#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by1 n LYS 2 N 0.00 0.00 0.00 3.17 4.76 -1.26 -3.14 118.16 121.69 1by1 n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1by1 n LYS 2 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1by1 n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1by1 n GLY 3 N 0.00 0.00 3.72 0.72 0.00 -1.26 -5.14 105.19 103.23 1by1 n GLY 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1by1 n GLY 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1by1 s PHE 4 N 0.00 3.44 0.55 1.61 -0.71 -1.19 -4.80 117.98 116.88 1by1 s PHE 4 Ca 0.00 1.33 0.00 0.00 -1.04 0.00 0.00 56.93 57.22 1by1 s PHE 4 Cb 0.00 -3.42 0.00 0.00 -1.21 0.00 0.00 43.02 38.39 1by1 s PHE 4 CO 0.00 -1.27 0.00 -3.47 -1.34 0.00 0.00 175.22 169.14 1by1 n ASP 5 N 3.59 -8.36 -1.54 1.98 -0.08 -1.26 -4.55 116.55 106.32 1by1 n ASP 5 Ca 0.08 1.22 0.08 0.00 -1.51 0.00 0.00 54.79 54.67 1by1 n ASP 5 Cb 0.46 -4.86 0.35 0.00 2.34 0.00 0.00 41.12 39.41 1by1 n ASP 5 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1by1 n THR 6 N -4.34 2.13 -2.12 5.18 -1.04 -1.26 -4.90 114.28 107.93 1by1 n THR 6 Ca -0.06 -1.34 -0.32 0.00 -2.04 0.00 0.00 64.05 60.29 1by1 n THR 6 Cb 0.69 -0.02 -0.04 0.00 -1.82 0.00 0.00 70.33 69.14 1by1 n THR 6 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1by1 s THR 7 N -2.20 3.48 0.32 12.58 -1.32 -1.26 -4.96 115.64 122.28 1by1 s THR 7 Ca 0.50 -0.22 0.03 0.00 -1.21 0.00 0.00 61.69 60.78 1by1 s THR 7 Cb 0.35 -4.13 -0.02 0.00 -1.51 0.00 0.00 72.50 67.18 1by1 s THR 7 CO 0.20 -1.08 0.49 0.00 -2.21 0.00 0.00 174.62 172.01 1by1 s ALA 8 N 9.11 3.86 -0.97 11.08 0.00 -1.26 -4.40 121.76 139.18 1by1 s ALA 8 Ca 0.65 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.39 1by1 s ALA 8 Cb -0.08 -1.92 0.10 0.00 0.00 0.00 0.00 23.12 21.22 1by1 s ALA 8 CO 0.05 0.03 0.31 0.44 0.00 0.00 0.00 175.76 176.59 1by1 n ILE 9 N -1.67 -0.26 -2.75 0.00 -5.35 -1.26 -4.81 119.36 103.26 1by1 n ILE 9 Ca -0.05 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.39 1by1 n ILE 9 Cb 0.57 -0.68 0.02 0.00 -1.74 0.00 0.00 39.64 37.81 1by1 n ILE 9 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1by1 n ASN 10 N -2.02 -3.23 -4.45 7.28 2.85 -1.26 -5.10 115.26 109.33 1by1 n ASN 10 Ca 0.03 -2.82 -0.43 0.00 -0.11 0.00 0.00 54.58 51.24 1by1 n ASN 10 Cb 0.50 1.69 -0.03 0.00 1.24 0.00 0.00 39.78 43.17 1by1 n ASN 10 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1by1 s LYS 11 N 0.85 3.28 0.91 1.20 -0.14 -1.26 -4.96 119.74 119.62 1by1 s LYS 11 Ca 0.30 -1.16 -0.10 0.00 -1.36 0.00 0.00 55.97 53.65 1by1 s LYS 11 Cb 0.04 -4.50 0.15 0.00 -1.68 0.00 0.00 37.83 31.84 1by1 s LYS 11 CO -0.08 -1.81 1.15 0.45 -0.76 0.00 0.00 175.35 174.30 1by1 s SER 12 N 3.72 2.91 0.55 2.83 0.15 -1.26 -4.71 113.70 117.89 1by1 s SER 12 Ca 0.26 2.20 0.35 0.00 0.70 0.00 0.00 55.95 59.47 1by1 s SER 12 Cb -0.13 -2.57 1.51 0.00 -1.71 0.00 0.00 66.02 63.13 1by1 s SER 12 CO 0.03 -3.12 1.80 0.22 1.20 0.00 0.00 173.24 173.37 1by1 h TYR 13 N -1.86 0.00 0.21 3.44 3.20 -1.98 -1.33 116.97 118.65 1by1 h TYR 13 Ca -0.43 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1by1 h TYR 13 Cb 1.27 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 1by1 h TYR 13 CO 0.50 0.00 -0.44 -0.92 -1.64 0.00 0.00 178.16 175.66 1by1 h TYR 14 N 0.00 -1.25 0.00 -3.82 3.20 -1.93 0.46 116.97 113.63 1by1 h TYR 14 Ca 0.51 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.41 1by1 h TYR 14 Cb 2.14 0.52 -0.00 0.00 1.54 0.00 0.00 36.73 40.93 1by1 h TYR 14 CO 0.00 -0.52 -0.02 -0.97 -1.64 0.00 0.00 178.16 175.01 1by1 h