3.10 0.53 -1.13 -4.48 117.16 104.47 2bn4 n TYR 515 Ca -0.05 0.95 -0.27 0.00 -1.02 0.00 0.00 57.90 57.51 2bn4 n TYR 515 Cb 0.55 -3.34 -0.10 0.00 -1.03 0.00 0.00 39.34 35.41 2bn4 n TYR 515 CO 0.00 0.00 0.00 0.15 -1.02 0.00 0.00 176.86 175.99 2bn4 s LYS 516 N -4.18 1.98 0.06 -0.72 1.02 0.09 -0.47 119.74 117.51 2bn4 s LYS 516 Ca 0.01 -2.01 -0.27 0.00 0.02 0.00 0.00 55.97 53.73 2bn4 s LYS 516 Cb -0.01 -1.72 0.08 0.00 -0.52 0.00 0.00 37.83 35.66 2bn4 s LYS 516 CO 0.84 -0.01 0.67 -0.51 -0.92 0.00 0.00 175.35 175.42 2bn4 s LEU 517 N -3.72 -0.57 0.20 3.17 1.43 -0.69 -4.79 118.68 113.71 2bn4 s LEU 517 Ca 0.35 0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 2bn4 s LEU 517 Cb 0.07 2.49 -0.08 0.00 0.03 0.00 0.00 46.19 48.70 2bn4 s LEU 517 CO 0.18 -0.78 1.12 -2.84 0.23 0.00 0.00 176.35 174.26 2bn4 s PRO 518 N -2.67 4.58 0.06 1.29 0.02 -1.26 -1.77 135.00 135.26 2bn4 s PRO 518 Ca -0.03 1.77 -0.22 0.00 0.02 0.00 0.00 61.00 62.54 2bn4 s PRO 518 Cb -0.01 -3.25 0.05 0.00 0.02 0.00 0.00 34.50 31.32 2bn4 s PRO 518 CO -0.04 0.07 0.52 0.08 -0.33 0.00 0.00 177.00 177.31 2bn4 s VAL 519 N -0.43 0.03 0.28 3.83 1.01 -0.76 -1.36 120.40 123.00 2bn4 s VAL 519 Ca 0.49 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 2bn4 s VAL 519 Cb -0.31 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 2bn4 s VAL 519 CO 0.37 -0.13 0.43 -1.38 0.00 0.00 0.00 175.10 174.39 2bn4 s HIS 520 N -2.68 0.74 -0.15 5.22 -3.43 -1.05 0.78 115.29 114.72 2bn4 s HIS 520 Ca -0.04 -1.04 0.02 0.00 -0.80 0.00 0.00 55.06 53.20 2bn4 s HIS 520 Cb -0.00 -0.01 0.01 0.00 -1.43 0.00 0.00 32.58 31.15 2bn4 s HIS 520 CO -0.04 -1.01 -0.21 0.08 -2.00 0.00 0.00 174.74 171.57 2bn4 s VAL 521 N -3.64 2.14 -0.26 -5.38 1.01 -1.26 -1.29 120.40 111.72 2bn4 s VAL 521 Ca 0.28 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.13 2bn4 s VAL 521 Cb 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2bn4 s VAL 521 CO 0.14 0.54 0.54 -0.60 0.00 0.00 0.00 175.10 175.72 2bn4 s ARG 522 N 0.96 4.08 0.00 2.72 3.52 -0.78 -4.97 118.95 124.48 2bn4 s ARG 522 Ca -0.03 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 55.64 2bn4 s ARG 522 Cb -0.15 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 2bn4 s ARG 522 CO -0.05 -0.36 1.30 0.50 -0.81 0.00 0.00 175.30 175.88 2bn4 s ARG 523 N 2.33 4.34 0.12 5.12 3.52 -1.26 -2.23 118.95 130.89 2bn4 s ARG 523 Ca 0.22 1.84 0.01 0.00 -0.13 0.00 0.00 55.73 57.67 2bn4 s ARG 523 Cb -0.16 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 2bn4 s ARG 523 CO 0.09 -0.46 0.09 -1.13 -0.81 0.00 0.00 175.30 173.07 2bn4 n SER 524 N 4.93 1.44 -0.01 -2.12 3.41 -1.26 -4.97 113.62 115.04 2bn4 n SER 524 Ca 0.11 -1.43 0.08 0.00 -0.26 0.00 0.00 58.87 57.37 2bn4 n SER 524 Cb 0.45 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 2bn4 n SER 524 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2bn4 n ASN 525 N -1.92 1.32 -4.54 4.04 3.02 -1.26 -4.91 115.26 111.00 2bn4 n ASN 525 Ca -0.01 -0.05 -0.24 0.00 -0.03 0.00 0.00 54.58 54.25 2bn4 n ASN 525 Cb 0.14 1.69 -0.09 0.00 -0.61 0.00 0.00 39.78 40.91 2bn4 n ASN 525 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2bn4 n PHE 526 N -2.01 1.02 -4.15 3.10 7.35 -1.26 -4.88 117.46 116.62 2bn4 n PHE 526 Ca -0.03 0.07 -0.17 0.00 -0.76 0.00 0.00 57.45 56.56 2bn4 n PHE 526 Cb 0.41 -2.30 -0.12 0.00 0.35 0.00 0.00 39.48 37.82 2bn4 n PHE 526 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2bn4 s ARG 527 N 8.46 0.75 0.11 -4.13 1.81 -1.26 -4.22 118.95 120.47 2bn4 s ARG 527 Ca 1.05 -0.90 -0.27 0.00 -1.72 0.00 0.00 55.73 53.89 2bn4 s ARG 527 Cb -0.36 -0.69 -0.06 0.00 -0.45 0.00 0.00 34.95 33.38 2bn4 s ARG 527 CO 0.25 0.15 0.82 -1.17 -0.68 0.00 0.00 175.30 174.68 2bn4 s LEU 528 N -1.68 4.52 0.43 2.53 0.20 -1.26 -4.99 118.68 118.42 2bn4 s LEU 528 Ca -0.04 1.62 -0.13 0.00 0.69 0.00 0.00 54.13 56.27 2bn4 s LEU 528 Cb -0.10 -3.36 -0.11 0.00 -0.43 0.00 0.00 46.19 42.20 2bn4 s LEU 528 CO 0.02 0.06 -0.18 -2.65 -0.29 0.00 0.00 176.35 173.31 2bn4 n PRO 529 N 2.37 0.00 0.28 0.98 -0.02 -1.26 -4.89 135.00 132.45 2bn4 n PRO 529 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.33 2bn4 n PRO 529 Cb 0.49 -0.72 -0.06 0.00 -0.02 0.00 0.00 33.50 33.19 2bn4 n PRO 529 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2bn4 h SER 530 N -0.13 -0.63 -2.29 2.55 0.02 -2.00 -3.41 113.55 107.67 2bn4 h SER 530 Ca -0.30 -0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.05 2bn4 h SER 530 Cb 1.03 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2bn4 h SER 530 CO 0.28 -0.24 1.40 0.21 -1.14 0.00 0.00 176.83 177.34 2bn4 s ASN 531 N -4.71 5.62 0.00 3.07 3.84 -1.26 -4.80 114.94 116.70 2bn4 s ASN 531 Ca -0.13 1.59 0.00 0.00 0.21 0.00 0.00 52.86 54.54 2bn4 s ASN 531 Cb 0.01 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.20 2bn4 s ASN 531 CO 0.40 -1.87 0.71 -2.65 -2.79 0.00 0.00 177.10 170.90 2bn4 n PRO 532 N 8.62 0.00 -0.04 0.43 -0.02 -1.26 -0.96 135.00 141.77 2bn4 n PRO 532 Ca 0.27 0.24 -0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2bn4 n PRO 532 Cb 0.46 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.27 2bn4 n PRO 532 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2bn4 n SER 533 N -1.21 0.39 -4.52 2.55 7.64 -1.26 -2.37 113.62 114.84 2bn4 n SER 533 Ca 0.00 0.18 -0.38 0.00 1.01 0.00 0.00 58.87 59.67 2bn4 n SER 533 Cb 0.03 0.71 0.04 0.00 -1.01 0.00 0.00 64.21 63.98 2bn4 n SER 533 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2bn4 n THR 534 N -2.78 2.64 -2.20 0.44 -1.04 -0.13 -2.73 114.28 108.48 2bn4 n THR 534 Ca -0.20 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 60.99 2bn4 n THR 534 Cb 0.98 -0.84 -0.02 0.00 -1.82 0.00 0.00 70.33 68.63 2bn4 n THR 534 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2bn4 s PRO 535 N -2.23 3.75 -0.06 -2.82 0.02 -1.26 -4.22 135.00 128.18 2bn4 s PRO 535 Ca 0.70 0.94 0.01 0.00 0.02 0.00 0.00 61.00 62.67 2bn4 s PRO 535 Cb -0.46 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 31.98 2bn4 s PRO 535 CO 0.53 -0.44 -0.05 0.08 -0.33 0.00 0.00 177.00 176.79 2bn4 s VAL 536 N -2.74 0.61 -0.18 3.83 1.01 0.11 -0.53 120.40 122.51 2bn4 s VAL 536 Ca 0.59 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.43 2bn4 s VAL 536 Cb -0.11 