ASN 15 N -0.70 0.00 0.18 -2.11 -1.24 -1.58 -2.43 115.58 107.70 1by1 h ASN 15 Ca -0.02 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.80 1by1 h ASN 15 Cb 0.67 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 1by1 h ASN 15 CO -0.18 0.02 -0.71 0.58 -1.29 0.00 0.00 177.43 175.85 1by1 h VAL 16 N 0.00 1.36 -0.27 2.57 2.07 -0.79 0.02 116.25 121.21 1by1 h VAL 16 Ca -0.00 -2.07 -0.14 0.00 0.82 0.00 0.00 66.70 65.31 1by1 h VAL 16 Cb 0.28 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1by1 h VAL 16 CO 0.00 0.63 -0.41 0.58 0.02 0.00 0.00 177.57 178.39 1by1 h VAL 17 N 0.32 1.29 0.00 2.57 2.07 -0.46 -2.39 116.25 119.66 1by1 h VAL 17 Ca -0.03 -1.58 -0.18 0.00 0.82 0.00 0.00 66.70 65.73 1by1 h VAL 17 Cb 1.28 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 1by1 h VAL 17 CO 0.13 0.51 -0.85 -0.07 0.02 0.00 0.00 177.57 177.30 1by1 h LEU 18 N 0.54 0.09 -0.22 2.57 3.38 -1.50 -2.82 115.31 117.36 1by1 h LEU 18 Ca 0.04 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1by1 h LEU 18 Cb 0.93 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1by1 h LEU 18 CO 0.08 0.90 -0.01 1.56 0.09 0.00 0.00 178.44 181.06 1by1 h GLN 19 N 0.04 0.06 0.23 1.13 1.08 -0.74 0.43 115.11 117.33 1by1 h GLN 19 Ca -0.02 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1by1 h GLN 19 Cb 1.49 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 1by1 h GLN 19 CO 0.12 0.04 -0.11 -0.97 -0.95 0.00 0.00 178.83 176.95 1by1 h ASN 20 N 0.06 -0.27 -0.60 1.46 -1.24 -1.45 -2.61 115.58 110.92 1by1 h ASN 20 Ca 0.10 -0.03 0.08 0.00 0.71 0.00 0.00 56.30 57.16 1by1 h ASN 20 Cb 0.13 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 1by1 h ASN 20 CO -0.18 -0.15 0.40 0.40 -1.29 0.00 0.00 177.43 176.61 1by1 h ILE 21 N -0.37 0.95 0.47 2.57 1.08 -1.21 -1.66 117.51 119.35 1by1 h ILE 21 Ca -0.03 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 1by1 h ILE 21 Cb 0.28 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 1by1 h ILE 21 CO 0.05 0.09 -0.23 -0.07 -0.69 0.00 0.00 178.15 177.31 1by1 h LEU 22 N 0.51 -0.53 -0.39 1.44 4.07 0.21 0.78 115.31 121.40 1by1 h LEU 22 Ca 0.27 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.28 1by1 h LEU 22 Cb 0.40 0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 1by1 h LEU 22 CO -0.08 -0.36 0.13 -0.33 -1.08 0.00 0.00 178.44 176.72 1by1 h GLU 23 N -0.66 0.28 0.54 1.13 4.39 -1.13 0.58 114.58 119.71 1by1 h GLU 23 Ca -0.06 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1by1 h GLU 23 Cb 0.50 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1by1 h GLU 23 CO 0.11 0.18 -0.26 1.15 -1.16 0.00 0.00 179.01 179.03 1by1 h THR 24 N 0.29 0.43 0.00 1.13 2.02 -1.17 -2.79 112.91 112.82 1by1 h THR 24 Ca 0.18 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1by1 h THR 24 Cb 0.17 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1by1 h THR 24 CO -0.19 0.03 -0.01 -0.33 0.37 0.00 0.00 175.52 175.39 1by1 h GLU 25 N -0.85 0.00 -0.48 6.66 4.39 0.79 -2.03 114.58 123.07 1by1 h GLU 25 Ca -0.07 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.67 1by1 h GLU 25 Cb 0.61 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.21 1by1 h GLU 25 CO 0.12 0.01 0.21 -0.97 -1.16 0.00 0.00 179.01 177.23 1by1 h ASN 26 N 0.00 0.28 0.45 1.42 -1.24 0.45 1.15 115.58 118.09 1by1 h ASN 26 Ca -0.00 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1by1 h ASN 26 Cb 0.01 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1by1 h ASN 26 CO 0.00 0.20 -0.11 -0.33 -1.29 0.00 0.00 177.43 175.90 1by1 h GLU 27 N 0.43 0.00 0.15 6.67 4.39 -1.23 1.39 114.58 126.38 