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2bn4 s VAL 536 CO 0.38 0.25 -0.16 -0.63 0.00 0.00 0.00 175.10 174.94 2bn4 s ILE 537 N 1.11 2.43 -0.06 2.22 1.01 0.83 0.41 121.20 129.15 2bn4 s ILE 537 Ca -0.08 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2bn4 s ILE 537 Cb -0.14 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 2bn4 s ILE 537 CO -0.01 0.51 -0.23 -0.04 0.00 0.00 0.00 174.94 175.18 2bn4 s MET 538 N 1.21 2.62 -0.28 2.79 -1.94 0.96 -0.54 119.30 124.11 2bn4 s MET 538 Ca 0.02 -0.86 -0.01 0.00 -1.71 0.00 0.00 55.69 53.13 2bn4 s MET 538 Cb -0.14 -2.23 0.09 0.00 2.01 0.00 0.00 34.83 34.56 2bn4 s MET 538 CO -0.08 0.40 0.08 0.42 -0.01 0.00 0.00 175.02 175.83 2bn4 s ILE 539 N -0.20 0.85 -0.34 2.53 1.01 0.16 0.21 121.20 125.43 2bn4 s ILE 539 Ca -0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 60.65 59.39 2bn4 s ILE 539 Cb -0.13 -1.56 0.13 0.00 0.01 0.00 0.00 42.46 40.91 2bn4 s ILE 539 CO 0.03 -0.55 0.18 -0.83 0.00 0.00 0.00 174.94 173.78 2bn4 s GLY 540 N 1.65 0.79 0.17 6.18 0.00 -0.97 -0.78 107.32 114.36 2bn4 s GLY 540 Ca 0.07 -1.66 -0.31 0.00 0.00 0.00 0.00 44.72 42.81 2bn4 s GLY 540 CO -0.21 2.04 1.46 -4.14 0.00 0.00 0.00 173.10 172.25 2bn4 s PRO 541 N 1.36 4.27 1.86 2.90 0.02 -1.24 -3.45 135.00 140.71 2bn4 s PRO 541 Ca 0.15 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.40 2bn4 s PRO 541 Cb -0.21 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2bn4 s PRO 541 CO -0.11 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 2bn4 n GLY 542 N 3.22 2.76 0.22 0.52 0.00 0.46 -1.58 105.19 110.80 2bn4 n GLY 542 Ca 0.11 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.20 2bn4 n GLY 542 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bn4 n THR 543 N 0.00 -0.27 0.03 2.61 -1.04 -1.26 0.38 114.28 114.73 2bn4 n THR 543 Ca 0.00 1.42 0.00 0.00 -2.04 0.00 0.00 64.05 63.43 2bn4 n THR 543 Cb 0.00 -2.07 0.01 0.00 -1.82 0.00 0.00 70.33 66.44 2bn4 n THR 543 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bn4 n GLY 544 N -1.33 -0.02 0.15 3.41 0.00 -0.61 -2.26 105.19 104.53 2bn4 n GLY 544 Ca 0.15 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2bn4 n GLY 544 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bn4 h VAL 545 N 0.00 0.00 -0.83 1.61 3.04 -0.10 -3.37 116.25 116.60 2bn4 h VAL 545 Ca 0.00 -0.70 0.18 0.00 -1.01 0.00 0.00 66.70 65.17 2bn4 h VAL 545 Cb 0.00 1.66 -0.15 0.00 -2.01 0.00 0.00 31.29 30.78 2bn4 h VAL 545 CO 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 177.57 176.42 2bn4 h ALA 546 N 2.30 0.67 0.00 3.17 0.00 -1.68 0.25 119.26 123.97 2bn4 h ALA 546 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2bn4 h ALA 546 Cb 0.85 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2bn4 h ALA 546 CO 0.00 -0.42 -0.08 -1.35 0.00 0.00 0.00 179.25 177.40 2bn4 h PRO 547 N 0.02 0.00 0.00 0.00 0.11 -1.73 -1.59 132.00 128.81 2bn4 h PRO 547 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2bn4 h PRO 547 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2bn4 h PRO 547 CO -0.82 0.08 -0.79 0.74 -0.21 0.00 0.00 178.00 177.00 2bn4 h PHE 548 N 0.00 0.00 -0.55 0.65 0.05 -0.81 -1.88 116.94 114.41 2bn4 h PHE 548 Ca -0.00 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.69 2bn4 h PHE 548 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.25 2bn4 h PHE 548 CO 0.00 0.00 -0.06 -0.09 -0.18 0.00 0.00 178.31 177.98 2bn4 h ARG 549 N 0.00 1.01 0.59 1.51 2.43 -0.28 -0.81 114.38 118.84 2bn4 h ARG 549 Ca 0.00 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 2bn4 h ARG 549 Cb 0.95 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2bn4 h ARG 549 CO 0.00 1.04 -0.29 0.78 -1.51 0.00 0.00 179.97 179.99 2bn4 h GLY 550 N 0.89 -0.83 -0.94 2.80 0.00 -1.22 0.53 103.07 104.30 2bn4 h GLY 550 Ca 0.15 0.31 0.24 0.00 0.00 0.00 0.00 47.33 48.03 2bn4 h GLY 550 CO 0.04 -0.30 -0.07 0.74 0.00 0.00 0.00 176.54 176.95 2bn4 h PHE 551 N -1.05 -0.21 -0.01 5.60 -1.00 -1.21 1.26 116.94 120.32 2bn4 h PHE 551 Ca -0.08 0.08 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 2bn4 h PHE 551 Cb 0.67 0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.48 2bn4 h PHE 551 CO 0.00 -0.42 -0.25 0.82 -1.61 0.00 0.00 178.31 176.85 2bn4 h ILE 552 N 0.01 1.53 -0.33 -0.55 5.03 -1.07 0.21 117.51 122.34 2bn4 h ILE 552 Ca 0.55 -1.91 0.07 0.00 -0.12 0.00 0.00 64.86 63.45 2bn4 h ILE 552 Cb 1.04 2.72 -0.08 0.00 -3.03 0.00 0.00 36.82 37.46 2bn4 h ILE 552 CO -0.94 0.52 -0.25 0.03 -0.68 0.00 0.00 178.15 176.83 2bn4 h ARG 553 N -0.47 -0.20 -0.24 2.37 3.08 0.66 0.12 114.38 119.69 2bn4 h ARG 553 Ca -0.03 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 2bn4 h ARG 553 Cb 0.99 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.04 2bn4 h ARG 553 CO 0.05 -0.14 -0.09 1.49 -1.07 0.00 0.00 179.97 180.21 2bn4 h GLU 554 N -0.21 -0.04 0.00 0.04 4.57 0.15 0.15 114.58 119.24 2bn4 h GLU 554 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2bn4 h GLU 554 Cb 0.47 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2bn4 h GLU 554 CO -0.46 -0.03 0.00 0.54 -1.18 0.00 0.00 179.01 177.88 2bn4 n ARG 555 N -5.25 0.04 -0.11 1.92 5.12 0.72 -2.37 116.66 116.72 2bn4 n ARG 555 Ca -0.01 0.26 -0.20 0.00 -1.93 0.00 0.00 57.85 55.97 2bn4 n ARG 555 Cb 0.17 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 29.85 2bn4 n ARG 555 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2bn4 n VAL 556 N -1.44 1.54 0.31 1.55 0.31 0.32 -3.25 118.33 117.67 2bn4 n VAL 556 Ca 0.04 -0.54 0.19 0.00 -0.01 0.00 0.00 64.34 64.02 2bn4 n VAL 556 Cb 0.13 -1.55 1.02 0.00 -0.91 0.00 0.00 33.84 32.53 2bn4 n VAL 556 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bn4 h ALA 557 N -0.16 1.15 0.02 3.52 0.00 -0.53 -1.14 119.26 122.11 2bn4 h ALA 557 Ca -0.57 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2bn4 h ALA 557 Cb 1.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2bn4 h ALA 557 CO -0.12 0.02 -0.01 0.35 0.00 0.00 0.00 179.25 179.50 2bn4 h PHE 558 N 0.00 -0.02 -0.51 0.00 3.57 -1.61 -2.94 116.94 115.43 2bn4 h PHE 558 Ca -0.00 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.65 2bn4 h PHE 558 Cb 0.11 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2bn4 h PHE 558 CO 0.00 -0.01 0.68 1.25 -2.23 0.00 0.00 178.31 177.99 2bn4 h LEU 559 N -0.19 0.00 0.29 0.59 5.85 -1.52 0.70 115.31 121.03 2bn4 h LEU 559 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2bn4 h LEU 559 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2bn4 h LEU 559 CO 0.00 0.00 -0.14 -0.08 -0.34 0.00 0.00 178.44 177.88 2bn4 h GLU 560 N 0.00 -0.38 -0.33 1.25 4.57 -1.29 -2.28 114.58 116.13 2bn4 h GLU 560 Ca 0.24 0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.50 2bn4 h GLU 560 Cb 1.59 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 30.21 2bn4 h GLU 560 CO -0.00 -0.04 -0.02 0.77 -1.18 0.00 0.00 179.01 178.55 2bn4 h SER 561 N -0.81 -0.16 0.01 1.04 0.02 0.54 -0.47 113.55 113.72 2bn4 h SER 561 Ca -0.04 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2bn4 h SER 561 Cb 0.51 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 2bn4 h SER 561 CO 0.07 -0.05 -0.00 1.56 -1.14 0.00 0.00 176.83 177.27 2bn4 h GLN 562 N 0.07 0.00 0.05 3.45 1.08 -1.23 -0.25 115.11 118.28 2bn4 h GLN 562 Ca 0.16 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.11 2bn4 h GLN 562 Cb 0.22 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2bn4 h GLN 562 CO -0.28 0.00 -1.20 0.87 -0.95 0.00 0.00 178.83 177.28 2bn4 h LYS 563 N 0.00 0.10 -1.94 1.46 6.56 -0.52 -1.40 116.57 120.83 2bn4 h LYS 563 Ca -0.00 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 2bn4 h LYS 563 Cb 0.01 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2bn4 h LYS 563 CO 0.00 1.02 0.00 0.36 -2.06 0.00 0.00 179.45 178.77 2bn4 n LYS 564 N -3.38 0.70 0.00 3.15 -0.00 -0.11 -4.74 118.16 113.79 2bn4 n LYS 564 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2bn4 n LYS 564 Cb 0.98 -1.15 0.00 0.00 -0.00 0.00 0.00 35.03 34.86 2bn4 n LYS 564 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bn4 n GLY 565 N 1.56 2.30 0.00 2.58 0.00 -1.24 -4.96 105.19 105.43 2bn4 n GLY 565 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2bn4 n GLY 565 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bn4 n GLY 566 N 0.00 0.00 2.25 -0.02 0.00 -1.23 -4.68 105.19 101.51 2bn4 n GLY 566 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bn4 n GLY 566 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bn4 n ASN 567 N -0.38 -5.70 -4.57 1.61 0.23 -0.62 -4.83 115.26 101.00 2bn4 n ASN 567 Ca 0.00 0.86 -0.56 0.00 -0.53 0.00 0.00 54.58 54.35 2bn4 n ASN 567 Cb 0.06 -3.66 -0.08 0.00 -2.08 0.00 0.00 39.78 34.02 2bn4 n ASN 567 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2bn4 n ASN 568 N 0.40 2.05 -4.37 0.53 4.13 -0.65 -4.88 115.26 112.47 2bn4 n ASN 568 Ca 0.00 0.83 -0.45 0.00 1.68 0.00 0.00 54.58 56.64 2bn4 n ASN 568 Cb 0.01 -1.13 -0.00 0.00 -1.54 0.00 0.00 39.78 37.12 2bn4 n ASN 568 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2bn4 s VAL 569 N 4.99 5.71 0.00 2.41 0.11 -1.26 -5.01 120.40 127.35 2bn4 s VAL 569 Ca 1.05 -3.09 0.00 0.00 -2.93 0.00 0.00 61.98 57.01 2bn4 s VAL 569 Cb -1.08 -4.67 0.00 0.00 -1.53 0.00 0.00 36.38 29.10 2bn4 s VAL 569 CO 0.62 -1.28 0.00 -1.20 -3.33 0.00 0.00 175.10 169.91 2bn4 n SER 570 N 3.61 -3.34 0.00 3.54 7.64 -1.26 -4.88 113.62 118.93 2bn4 n SER 570 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2bn4 n SER 570 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2bn4 n SER 570 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bn4 n LEU 571 N 0.00 0.00 -4.41 -3.43 7.94 -1.26 -4.96 117.00 110.88 2bn4 n LEU 571 Ca 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 2bn4 n LEU 571 Cb 0.00 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.12 2bn4 n LEU 571 CO 0.00 0.00 -0.05 0.61 -1.11 0.00 0.00 177.39 176.84 2bn4 n GLY 572 N 0.00 -1.98 3.70 -3.96 0.00 -1.00 -4.86 105.19 97.09 2bn4 n GLY 572 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2bn4 n GLY 572 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bn4 s LYS 573 N -3.84 4.44 -0.17 1.61 2.47 -1.26 -4.82 119.74 118.16 2bn4 s LYS 573 Ca 0.60 1.57 -0.02 0.00 -1.56 0.00 0.00 55.97 56.56 2bn4 s LYS 573 Cb -0.19 -3.48 -0.01 0.00 -1.46 0.00 0.00 37.83 32.69 2bn4 s LYS 573 CO 0.65 -0.27 -0.09 -1.01 0.16 0.00 0.00 175.35 174.79 2bn4 s HIS 574 N 1.59 2.88 -0.06 4.03 3.76 0.14 -0.71 115.29 126.92 2bn4 s HIS 574 Ca 0.54 -0.83 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 2bn4 s HIS 574 Cb -0.23 -1.97 -0.01 0.00 1.11 0.00 0.00 32.58 31.48 2bn4 s HIS 574 CO 0.24 -0.39 -0.23 -1.50 -0.85 0.00 0.00 174.74 172.01 2bn4 s ILE 575 N 0.90 2.20 -0.23 0.60 1.10 0.17 -2.46 121.20 123.47 2bn4 s ILE 575 Ca -0.02 -1.01 0.01 0.00 -0.51 0.00 0.00 60.65 59.12 2bn4 s ILE 575 Cb -0.15 -1.81 0.06 0.00 0.15 0.00 0.00 42.46 40.71 2bn4 s ILE 575 CO 0.00 0.57 -0.07 -0.22 -2.11 0.00 0.00 174.94 173.11 2bn4 s LEU 576 N -0.14 2.61 -0.55 8.50 2.96 -0.47 -0.03 118.68 131.56 2bn4 s LEU 576 Ca -0.04 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.52 2bn4 s LEU 576 Cb -0.14 -1.23 0.07 0.00 0.50 0.00 0.00 46.19 45.39 2bn4 s LEU 576 CO 0.04 -0.22 0.74 -0.36 -1.32 0.00 0.00 176.35 175.23 2bn4 s PHE 577 N 1.36 2.94 0.42 5.38 0.40 0.13 -1.00 117.98 127.61 2bn4 s PHE 577 Ca -0.05 -0.54 0.08 0.00 -0.60 0.00 0.00 56.93 55.82 2bn4 s PHE 577 Cb -0.19 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.52 2bn4 s PHE 577 CO -0.06 -1.22 0.53 -0.47 0.70 0.00 0.00 175.22 174.70 2bn4 s TYR 578 N 3.06 2.81 -0.29 0.36 5.04 -0.17 -2.28 117.35 125.87 2bn4 s TYR 578 Ca 0.18 -0.41 -0.22 0.00 -2.44 0.00 0.00 57.07 54.18 2bn4 s TYR 578 Cb -0.19 -2.33 0.17 0.00 0.35 0.00 0.00 41.96 39.96 2bn4 s TYR 578 CO 0.12 -0.35 1.23 0.20 -1.34 0.00 0.00 175.55 175.41 2bn4 s GLY 579 N -4.30 0.20 0.31 8.97 0.00 -1.26 -2.04 107.32 109.19 2bn4 s GLY 579 Ca 0.53 3.27 -0.12 0.00 0.00 0.00 0.00 44.72 48.40 2bn4 s GLY 579 CO 0.32 2.12 0.60 -1.35 0.00 0.00 0.00 173.10 174.79 2bn4 s SER 580 N 0.41 0.14 0.18 1.64 1.04 -0.77 0.17 113.70 116.53 2bn4 s SER 580 Ca 0.02 -1.06 -0.15 0.00 0.48 0.00 0.00 55.95 55.23 2bn4 s SER 580 Cb -0.04 0.70 0.15 0.00 0.10 0.00 0.00 66.02 66.93 2bn4 s SER 580 CO -0.12 -1.35 1.66 0.03 0.98 0.00 0.00 173.24 174.44 2bn4 h ARG 581 N 2.11 0.03 0.00 4.02 3.08 -1.89 -2.50 114.38 119.23 2bn4 h ARG 581 Ca -0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2bn4 h ARG 581 