1by1 h GLU 27 Ca 0.22 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.60 1by1 h GLU 27 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1by1 h GLU 27 CO -0.18 0.11 -1.59 -0.92 -1.16 0.00 0.00 179.01 175.28 1by1 h TYR 28 N 0.00 0.59 0.11 4.33 3.20 -0.85 -2.95 116.97 121.41 1by1 h TYR 28 Ca -0.00 -0.43 -0.25 0.00 3.14 0.00 0.00 58.73 61.19 1by1 h TYR 28 Cb 0.36 -0.02 0.03 0.00 1.54 0.00 0.00 36.73 38.63 1by1 h TYR 28 CO 0.00 1.62 -1.03 0.66 -1.64 0.00 0.00 178.16 177.76 1by1 h SER 29 N -0.09 0.72 0.52 -2.11 4.64 0.16 -3.16 113.55 114.23 1by1 h SER 29 Ca -0.32 -0.85 -0.06 0.00 -0.47 0.00 0.00 61.79 60.09 1by1 h SER 29 Cb 1.94 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.79 1by1 h SER 29 CO 0.12 1.49 -0.28 0.07 -0.87 0.00 0.00 176.83 177.37 1by1 h LYS 30 N 0.04 0.00 0.51 4.77 5.09 0.17 -1.42 116.57 125.73 1by1 h LYS 30 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.55 1by1 h LYS 30 Cb 1.75 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.09 1by1 h LYS 30 CO 0.20 0.28 -0.24 0.93 -2.09 0.00 0.00 179.45 178.53 1by1 h GLU 31 N 0.00 -0.66 -0.09 0.07 5.08 -1.56 -2.69 114.58 114.73 1by1 h GLU 31 Ca -0.00 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1by1 h GLU 31 Cb 0.62 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1by1 h GLU 31 CO 0.04 -0.36 0.05 -0.07 -1.00 0.00 0.00 179.01 177.67 1by1 h LEU 32 N -1.06 0.12 -1.47 1.33 4.07 -1.53 -2.40 115.31 114.36 1by1 h LEU 32 Ca -0.07 -0.07 0.23 0.00 0.08 0.00 0.00 57.88 58.05 1by1 h LEU 32 Cb 0.60 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.23 1by1 h LEU 32 CO 0.11 0.15 0.63 -0.61 -1.08 0.00 0.00 178.44 177.65 1by1 h GLN 33 N 0.07 0.39 0.16 1.13 -0.00 -1.35 0.66 115.11 116.15 1by1 h GLN 33 Ca 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1by1 h GLN 33 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 27.46 1by1 h GLN 33 CO -0.01 0.26 -0.07 1.15 0.00 0.00 0.00 178.83 180.16 1by1 h THR 34 N 0.40 0.00 -0.36 2.39 2.02 -1.10 -3.22 112.91 113.04 1by1 h THR 34 Ca 0.52 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.53 1by1 h THR 34 Cb 1.31 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1by1 h THR 34 CO -0.21 0.00 0.16 0.58 0.37 0.00 0.00 175.52 176.42 1by1 h VAL 35 N -0.41 0.95 0.00 3.16 2.07 -1.20 -1.80 116.25 119.02 1by1 h VAL 35 Ca -0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1by1 h VAL 35 Cb 0.16 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1by1 h VAL 35 CO 0.03 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.87 1by1 n LEU 36 N -4.96 0.00 0.10 2.57 4.77 0.23 -0.52 117.00 119.19 1by1 n LEU 36 Ca 0.01 0.86 0.10 0.00 -0.03 0.00 0.00 56.01 56.94 1by1 n LEU 36 Cb 0.10 -0.36 0.43 0.00 -2.33 0.00 0.00 43.42 41.26 1by1 n LEU 36 CO 0.29 -0.36 0.79 -1.20 -1.33 0.00 0.00 177.39 175.59 1by1 n SER 37 N -2.39 0.45 -0.03 -1.43 7.64 -1.21 0.16 113.62 116.80 1by1 n SER 37 Ca 0.00 0.64 -0.00 0.00 1.01 0.00 0.00 58.87 60.51 1by1 n SER 37 Cb 0.00 -0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 62.48 1by1 n SER 37 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1by1 h THR 38 N 0.00 0.00 0.00 0.44 2.02 0.12 -3.45 112.91 112.04 1by1 h THR 38 Ca 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1by1 h THR 38 Cb 0.23 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1by1 h THR 38 CO 0.00 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.81 1by1 n TYR 39 N -4.23 0.00 0.06 3.16 0.18 0.30 -4.84 117.16 111.79 1by1 n TYR 39 Ca -0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1by1 n TYR 39 Cb 0.01 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.84 1by1 n TYR 39 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 1by1 h LEU 40 N 0.00 0.16 -0.77 -3.48 5.85 -0.85 -3.36 115.31 112.86 1by1 h LEU 40 Ca 0.00 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.65 1by1 h LEU 40 Cb 0.00 -0.05 -0.14 0.00 0.37 0.00 0.00 40.66 40.84 1by1 h LEU 40 CO 0.00 1.16 -0.32 -0.09 -0.34 0.00 0.00 178.44 178.85 1by1 h ARG 41 N 0.03 -0.07 -0.02 1.25 1.12 0.13 1.23 114.38 118.04 1by1 h ARG 41 Ca -0.12 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 58.78 1by1 h ARG 41 Cb 1.89 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.83 1by1 h ARG 41 CO 0.14 -0.05 -0.17 -1.35 -3.11 0.00 0.00 179.97 175.43 1by1 h PRO 42 N -0.08 -0.26 0.00 0.20 0.11 -1.84 -2.02 132.00 128.11 1by1 h PRO 42 Ca 0.30 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1by1 h PRO 42 Cb 0.58 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1by1 h PRO 42 CO -0.81 -0.17 -0.07 1.25 -0.21 0.00 0.00 178.00 177.98 1by1 h LEU 43 N -0.27 0.00 -1.35 2.35 5.85 -1.47 -3.26 115.31 117.16 1by1 h LEU 43 Ca 0.06 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.93 1by1 h LEU 43 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1by1 h LEU 43 CO -0.18 0.07 0.80 -0.61 -0.34 0.00 0.00 178.44 178.18 1by1 h GLN 44 N 0.00 0.00 0.00 1.25 4.15 0.23 0.77 115.11 121.51 1by1 h GLN 44 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1by1 h GLN 44 Cb 0.73 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1by1 h GLN 44 CO 0.01 0.00 0.00 2.41 -1.93 0.00 0.00 178.83 179.32 1by1 n THR 45 N -3.24 0.00 -1.53 2.39 -1.04 -1.23 -4.83 114.28 104.81 1by1 n THR 45 Ca 0.11 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.07 1by1 n THR 45 Cb 0.98 -0.48 -0.01 0.00 -1.82 0.00 0.00 70.33 68.99 1by1 n THR 45 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1by1 n SER 46 N -0.87 -3.08 0.00 8.00 2.88 0.27 -4.92 113.62 115.89 1by1 n SER 46 Ca 0.14 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1by1 n SER 46 Cb 0.06 -1.60 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 1by1 n SER 46 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1by1 n GLU 47 N -2.32 0.00 0.10 -1.46 -0.58 -1.19 -0.19 120.64 115.00 1by1 n GLU 47 Ca -0.06 0.63 0.12 0.00 -0.42 0.00 0.00 57.16 57.44 1by1 n GLU 47 Cb 0.32 -1.22 0.14 0.00 -0.57 0.00 0.00 31.44 30.11 1by1 n GLU 47 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1by1 h LYS 48 N 0.00 0.00 -1.59 3.49 6.56 -1.93 -3.35 116.57 119.75 1by1 h LYS 48 Ca 0.00 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.93 1by1 h LYS 48 Cb 0.00 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 31.30 1by1 h LYS 48 CO 0.00 0.00 0.05 1.28 -2.06 0.00 0.00 179.45 178.72 1by1 n LEU 49 N -2.42 6.00 0.00 2.94 4.77 -1.13 -4.87 117.00 122.29 1by1 n LEU 49 Ca 0.03 -4.97 -0.13 0.00 -0.03 0.00 0.00 56.01 50.91 1by1 n LEU 49 Cb 0.48 -0.71 0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1by1 n LEU 49 CO 0.37 1.99 0.14 -1.54 -1.33 0.00 0.00 177.39 177.02 1by1 n SER 50 N -0.56 -2.77 -0.21 -1.43 3.41 0.73 -3.63 113.62 109.17 1by1 n SER 50 Ca 0.47 -0.36 0.30 0.00 -0.26 0.00 0.00 58.87 59.02 1by1 n SER 50 Cb 0.53 -0.64 0.63 0.00 -0.26 0.00 0.00 64.21 64.47 1by1 n SER 50 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1by1 h SER 51 N -2.61 0.00 -0.25 4.04 0.02 -1.96 0.51 113.55 113.30 1by1 h SER 51 Ca -0.16 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 1by1 h SER 51 Cb 0.