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2bn4 h ARG 581 CO 0.35 0.02 0.00 0.27 -1.07 0.00 0.00 179.97 179.54 2bn4 n ASN 582 N -5.31 0.36 -0.78 7.04 2.04 -1.26 -2.22 115.26 115.13 2bn4 n ASN 582 Ca 0.04 0.00 0.09 0.00 -0.44 0.00 0.00 54.58 54.28 2bn4 n ASN 582 Cb 0.26 0.00 0.27 0.00 -2.53 0.00 0.00 39.78 37.78 2bn4 n ASN 582 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2bn4 n THR 583 N 0.00 0.43 0.67 5.53 -2.24 -1.26 -3.47 114.28 113.94 2bn4 n THR 583 Ca 0.00 -0.53 0.07 0.00 -2.27 0.00 0.00 64.05 61.32 2bn4 n THR 583 Cb 0.00 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.63 2bn4 n THR 583 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bn4 n ASP 584 N 0.74 1.06 -0.02 3.42 10.43 -1.26 -4.31 116.55 126.62 2bn4 n ASP 584 Ca 0.16 -1.03 0.01 0.00 2.57 0.00 0.00 54.79 56.50 2bn4 n ASP 584 Cb 0.40 0.77 0.01 0.00 1.84 0.00 0.00 41.12 44.14 2bn4 n ASP 584 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2bn4 n ASP 585 N -0.81 1.51 -4.57 -2.24 5.75 -1.25 0.62 116.55 115.56 2bn4 n ASP 585 Ca 0.04 -1.86 -0.40 0.00 -0.01 0.00 0.00 54.79 52.56 2bn4 n ASP 585 Cb 0.27 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 2bn4 n ASP 585 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bn4 s PHE 586 N -0.89 1.73 0.19 2.11 5.99 -1.23 -4.86 117.98 121.02 2bn4 s PHE 586 Ca 0.03 0.76 -0.31 0.00 0.00 0.00 0.00 56.93 57.40 2bn4 s PHE 586 Cb 0.02 -4.09 -0.10 0.00 0.00 0.00 0.00 43.02 38.85 2bn4 s PHE 586 CO 0.00 -2.54 1.55 -0.51 -0.00 0.00 0.00 175.22 173.72 2bn4 s LEU 587 N 8.19 4.37 -0.81 6.12 1.43 -1.26 -3.05 118.68 133.68 2bn4 s LEU 587 Ca 0.73 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.49 2bn4 s LEU 587 Cb -0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2bn4 s LEU 587 CO 0.26 -0.81 0.00 -1.22 0.23 0.00 0.00 176.35 174.82 2bn4 n TYR 588 N 3.48 -1.44 -0.34 0.29 4.02 -1.26 -4.81 117.16 117.09 2bn4 n TYR 588 Ca 0.12 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.03 2bn4 n TYR 588 Cb 0.39 -2.28 0.09 0.00 -0.02 0.00 0.00 39.34 37.51 2bn4 n TYR 588 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2bn4 n GLN 589 N -2.59 -0.15 -0.22 -0.72 7.27 -1.17 0.49 117.38 120.28 2bn4 n GLN 589 Ca -0.11 1.43 0.17 0.00 0.07 0.00 0.00 57.00 58.56 2bn4 n GLN 589 Cb 0.55 -2.13 0.49 0.00 2.41 0.00 0.00 30.24 31.56 2bn4 n GLN 589 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 2bn4 h ASP 590 N 0.00 0.45 -0.09 1.69 2.03 -1.89 -3.25 116.42 115.35 2bn4 h ASP 590 Ca 0.38 0.04 -0.21 0.00 -0.73 0.00 0.00 57.03 56.52 2bn4 h ASP 590 Cb 0.61 -0.05 0.01 0.00 -0.83 0.00 0.00 39.33 39.08 2bn4 h ASP 590 CO -0.93 0.20 -0.75 -0.33 -1.03 0.00 0.00 179.24 176.40 2bn4 h GLU 591 N 0.46 0.67 -0.81 4.15 5.08 -0.33 -3.38 114.58 120.42 2bn4 h GLU 591 Ca 0.44 -0.60 0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2bn4 h GLU 591 Cb 1.00 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 2bn4 h GLU 591 CO -0.17 1.21 0.38 -1.49 -1.00 0.00 0.00 179.01 177.94 2bn4 h TRP 592 N 0.34 0.66 -0.05 4.33 4.06 -1.58 -0.76 115.95 122.94 2bn4 h TRP 592 Ca -0.07 0.04 0.01 0.00 2.06 0.00 0.00 58.89 60.93 2bn4 h TRP 592 Cb 1.40 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2bn4 h TRP 592 CO 0.10 0.12 0.04 -1.35 -3.56 0.00 0.00 178.44 173.80 2bn4 h PRO 593 N 0.54 0.00 0.02 0.49 0.11 -1.78 0.37 132.00 131.74 2bn4 h PRO 593 Ca 0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.56 2bn4 h PRO 593 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2bn4 h PRO 593 CO -0.39 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 178.33 2bn4 h GLU 594 N 0.00 -0.02 -0.02 1.05 4.39 -1.35 -3.01 114.58 115.61 2bn4 h GLU 594 Ca 0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2bn4 h GLU 594 Cb 0.10 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2bn4 h GLU 594 CO -0.00 0.51 0.01 1.88 -1.16 0.00 0.00 179.01 180.26 2bn4 h TYR 595 N -0.58 0.03 -1.07 4.33 0.99 -1.09 -2.37 116.97 117.22 2bn4 h TYR 595 Ca -0.00 -0.00 0.35 0.00 2.00 0.00 0.00 58.73 61.07 2bn4 h TYR 595 Cb 0.55 -0.01 -0.14 0.00 1.00 0.00 0.00 36.73 38.13 2bn4 h TYR 595 CO 0.11 0.09 0.64 0.00 -0.00 0.00 0.00 178.16 179.00 2bn4 h ALA 596 N 0.94 2.16 0.30 3.88 0.00 -0.33 -0.56 119.26 125.64 2bn4 h ALA 596 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2bn4 h ALA 596 Cb 0.07 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bn4 h ALA 596 CO -0.00 -0.77 -0.14 0.87 0.00 0.00 0.00 179.25 179.21 2bn4 h LYS 597 N 0.26 -0.38 -0.82 0.00 1.57 -1.29 -3.07 116.57 112.83 2bn4 h LYS 597 Ca 0.75 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.79 2bn4 h LYS 597 Cb 1.89 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 34.25 2bn4 h LYS 597 CO -0.55 -0.26 0.76 0.87 -0.57 0.00 0.00 179.45 179.71 2bn4 h LYS 598 N -0.66 0.00 0.00 3.15 1.57 -1.23 0.13 116.57 119.53 2bn4 h LYS 598 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2bn4 h LYS 598 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2bn4 h LYS 598 CO 0.07 0.00 -0.13 1.28 -0.57 0.00 0.00 179.45 180.10 2bn4 n LEU 599 N -3.76 0.66 0.00 2.94 4.77 -0.28 -4.98 117.00 116.35 2bn4 n LEU 599 Ca 0.17 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2bn4 n LEU 599 Cb 1.04 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 2bn4 n LEU 599 CO 0.31 -0.12 0.00 0.47 -1.33 0.00 0.00 177.39 176.72 2bn4 n ASP 600 N -2.09 -0.60 -0.11 -1.43 9.92 0.46 -2.90 116.55 119.79 2bn4 n ASP 600 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 2bn4 n ASP 600 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2bn4 n ASP 600 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bn4 n GLY 601 N 0.00 -0.40 0.04 0.44 0.00 -1.26 -3.47 105.19 100.53 2bn4 n GLY 601 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2bn4 n GLY 601 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bn4 n SER 602 N -0.38 0.42 -4.71 1.61 7.64 -1.14 -4.85 113.62 112.21 2bn4 n SER 602 Ca 0.00 0.29 -0.23 0.00 1.01 0.00 0.00 58.87 59.94 2bn4 n SER 602 Cb 0.05 -0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 2bn4 n SER 602 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2bn4 s PHE 603 N -3.05 2.86 -0.30 1.43 5.99 -1.23 0.28 117.98 123.96 2bn4 s PHE 603 Ca 0.11 -0.17 -0.17 0.00 0.00 0.00 0.00 56.93 56.70 