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1by1 h SER 51 CO 0.10 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.69 1by1 h ALA 52 N 1.01 0.35 0.00 3.77 0.00 -1.97 -3.02 119.26 119.40 1by1 h ALA 52 Ca 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1by1 h ALA 52 Cb 2.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1by1 h ALA 52 CO -0.01 0.19 -0.12 -0.91 0.00 0.00 0.00 179.25 178.40 1by1 h ASN 53 N 0.24 0.00 -0.63 0.00 4.21 -0.23 -3.36 115.58 115.82 1by1 h ASN 53 Ca 0.06 -0.02 0.08 0.00 1.21 0.00 0.00 56.30 57.64 1by1 h ASN 53 Cb 0.58 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.68 1by1 h ASN 53 CO 0.03 0.01 -0.49 0.40 -1.29 0.00 0.00 177.43 176.09 1by1 h ILE 54 N 0.00 0.04 -0.38 2.81 1.08 -0.97 0.48 117.51 120.58 1by1 h ILE 54 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 1by1 h ILE 54 Cb 0.88 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 1by1 h ILE 54 CO 0.00 0.00 0.73 0.77 -0.69 0.00 0.00 178.15 178.96 1by1 h SER 55 N -0.23 0.00 0.00 1.72 4.64 -1.71 1.23 113.55 119.21 1by1 h SER 55 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1by1 h SER 55 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1by1 h SER 55 CO -0.72 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.02 1by1 n TYR 56 N -3.13 0.00 -0.01 4.77 4.01 0.17 -4.82 117.16 118.16 1by1 n TYR 56 Ca 0.07 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1by1 n TYR 56 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.89 1by1 n TYR 56 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1by1 n LEU 57 N -0.01 0.18 -0.22 7.72 0.00 -1.14 -4.58 117.00 118.95 1by1 n LEU 57 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 56.01 56.29 1by1 n LEU 57 Cb 0.00 -0.54 0.07 0.00 0.00 0.00 0.00 43.42 42.95 1by1 n LEU 57 CO 0.00 -0.50 0.73 0.24 0.00 0.00 0.00 177.39 177.86 1by1 h MET 58 N -0.10 -0.01 -1.01 1.96 2.86 -1.74 -1.76 114.93 115.14 1by1 h MET 58 Ca 0.00 0.00 0.35 0.00 -2.06 0.00 0.00 59.70 57.99 1by1 h MET 58 Cb 0.05 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.60 1by1 h MET 58 CO 0.00 -0.00 0.64 0.41 1.06 0.00 0.00 176.91 179.01 1by1 n GLY 59 N -1.45 -0.62 0.00 8.32 0.00 0.42 0.17 105.19 112.03 1by1 n GLY 59 Ca 0.08 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1by1 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1by1 n ASN 60 N -4.23 0.00 -0.22 1.61 0.23 -0.67 -3.94 115.26 108.03 1by1 n ASN 60 Ca 0.30 0.06 0.03 0.00 -0.53 0.00 0.00 54.58 54.44 1by1 n ASN 60 Cb 1.16 -0.14 0.13 0.00 -2.08 0.00 0.00 39.78 38.85 1by1 n ASN 60 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1by1 h LEU 61 N 0.00 -0.16 -1.64 -4.53 5.85 -1.42 0.58 115.31 113.99 1by1 h LEU 61 Ca 0.00 0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1by1 h LEU 61 Cb 0.00 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1by1 h LEU 61 CO 0.00 -0.08 0.39 1.05 -0.34 0.00 0.00 178.44 179.46 1by1 h GLU 62 N 0.18 0.39 0.06 1.25 -0.00 0.14 -1.52 114.58 115.09 1by1 h GLU 62 Ca 0.36 -0.02 -0.28 0.00 -0.00 0.00 0.00 59.36 59.41 1by1 h GLU 62 Cb 0.59 -0.09 -0.03 0.00 -0.00 0.00 0.00 28.75 29.23 1by1 h GLU 62 CO -0.52 0.26 -1.50 0.93 -0.00 0.00 0.00 179.01 178.18 1by1 h GLU 63 N 0.41 0.12 -0.10 1.06 4.39 -0.51 -3.29 114.58 116.65 1by1 h GLU 63 Ca 0.27 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1by1 h GLU 63 Cb 0.52 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1by1 h GLU 63 CO -0.07 0.90 0.30 0.82 -1.16 0.00 0.00 179.01 179.80 1by1 h ILE 64 N 0.03 0.13 -0.36 3.13 2.04 0.10 -2.48 117.51 120.10 1by1 h ILE 64 Ca -0.22 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.70 1by1 h ILE 64 Cb 1.96 