2bn4 s PHE 603 Cb 0.16 -1.30 0.18 0.00 0.00 0.00 0.00 43.02 42.07 2bn4 s PHE 603 CO 0.61 0.57 1.13 -2.00 -0.00 0.00 0.00 175.22 175.54 2bn4 s GLU 604 N -3.58 0.17 -0.25 10.12 2.12 -1.03 -4.93 118.70 121.32 2bn4 s GLU 604 Ca 0.31 0.41 -0.04 0.00 0.36 0.00 0.00 54.97 56.01 2bn4 s GLU 604 Cb -0.07 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2bn4 s GLU 604 CO 0.21 -0.06 -0.01 1.41 -0.54 0.00 0.00 175.26 176.27 2bn4 s MET 605 N 2.30 3.21 -0.15 4.30 -2.45 -1.26 -1.36 119.30 123.89 2bn4 s MET 605 Ca -0.01 -0.75 -0.13 0.00 -1.25 0.00 0.00 55.69 53.55 2bn4 s MET 605 Cb -0.04 -3.11 -0.05 0.00 1.25 0.00 0.00 34.83 32.89 2bn4 s MET 605 CO -0.16 -0.30 0.28 0.08 1.05 0.00 0.00 175.02 175.97 2bn4 s VAL 606 N 1.46 5.30 0.18 10.11 1.01 -0.17 -4.96 120.40 133.34 2bn4 s VAL 606 Ca 0.04 0.53 0.09 0.00 0.00 0.00 0.00 61.98 62.63 2bn4 s VAL 606 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2bn4 s VAL 606 CO -0.02 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.73 2bn4 s VAL 607 N 0.23 3.21 -0.03 2.92 1.01 -1.26 -0.99 120.40 125.48 2bn4 s VAL 607 Ca 0.16 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 2bn4 s VAL 607 Cb -0.13 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2bn4 s VAL 607 CO 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 175.10 175.09 2bn4 s ALA 608 N -1.74 -0.07 -0.09 5.51 0.00 -0.87 -4.95 121.76 119.56 2bn4 s ALA 608 Ca 0.25 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.65 2bn4 s ALA 608 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2bn4 s ALA 608 CO 0.15 -0.11 -0.20 -1.01 0.00 0.00 0.00 175.76 174.59 2bn4 s HIS 609 N 0.94 2.62 0.00 0.00 3.76 -1.25 -1.84 115.29 119.51 2bn4 s HIS 609 Ca -0.08 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 2bn4 s HIS 609 Cb -0.10 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.88 2bn4 s HIS 609 CO -0.03 -0.23 0.00 -1.13 -0.85 0.00 0.00 174.74 172.49 2bn4 n SER 610 N 3.23 0.00 -3.02 1.40 3.41 -0.94 -3.30 113.62 114.40 2bn4 n SER 610 Ca -0.18 0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.48 2bn4 n SER 610 Cb 0.53 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2bn4 n SER 610 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2bn4 n ARG 611 N -1.58 1.86 -3.78 4.33 5.12 -0.94 -4.30 116.66 117.37 2bn4 n ARG 611 Ca 0.00 -1.28 -0.37 0.00 -1.93 0.00 0.00 57.85 54.27 2bn4 n ARG 611 Cb 0.00 -2.33 -0.13 0.00 -1.16 0.00 0.00 32.46 28.84 2bn4 n ARG 611 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2bn4 s LEU 612 N 0.08 3.81 -0.24 0.55 0.20 -1.23 -4.59 118.68 117.25 2bn4 s LEU 612 Ca 0.38 -0.73 -0.22 0.00 0.69 0.00 0.00 54.13 54.25 2bn4 s LEU 612 Cb 0.11 -1.86 -0.09 0.00 -0.43 0.00 0.00 46.19 43.91 2bn4 s LEU 612 CO -0.03 -0.19 0.94 -2.65 -0.29 0.00 0.00 176.35 174.13 2bn4 n PRO 613 N 4.85 0.00 -0.88 0.98 -0.02 -1.26 -0.62 135.00 138.05 2bn4 n PRO 613 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2bn4 n PRO 613 Cb 0.48 -0.72 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 2bn4 n PRO 613 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2bn4 n ASN 614 N 3.02 -0.64 -4.65 2.55 3.02 -1.26 -5.00 115.26 112.30 2bn4 n ASN 614 Ca 0.22 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 2bn4 n ASN 614 Cb -0.02 -0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 38.22 2bn4 n ASN 614 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bn4 s THR 615 N -2.90 4.20 0.30 3.41 2.01 0.20 -5.09 115.64 117.78 2bn4 s THR 615 Ca 0.00 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 2bn4 s THR 615 Cb 0.00 -2.77 -0.11 0.00 0.01 0.00 0.00 72.50 69.63 2bn4 s THR 615 CO 0.00 0.59 1.51 -0.75 -0.69 0.00 0.00 174.62 175.28 2bn4 s LYS 616 N -0.74 4.17 0.82 4.92 2.20 -1.26 -4.57 119.74 125.28 2bn4 s LYS 616 Ca 0.11 2.48 -0.15 0.00 -0.36 0.00 0.00 55.97 58.05 2bn4 s LYS 616 Cb -0.12 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 2bn4 s LYS 616 CO 0.02 -0.52 0.39 1.17 -0.36 0.00 0.00 175.35 176.06 2bn4 n LYS 617 N 1.71 0.07 -3.65 4.03 4.81 -1.26 -4.94 118.16 118.93 2bn4 n LYS 617 Ca 0.05 0.07 -0.05 0.00 -0.87 0.00 0.00 58.31 57.51 2bn4 n LYS 617 Cb 0.39 -1.77 -0.06 0.00 0.02 0.00 0.00 35.03 33.60 2bn4 n LYS 617 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2bn4 s VAL 618 N -2.09 -0.49 0.39 3.15 0.11 -1.21 -4.99 120.40 115.27 2bn4 s VAL 618 Ca 0.61 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.76 2bn4 s VAL 618 Cb -0.29 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 2bn4 s VAL 618 CO 0.63 0.01 0.42 -0.31 -3.33 0.00 0.00 175.10 172.52 2bn4 s TYR 619 N 2.26 2.83 0.37 1.54 4.12 -1.26 -3.60 117.35 123.60 2bn4 s TYR 619 Ca -0.07 -0.39 0.29 0.00 0.02 0.00 0.00 57.07 56.91 2bn4 s TYR 619 Cb -0.09 -2.12 1.46 0.00 -1.52 0.00 0.00 41.96 39.68 2bn4 s TYR 619 CO -0.18 -0.12 2.06 -0.39 0.02 0.00 0.00 175.55 176.94 2bn4 h VAL 620 N 0.96 0.46 0.00 0.71 -1.51 -1.90 -0.60 116.25 114.36 2bn4 h VAL 620 Ca -0.42 -0.56 -0.03 0.00 -1.23 0.00 0.00 66.70 64.46 2bn4 h VAL 620 Cb 1.27 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 2bn4 h VAL 620 CO 0.54 0.11 -0.14 0.06 -1.23 0.00 0.00 177.57 176.90 2bn4 h GLN 621 N 0.00 0.00 0.03 5.19 3.07 -1.95 -2.86 115.11 118.59 2bn4 h GLN 621 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 2bn4 h GLN 621 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.94 2bn4 h GLN 621 CO 0.01 0.14 -0.38 -0.44 0.09 0.00 0.00 178.83 178.26 2bn4 h ASP 622 N 0.00 0.28 -0.00 0.06 3.32 -1.50 -3.11 116.42 115.47 2bn4 h ASP 622 Ca -0.00 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.20 2bn4 h ASP 622 Cb 0.78 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2bn4 h ASP 622 CO 0.02 1.10 0.01 0.11 -1.72 0.00 0.00 179.24 178.76 2bn4 h LYS 623 N -0.50 0.00 -0.11 3.56 1.79 -1.42 -1.21 116.57 118.68 2bn4 h LYS 623 Ca -0.06 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2bn4 h LYS 623 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2bn4 h LYS 623 CO 0.07 0.00 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.11 2bn4 h LEU 624 N 0.00 0.42 -1.41 2.94 3.38 -1.44 0.17 115.31 119.37 2bn4 h LEU 624 Ca 0.00 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.33 2bn4 h LEU 624 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2bn4 h LEU 624 CO -0.00 0.92 -0.30 0.50 0.09 0.00 0.00 178.44 179.65 2bn4 h LYS 625 N -0.06 0.00 0.73 1.13 3.64 -1.26 0.92 116.57 121.66 2bn4 h LYS 625 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2bn4 h LYS 625 Cb 0.86 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2bn4 h LYS 625 CO 0.06 0.30 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.74 2bn4 h ASP 626 N 0.00 -0.83 0.00 4.20 5.19 -1.07 -3.03 116.42 120.88 2bn4 h ASP 626 Ca -0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2bn4 h ASP 626 Cb 0.54 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2bn4 h ASP 626 CO 0.04 -0.47 0.00 -1.22 -3.12 0.00 0.00 179.24 174.47 2bn4 n TYR 627 N -5.30 0.00 -0.36 4.55 4.02 0.59 -4.62 117.16 116.03 2bn4 n TYR 627 Ca -0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.69 2bn4 n TYR 627 Cb 0.39 -0.03 -0.06 0.00 -0.02 0.00 0.00 39.34 39.62 2bn4 n TYR 627 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2bn4 n GLU 628 N -0.35 -0.34 -0.24 -0.72 0.28 0.32 -1.07 120.64 118.52 2bn4 n GLU 628 Ca 0.00 1.32 0.01 0.00 -0.16 0.00 0.00 57.16 58.33 2bn4 n GLU 628 Cb 0.07 -1.95 0.13 0.00 1.43 0.00 0.00 31.44 31.13 2bn4 n GLU 628 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2bn4 h ASP 629 N 0.00 0.47 -0.43 -1.84 5.19 -1.86 1.36 116.42 119.30 2bn4 h ASP 629 Ca 0.18 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.59 2bn4 h ASP 629 Cb 0.40 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2bn4 h ASP 629 CO -0.83 0.27 0.06 -0.61 -3.12 0.00 0.00 179.24 175.02 2bn4 h GLN 630 N 0.61 0.72 0.70 3.56 4.15 -1.60 0.16 115.11 123.41 2bn4 h GLN 630 Ca 0.34 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 2bn4 h GLN 630 Cb 0.34 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.95 2bn4 h GLN 630 CO -0.26 0.76 -0.39 0.28 -1.93 0.00 0.00 178.83 177.29 2bn4 h VAL 631 N 0.58 0.21 -1.01 2.39 2.07 0.38 -0.92 116.25 119.95 2bn4 h VAL 631 Ca 0.13 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.91 2bn4 h VAL 631 Cb 0.39 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 2bn4 h VAL 631 CO 0.01 0.00 0.66 0.15 0.02 0.00 0.00 177.57 178.41 2bn4 h PHE 632 N -1.02 0.55 0.21 1.57 3.57 0.19 -0.35 116.94 121.67 2bn4 h PHE 632 Ca -0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 2bn4 h PHE 632 Cb 0.80 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2bn4 h PHE 632 CO -0.07 0.08 -0.10 1.49 -2.23 0.00 0.00 178.31 177.48 2bn4 h GLU 633 N 0.35 -0.27 -1.01 1.11 4.81 -0.54 -1.83 114.58 117.20 2bn4 h GLU 633 Ca 0.55 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 60.04 2bn4 h GLU 633 Cb 1.48 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 30.81 2bn4 h GLU 633 CO -0.23 0.11 0.61 0.52 -0.73 0.00 0.00 179.01 179.29 2bn4 h MET 634 N -0.82 0.57 -0.01 1.92 2.86 0.17 0.13 114.93 119.75 2bn4 h MET 634 Ca -0.03 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2bn4 h MET 634 Cb 0.51 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2bn4 h MET 634 CO 0.05 0.38 -0.00 0.82 1.06 0.00 0.00 176.91 179.21 2bn4 h ILE 635 N 0.58 1.28 0.00 -1.22 2.04 -1.11 -0.51 117.51 118.57 2bn4 h ILE 635 Ca 0.63 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2bn4 h ILE 635 Cb 1.21 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2bn4 h ILE 635 CO -0.43 0.22 0.04 0.78 0.00 0.00 0.00 178.15 178.76 2bn4 h ASN 636 N -0.33 0.00 -0.62 1.72 2.35 0.04 0.20 115.58 118.94 2bn4 h ASN 636 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2bn4 h ASN 636 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2bn4 h ASN 636 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 2bn4 n ASN 637 N -2.31 4.03 0.00 5.81 3.02 0.04 -4.92 115.26 120.92 2bn4 n ASN 637 Ca -0.02 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 2bn4 n ASN 637 Cb 0.08 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 2bn4 n ASN 637 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bn4 n GLY 638 N 1.26 0.69 3.20 7.41 0.00 0.72 -4.66 105.19 113.81 2bn4 n GLY 638 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2bn4 n GLY 638 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bn4 n ALA 639 N 0.18 -4.33 -2.53 4.61 0.00 -0.26 -4.54 120.51 113.64 2bn4 n ALA 639 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 53.44 52.15 2bn4 n ALA 639 Cb 0.00 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 17.95 2bn4 n ALA 639 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bn4 s PHE 640 N -2.18 2.78 -0.23 0.00 0.40 0.31 -4.87 117.98 114.18 2bn4 s PHE 640 Ca 0.49 -0.10 -0.05 0.00 -0.60 0.00 0.00 56.93 56.67 2bn4 s PHE 640 Cb -0.12 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2bn4 s PHE 640 CO 0.71 0.28 -0.01 0.42 0.70 0.00 0.00 175.22 177.31 2bn4 s ILE 641 N -0.84 3.68 -0.19 0.64 1.01 0.70 -0.12 121.20 126.08 2bn4 s ILE 641 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2bn4 s ILE 641 Cb -0.11 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.68 2bn4 s ILE 641 CO 0.03 0.40 -0.14 -0.31 0.00 0.00 0.00 174.94 174.92 2bn4 s TYR 642 N 1.50 2.84 -0.30 3.97 1.51 0.30 -0.22 117.35 126.96 2bn4 s TYR 642 Ca 0.06 -1.34 0.02 0.00 -1.01 0.00 0.00 57.07 54.80 2bn4 s TYR 642 Cb -0.14 -1.98 0.08 0.00 -0.11 0.00 0.00 41.96 39.80 2bn4 s TYR 642 CO -0.01 -0.69 -0.02 0.08 -1.11 0.00 0.00 175.55 173.81 2bn4 s VAL 643 N 1.30 2.40 0.17 0.71 1.01 -0.62 0.39 120.40 125.77 2bn4 s VAL 643 Ca 0.04 -1.88 0.10 0.00 0.00 0.00 0.00 61.98 60.25 2bn4 s VAL 643 Cb -0.14 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2bn4 s VAL 643 CO -0.08 -0.28 -0.23 0.00 0.00 0.00 0.00 175.10 174.51 2bn4 n GLY 645 N 0.45 0.83 3.46 0.00 0.00 -0.98 -3.70 105.19 105.26 2bn4 n GLY 645 Ca -0.14 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 2bn4 n GLY 645 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bn4 s ASP 646 N -4.00 6.24 -1.32 1.61 -1.08 -1.26 -0.70 116.67 116.17 2bn4 s ASP 646 Ca 0.00 -0.78 -0.08 0.00 -0.52 0.00 0.00 52.55 51.17 2bn4 s ASP 646 Cb 0.00 -2.28 0.14 0.00 -1.46 0.00 0.00 42.92 39.31 2bn4 s ASP 646 CO 0.00 -0.82 2.09 0.00 0.52 0.00 0.00 175.17 176.96 2bn4 n ALA 647 N 6.09 5.91 -0.30 3.66 0.00 0.09 -4.57 120.51 131.39 2bn4 n ALA 647 Ca -0.06 -4.20 0.07 0.00 0.00 0.00 0.00 53.44 49.25 