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 38.68 1by1 h ILE 64 CO 0.12 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.79 1by1 h SER 66 N -0.39 0.96 0.54 0.00 0.87 -1.71 -3.12 113.55 110.70 1by1 h SER 66 Ca 0.10 -0.45 -0.03 0.00 -1.23 0.00 0.00 61.79 60.19 1by1 h SER 66 Cb 0.60 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1by1 h SER 66 CO -0.56 1.21 -0.26 0.15 -0.53 0.00 0.00 176.83 176.85 1by1 h PHE 67 N 0.73 -0.67 -1.02 2.24 3.04 -1.28 -2.13 116.94 117.84 1by1 h PHE 67 Ca 0.07 -0.02 0.30 0.00 3.98 0.00 0.00 57.97 62.30 1by1 h PHE 67 Cb 0.92 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.61 1by1 h PHE 67 CO 0.06 -0.42 0.97 -0.56 -2.02 0.00 0.00 178.31 176.34 1by1 h GLN 68 N -0.82 0.00 0.21 1.11 -0.00 0.17 1.54 115.11 117.32 1by1 h GLN 68 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1by1 h GLN 68 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.04 1by1 h GLN 68 CO 0.12 0.00 -0.10 1.96 -0.00 0.00 0.00 178.83 180.81 1by1 h GLN 69 N 0.00 -0.27 0.00 0.06 1.08 -1.44 -3.32 115.11 111.22 1by1 h GLN 69 Ca 0.48 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 1by1 h GLN 69 Cb 2.41 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.90 1by1 h GLN 69 CO -0.01 -0.15 -0.07 0.00 -0.95 0.00 0.00 178.83 177.66 1by1 h MET 70 N -1.07 0.00 -0.07 1.46 -0.00 -0.36 -3.14 114.93 111.76 1by1 h MET 70 Ca -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1by1 h MET 70 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.84 1by1 h MET 70 CO 0.05 0.07 -0.05 1.25 -0.00 0.00 0.00 176.91 178.22 1by1 h LEU 71 N 0.00 -0.17 0.12 -0.10 7.12 0.20 -0.04 115.31 122.43 1by1 h LEU 71 Ca -0.00 0.03 -0.34 0.00 0.13 0.00 0.00 57.88 57.70 1by1 h LEU 71 Cb 0.64 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 1by1 h LEU 71 CO 0.01 -0.02 -1.80 0.58 -0.13 0.00 0.00 178.44 177.08 1by1 h VAL 72 N -0.01 0.75 -0.45 1.05 2.07 -1.74 -3.38 116.25 114.55 1by1 h VAL 72 Ca 0.01 -2.35 -0.03 0.00 0.82 0.00 0.00 66.70 65.15 1by1 h VAL 72 Cb 0.04 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1by1 h VAL 72 CO -0.07 0.80 0.16 0.06 0.02 0.00 0.00 177.57 178.54 1by1 h GLN 73 N -0.11 0.68 0.82 1.57 -0.00 -1.59 -1.49 115.11 115.00 1by1 h GLN 73 Ca -0.39 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.09 1by1 h GLN 73 Cb 1.92 -0.11 0.01 0.00 -0.00 0.00 0.00 27.48 29.30 1by1 h GLN 73 CO 0.06 0.64 -0.40 1.03 -0.00 0.00 0.00 178.83 180.16 1by1 h SER 74 N 0.58 -0.95 0.03 0.06 0.87 -1.18 -1.25 113.55 111.71 1by1 h SER 74 Ca 0.15 0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.53 1by1 h SER 74 Cb 0.23 0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1by1 h SER 74 CO -0.01 -0.67 -0.80 0.17 -0.53 0.00 0.00 176.83 174.99 1by1 h LEU 75 N -1.11 0.77 -0.48 2.23 8.10 -1.67 -3.29 115.31 119.86 1by1 h LEU 75 Ca -0.11 -0.52 -0.14 0.00 0.11 0.00 0.00 57.88 57.22 1by1 h LEU 75 Cb 0.85 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 1by1 h LEU 75 CO 0.18 1.30 -0.31 -0.33 -4.11 0.00 0.00 178.44 175.17 1by1 h GLU 76 N 0.42 0.92 -0.50 0.17 4.39 -1.35 -2.12 114.58 116.51 1by1 h GLU 76 Ca -0.05 -0.44 0.15 0.00 0.34 0.00 0.00 59.36 59.36 1by1 h GLU 76 Cb 1.41 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.03 1by1 h GLU 76 CO 0.15 1.09 0.39 0.93 -1.16 0.00 0.00 179.01 180.41 1by1 h GLU 77 N 0.77 0.00 0.00 2.33 5.08 -1.29 -1.13 114.58 120.35 1by1 h GLU 77 Ca 0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1by1 h GLU 77 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1by1 h GLU 77 CO 0.08 0.00 -0.77 0.00 -1.00 0.00 0.00 179.01 177.32 1by1 h