2bn4 n ALA 647 Cb 0.46 -2.96 0.28 0.00 0.00 0.00 0.00 19.45 17.23 2bn4 n ALA 647 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bn4 h LYS 648 N 5.37 0.89 0.00 0.00 1.57 -1.94 -3.33 116.57 119.14 2bn4 h LYS 648 Ca 0.51 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2bn4 h LYS 648 Cb 0.52 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2bn4 h LYS 648 CO 1.60 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 181.48 2bn4 n GLY 649 N -1.40 0.96 0.15 3.86 0.00 -1.26 -4.92 105.19 102.58 2bn4 n GLY 649 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 2bn4 n GLY 649 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2bn4 h MET 650 N 0.00 0.00 0.12 1.61 -1.53 -1.81 -2.63 114.93 110.69 2bn4 h MET 650 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 2bn4 h MET 650 Cb 0.96 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.01 2bn4 h MET 650 CO 0.00 0.19 -0.06 0.00 0.14 0.00 0.00 176.91 177.18 2bn4 h ALA 651 N 1.76 -0.42 -0.69 0.39 0.00 -1.85 -2.41 119.26 116.03 2bn4 h ALA 651 Ca -0.03 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.99 2bn4 h ALA 651 Cb 1.22 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 2bn4 h ALA 651 CO 0.03 -0.41 0.14 0.87 0.00 0.00 0.00 179.25 179.88 2bn4 h LYS 652 N -0.34 0.24 0.52 0.00 1.57 -1.74 0.34 116.57 117.15 2bn4 h LYS 652 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2bn4 h LYS 652 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2bn4 h LYS 652 CO 0.03 0.16 -0.38 0.78 -0.57 0.00 0.00 179.45 179.47 2bn4 h GLY 653 N 0.25 -0.97 1.15 3.86 0.00 -1.57 0.67 103.07 106.46 2bn4 h GLY 653 Ca 0.38 0.43 0.05 0.00 0.00 0.00 0.00 47.33 48.19 2bn4 h GLY 653 CO -0.49 -0.34 0.45 -2.08 0.00 0.00 0.00 176.54 174.08 2bn4 h VAL 654 N -0.87 1.06 0.27 4.60 2.07 -0.95 0.48 116.25 122.90 2bn4 h VAL 654 Ca -0.06 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2bn4 h VAL 654 Cb 0.74 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2bn4 h VAL 654 CO 0.02 0.14 -0.13 -1.28 0.02 0.00 0.00 177.57 176.33 2bn4 h SER 655 N 0.76 -0.31 -0.76 0.57 0.87 -0.43 -0.43 113.55 113.82 2bn4 h SER 655 Ca 0.28 -0.19 0.13 0.00 -1.23 0.00 0.00 61.79 60.79 2bn4 h SER 655 Cb 0.17 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.12 2bn4 h SER 655 CO -0.09 0.05 0.34 0.74 -0.53 0.00 0.00 176.83 177.34 2bn4 h THR 656 N -0.69 0.72 0.02 2.23 2.02 0.95 -0.32 112.91 117.83 2bn4 h THR 656 Ca -0.04 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 66.99 2bn4 h THR 656 Cb 0.48 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2bn4 h THR 656 CO 0.06 0.09 -0.16 0.00 0.37 0.00 0.00 175.52 175.88 2bn4 h ALA 657 N 1.52 -0.21 0.00 6.16 0.00 0.23 0.12 119.26 127.08 2bn4 h ALA 657 Ca 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2bn4 h ALA 657 Cb 0.58 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2bn4 h ALA 657 CO -0.36 -0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 177.99 2bn4 h LEU 658 N -0.28 0.00 -0.47 0.00 3.38 -0.30 -0.32 115.31 117.32 2bn4 h LEU 658 Ca 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2bn4 h LEU 658 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2bn4 h LEU 658 CO -0.15 0.17 -0.68 0.58 0.09 0.00 0.00 178.44 178.45 2bn4 h VAL 659 N 0.00 1.38 0.06 1.22 2.07 -0.12 -1.54 116.25 119.32 2bn4 h VAL 659 Ca -0.00 -2.07 -0.00 0.00 0.82 0.00 0.00 66.70 65.44 2bn4 h VAL 659 Cb 0.38 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2bn4 h VAL 659 CO 0.02 0.62 -0.03 1.23 0.02 0.00 0.00 177.57 179.44 2bn4 h GLY 660 N 1.31 -0.08 0.52 2.17 0.00 0.35 0.13 103.07 107.47 2bn4 h GLY 660 Ca -0.02 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.45 2bn4 h GLY 660 CO 0.12 -0.03 0.63 -2.22 0.00 0.00 0.00 176.54 175.04 2bn4 h ILE 661 N -0.30 0.95 0.02 2.60 2.04 -1.02 -0.92 117.51 120.88 2bn4 h ILE 661 Ca -0.01 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2bn4 h ILE 661 Cb 0.26 -0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 2bn4 h ILE 661 CO 0.01 0.19 -0.31 0.25 0.00 0.00 0.00 178.15 178.29 2bn4 h LEU 662 N 1.03 0.24 -0.34 1.44 5.85 -1.11 -1.67 115.31 120.75 2bn4 h LEU 662 Ca 0.49 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2bn4 h LEU 662 Cb 0.43 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2bn4 h LEU 662 CO -0.25 1.05 0.00 -1.28 -0.34 0.00 0.00 178.44 177.62 2bn4 h SER 663 N -0.55 -0.13 0.83 1.25 0.87 -0.56 0.25 113.55 115.52 2bn4 h SER 663 Ca -0.04 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2bn4 h SER 663 Cb 1.11 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2bn4 h SER 663 CO 0.06 -0.03 -0.40 0.03 -0.53 0.00 0.00 176.83 175.96 2bn4 h ARG 664 N 0.10 -1.08 -0.51 2.24 3.08 -1.27 0.27 114.38 117.20 2bn4 h ARG 664 Ca 0.16 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.37 2bn4 h ARG 664 Cb 0.22 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 2bn4 h ARG 664 CO -0.27 -0.71 0.12 0.78 -1.07 0.00 0.00 179.97 178.82 2bn4 h GLY 665 N -1.14 0.65 1.04 0.04 0.00 -0.92 -1.29 103.07 101.45 2bn4 h GLY 665 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2bn4 h GLY 665 CO 0.19 -0.06 -0.25 0.28 0.00 0.00 0.00 176.54 176.70 2bn4 n LYS 666 N -5.09 0.35 -3.32 4.80 5.02 0.85 -4.95 118.16 115.82 2bn4 n LYS 666 Ca 0.06 -0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 56.02 2bn4 n LYS 666 Cb 0.25 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.83 2bn4 n LYS 666 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2bn4 n SER 667 N -1.20 -6.34 -4.17 4.39 7.64 0.70 -5.02 113.62 109.63 2bn4 n SER 667 Ca 0.10 -0.75 -0.19 0.00 1.01 0.00 0.00 58.87 59.03 2bn4 n SER 667 Cb 0.32 -4.95 -0.10 0.00 -1.01 0.00 0.00 64.21 58.48 2bn4 n SER 667 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2bn4 s ILE 668 N -3.40 0.54 0.87 0.44 -4.36 0.14 -5.03 121.20 110.40 2bn4 s ILE 668 Ca 0.45 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.74 2bn4 s ILE 668 Cb -0.07 -2.57 0.11 0.00 1.25 0.00 0.00 42.46 41.18 2bn4 s ILE 668 CO 0.76 0.00 1.12 0.42 0.24 0.00 0.00 174.94 177.47 2bn4 s THR 669 N -3.56 2.62 0.31 8.37 -4.23 -1.26 -4.61 115.64 113.28 2bn4 s THR 669 Ca 0.35 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 61.15 2bn4 s THR 669 Cb 0.06 