THR 79 N -1.00 0.23 -0.63 0.00 1.35 -1.25 -1.41 112.91 110.19 1by1 h THR 79 Ca -0.14 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.84 1by1 h THR 79 Cb 0.80 0.23 -0.12 0.00 -1.73 0.00 0.00 68.15 67.34 1by1 h THR 79 CO -0.08 0.00 -0.25 0.11 -0.25 0.00 0.00 175.52 175.04 1by1 h LYS 80 N -0.33 -0.08 -6.81 4.72 6.56 -1.42 -3.14 116.57 116.06 1by1 h LYS 80 Ca 0.13 0.01 -0.53 0.00 -1.06 0.00 0.00 60.65 59.20 1by1 h LYS 80 Cb 0.55 0.02 0.07 0.00 -0.57 0.00 0.00 32.23 32.30 1by1 h LYS 80 CO -0.46 -0.06 0.74 -0.51 -2.06 0.00 0.00 179.45 177.10 1by1 s LEU 81 N -10.81 4.39 -0.10 2.94 1.43 -0.53 -4.59 118.68 111.39 1by1 s LEU 81 Ca -0.14 2.74 -0.01 0.00 -1.03 0.00 0.00 54.13 55.69 1by1 s LEU 81 Cb 0.18 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1by1 s LEU 81 CO 0.72 -0.69 0.44 -2.65 0.23 0.00 0.00 176.35 174.40 1by1 n PRO 82 N 1.65 0.00 0.00 1.29 -0.02 -1.26 -3.91 135.00 132.76 1by1 n PRO 82 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1by1 n PRO 82 Cb 0.40 -0.33 0.00 0.00 -0.02 0.00 0.00 33.50 33.55 1by1 n PRO 82 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1by1 n GLU 83 N 1.58 0.00 0.00 -0.52 2.13 -1.19 -4.80 120.64 117.84 1by1 n GLU 83 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1by1 n GLU 83 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.84 1by1 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1by1 n ALA 84 N 3.72 0.00 0.00 4.31 0.00 -1.25 -3.18 120.51 124.11 1by1 n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1by1 n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1by1 n ALA 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1by1 n GLN 85 N 0.00 0.00 0.00 0.00 1.13 -1.26 -5.09 117.38 112.16 1by1 n GLN 85 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1by1 n GLN 85 Cb 0.00 -0.31 0.00 0.00 0.11 0.00 0.00 30.24 30.04 1by1 n GLN 85 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1by1 n GLN 86 N -1.40 0.00 -2.58 -1.09 6.02 -1.19 -4.98 117.38 112.16 1by1 n GLN 86 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1by1 n GLN 86 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1by1 n GLN 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1by1 n ARG 87 N -0.16 -4.04 0.24 -1.09 1.74 -1.26 -4.77 116.66 107.33 1by1 n ARG 87 Ca 0.00 3.12 0.07 0.00 -0.77 0.00 0.00 57.85 60.27 1by1 n ARG 87 Cb 0.00 -5.00 0.59 0.00 -1.02 0.00 0.00 32.46 27.03 1by1 n ARG 87 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1by1 h VAL 88 N 3.55 1.03 0.02 1.55 2.07 -1.93 -2.94 116.25 119.60 1by1 h VAL 88 Ca -0.36 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1by1 h VAL 88 Cb 0.81 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1by1 h VAL 88 CO 0.04 0.09 -0.01 1.23 0.02 0.00 0.00 177.57 178.94 1by1 h GLY 89 N 0.29 -0.03 -0.67 2.17 0.00 -1.93 -0.05 103.07 102.85 1by1 h GLY 89 Ca -0.00 0.01 0.38 0.00 0.00 0.00 0.00 47.33 47.72 1by1 h GLY 89 CO 0.01 -0.01 0.93 -1.33 0.00 0.00 0.00 176.54 176.14 1by1 h GLY 90 N -0.27 0.22 0.00 4.60 0.00 -1.81 1.26 103.07 107.06 1by1 h GLY 90 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1by1 h GLY 90 CO 0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 176.54 176.10 1by1 h PHE 92 N -0.82 0.00 0.00 0.00 0.04 -0.56 0.49 116.94 116.09 1by1 h PHE 92 Ca 0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1by1 h PHE 92 Cb 0.41 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1by1 h PHE 92 CO -0.18 0.00 -0.31 -0.07 -0.60 0.00 0.00 178.31 177.15 1by1 h LEU 93 N 0.00 0.00 -0.33 1.54 3.38 0.14 -2.23 115.31 117.81 1by1 h LEU 93 