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.50 2bn4 s THR 669 CO 0.16 -0.26 1.73 0.74 -0.54 0.00 0.00 174.62 176.44 2bn4 h THR 670 N -1.58 1.31 -0.11 3.99 2.02 -1.94 -1.96 112.91 114.63 2bn4 h THR 670 Ca -0.44 -1.50 -0.11 0.00 0.77 0.00 0.00 66.41 65.13 2bn4 h THR 670 Cb 1.26 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2bn4 h THR 670 CO 0.47 0.44 -0.34 0.44 0.37 0.00 0.00 175.52 176.90 2bn4 h ASP 671 N 0.13 0.50 0.00 4.18 3.32 -1.99 -2.02 116.42 120.54 2bn4 h ASP 671 Ca 0.01 -0.60 0.03 0.00 0.02 0.00 0.00 57.03 56.49 2bn4 h ASP 671 Cb 0.79 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 2bn4 h ASP 671 CO 0.06 1.01 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.92 2bn4 h GLU 672 N 0.01 -0.48 -0.26 3.56 5.08 -1.89 -1.30 114.58 119.30 2bn4 h GLU 672 Ca -0.01 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2bn4 h GLU 672 Cb 0.96 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 2bn4 h GLU 672 CO 0.07 -0.32 -0.10 0.00 -1.00 0.00 0.00 179.01 177.67 2bn4 h ALA 673 N 0.18 0.13 -0.78 3.43 0.00 -1.40 -1.12 119.26 119.71 2bn4 h ALA 673 Ca 0.06 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2bn4 h ALA 673 Cb 0.59 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 2bn4 h ALA 673 CO -0.28 -0.50 -0.23 1.15 0.00 0.00 0.00 179.25 179.39 2bn4 h THR 674 N -0.05 0.19 -0.21 0.00 2.02 -0.76 0.36 112.91 114.46 2bn4 h THR 674 Ca 0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2bn4 h THR 674 Cb 0.25 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 2bn4 h THR 674 CO -0.29 0.00 -0.10 -0.33 0.37 0.00 0.00 175.52 175.16 2bn4 h GLU 675 N -0.02 -0.07 -0.95 6.66 4.39 -0.10 -0.57 114.58 123.90 2bn4 h GLU 675 Ca 0.36 0.01 0.20 0.00 0.34 0.00 0.00 59.36 60.26 2bn4 h GLU 675 Cb 0.58 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.13 2bn4 h GLU 675 CO -0.81 -0.05 0.53 1.25 -1.16 0.00 0.00 179.01 178.77 2bn4 h LEU 676 N -0.08 0.62 -0.30 1.33 5.85 0.60 0.16 115.31 123.49 2bn4 h LEU 676 Ca 0.11 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 2bn4 h LEU 676 Cb 0.25 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2bn4 h LEU 676 CO -0.26 0.17 -0.16 0.40 -0.34 0.00 0.00 178.44 178.25 2bn4 h ILE 677 N 0.62 1.29 -0.72 4.05 1.08 0.38 -2.77 117.51 121.45 2bn4 h ILE 677 Ca 0.57 -1.27 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2bn4 h ILE 677 Cb 0.95 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 36.14 2bn4 h ILE 677 CO -0.43 0.41 0.48 0.11 -0.69 0.00 0.00 178.15 178.02 2bn4 h LYS 678 N 0.39 0.91 -0.27 2.37 1.57 0.32 -0.29 116.57 121.58 2bn4 h LYS 678 Ca 0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2bn4 h LYS 678 Cb 0.69 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2bn4 h LYS 678 CO 0.05 0.61 -0.06 0.52 -0.57 0.00 0.00 179.45 179.99 2bn4 h MET 679 N 0.94 0.42 -0.18 3.15 2.86 -0.60 -0.80 114.93 120.73 2bn4 h MET 679 Ca 0.27 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 2bn4 h MET 679 Cb -0.06 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2bn4 h MET 679 CO -0.06 0.50 -0.43 -0.07 1.06 0.00 0.00 176.91 177.90 2bn4 h LEU 680 N 0.40 0.69 -1.81 1.22 3.38 -0.85 0.22 115.31 118.57 2bn4 h LEU 680 Ca 0.08 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2bn4 h LEU 680 Cb 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2bn4 h LEU 680 CO 0.02 1.13 0.06 0.11 0.09 0.00 0.00 178.44 179.85 2bn4 h LYS 681 N 0.27 0.18 0.10 1.13 1.57 -0.68 0.24 116.57 119.39 2bn4 h LYS 681 Ca -0.00 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.50 2bn4 h LYS 681 Cb 1.04 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.32 2bn4 h LYS 681 CO 0.09 0.15 -1.18 1.15 -0.57 0.00 0.00 179.45 179.10 2bn4 h THR 682 N 0.18 1.45 -0.12 -0.16 2.02 -0.93 -3.29 112.91 112.04 2bn4 h THR 682 Ca 0.05 -2.83 -0.10 0.00 0.77 0.00 0.00 66.41 64.29 2bn4 h THR 682 Cb 0.03 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2bn4 h THR 682 CO -0.01 0.83 -0.31 0.77 0.37 0.00 0.00 175.52 177.18 2bn4 h SER 683 N 0.13 0.49 0.00 4.18 4.64 -0.15 -3.48 113.55 119.36 2bn4 h SER 683 Ca -0.13 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 2bn4 h SER 683 Cb 1.87 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2bn4 h SER 683 CO 0.20 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.75 2bn4 n GLY 684 N 0.50 0.92 0.22 -0.77 0.00 0.77 -5.00 105.19 101.82 2bn4 n GLY 684 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2bn4 n GLY 684 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bn4 n ARG 685 N 0.00 0.81 -3.68 1.61 1.74 -0.68 -4.44 116.66 112.02 2bn4 n ARG 685 Ca 0.00 -0.43 -0.30 0.00 -0.77 0.00 0.00 57.85 56.35 2bn4 n ARG 685 Cb 0.00 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 2bn4 n ARG 685 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2bn4 s TYR 686 N -2.49 1.67 0.02 -1.55 6.04 -1.17 -0.21 117.35 119.67 2bn4 s TYR 686 Ca 0.26 -2.06 -0.06 0.00 0.04 0.00 0.00 57.07 55.24 2bn4 s TYR 686 Cb 0.19 -1.67 -0.05 0.00 -1.04 0.00 0.00 41.96 39.40 2bn4 s TYR 686 CO 0.50 -0.82 0.28 -0.65 -1.54 0.00 0.00 175.55 173.33 2bn4 s GLN 687 N 0.89 3.59 -0.09 4.97 -0.21 0.70 -4.30 119.66 125.21 2bn4 s GLN 687 Ca 0.15 -0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.48 2bn4 s GLN 687 Cb -0.22 -3.06 0.01 0.00 1.00 0.00 0.00 33.01 30.75 2bn4 s GLN 687 CO -0.08 0.63 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.36 2bn4 s GLU 688 N -1.86 2.10 -0.52 2.91 2.02 -1.26 -1.58 118.70 120.50 2bn4 s GLU 688 Ca 0.29 -0.53 0.07 0.00 0.02 0.00 0.00 54.97 54.82 2bn4 s GLU 688 Cb -0.13 -1.74 0.32 0.00 0.10 0.00 0.00 34.13 32.68 2bn4 s GLU 688 CO 0.17 0.00 0.82 -3.47 0.02 0.00 0.00 175.26 172.81 2bn4 n ASP 689 N 3.97 3.10 -4.73 -0.19 -0.08 -0.04 -4.98 116.55 113.60 2bn4 n ASP 689 Ca -0.20 -3.39 -0.32 0.00 -1.51 0.00 0.00 54.79 49.37 2bn4 n ASP 689 Cb 0.52 -0.60 -0.08 0.00 2.34 0.00 0.00 41.12 43.30 2bn4 n ASP 689 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2bn4 s VAL 690 N -3.33 4.39 0.00 5.18 1.01 -1.26 -2.32 120.40 124.06 2bn4 s VAL 690 Ca 0.44 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2bn4 s VAL 690 Cb 0.26 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2bn4 s VAL 690 CO -0.10 0.26 0.05 -2.67 0.00 0.00 0.00 175.10 172.64