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1by1 h LEU 93 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1by1 h LEU 93 CO -0.00 0.31 -0.34 -1.13 0.09 0.00 0.00 178.44 177.37 1by1 h ASN 94 N 0.00 0.00 0.35 -0.43 -0.73 -0.17 -3.06 115.58 111.54 1by1 h ASN 94 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1by1 h ASN 94 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1by1 h ASN 94 CO 0.04 0.34 -0.35 -0.11 -0.37 0.00 0.00 177.43 176.98 1by1 n LEU 95 N -3.25 0.80 -0.34 0.34 -0.00 -0.89 -4.40 117.00 109.25 1by1 n LEU 95 Ca 0.02 -0.15 0.04 0.00 -0.00 0.00 0.00 56.01 55.92 1by1 n LEU 95 Cb 0.61 -0.18 0.11 0.00 -0.00 0.00 0.00 43.42 43.97 1by1 n LEU 95 CO 0.37 0.16 0.66 -0.03 -0.00 0.00 0.00 177.39 178.55 1by1 h MET 96 N 0.70 -0.00 -0.55 1.96 4.05 -1.32 0.83 114.93 120.59 1by1 h MET 96 Ca 0.00 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.53 1by1 h MET 96 Cb 0.50 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.19 1by1 h MET 96 CO 0.00 -0.00 -0.26 -1.35 0.23 0.00 0.00 176.91 175.52 1by1 h PRO 97 N -0.00 -0.12 0.12 0.39 0.11 -1.83 0.44 132.00 131.10 1by1 h PRO 97 Ca 0.44 0.01 -0.25 0.00 0.11 0.00 0.00 66.00 66.31 1by1 h PRO 97 Cb 0.68 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1by1 h PRO 97 CO -0.97 -0.08 -1.23 1.96 -0.21 0.00 0.00 178.00 177.47 1by1 h GLN 98 N -0.13 0.25 -0.98 1.05 1.08 -1.53 -2.96 115.11 111.88 1by1 h GLN 98 Ca 0.24 -0.42 0.18 0.00 -1.45 0.00 0.00 58.65 57.20 1by1 h GLN 98 Cb 0.52 0.16 -0.09 0.00 -0.05 0.00 0.00 27.48 28.01 1by1 h GLN 98 CO -0.63 1.20 0.61 1.98 -0.95 0.00 0.00 178.83 181.05 1by1 h MET 99 N -0.36 0.72 0.06 1.46 4.05 0.84 0.46 114.93 122.16 1by1 h MET 99 Ca -0.26 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.04 1by1 h MET 99 Cb 1.70 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 32.35 1by1 h MET 99 CO 0.07 0.48 -0.35 -0.22 0.23 0.00 0.00 176.91 177.11 1by1 h LYS 100 N 0.74 0.14 -0.46 0.39 3.64 -0.24 -2.90 116.57 117.88 1by1 h LYS 100 Ca 0.54 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1by1 h LYS 100 Cb 0.87 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1by1 h LYS 100 CO -0.32 1.09 -0.19 1.15 -2.27 0.00 0.00 179.45 178.92 1by1 h THR 101 N -0.70 1.27 -0.08 1.00 2.02 -1.28 -2.88 112.91 112.26 1by1 h THR 101 Ca -0.06 -1.32 -0.17 0.00 0.77 0.00 0.00 66.41 65.63 1by1 h THR 101 Cb 1.26 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 68.80 1by1 h THR 101 CO 0.07 0.45 -0.61 -0.07 0.37 0.00 0.00 175.52 175.73 1by1 h LEU 102 N 0.79 0.68 0.22 2.58 3.38 -0.23 -3.12 115.31 119.61 1by1 h LEU 102 Ca 0.11 -0.67 0.01 0.00 0.09 0.00 0.00 57.88 57.42 1by1 h LEU 102 Cb 0.73 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1by1 h LEU 102 CO 0.06 1.24 -0.27 1.88 0.09 0.00 0.00 178.44 181.44 1by1 h TYR 103 N 0.17 -0.72 -0.84 1.13 -1.99 -1.53 0.11 116.97 113.28 1by1 h TYR 103 Ca -0.05 0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.85 1by1 h TYR 103 Cb 1.26 0.29 -0.10 0.00 2.00 0.00 0.00 36.73 40.18 1by1 h TYR 103 CO 0.11 -0.39 0.40 -0.07 -0.00 0.00 0.00 178.16 178.22 1by1 h LEU 104 N -0.54 0.44 0.27 3.88 3.38 -1.61 -2.27 115.31 118.85 1by1 h LEU 104 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1by1 h LEU 104 Cb 0.52 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1by1 h LEU 104 CO -0.09 0.15 -0.13 0.74 0.09 0.00 0.00 178.44 179.20 1by1 h THR 105 N 0.54 0.73 -0.95 0.22 2.02 -1.38 -2.12 112.91 111.96 1by1 h THR 105 Ca 0.48 -0.75 0.29 0.00 0.77 0.00 0.00 66.41 67.19 1by1 h THR 105 Cb 0.74 1.10 -0.15 0.00 -1.74 0.00 0.00 68.15 68.11 1by1 h THR 105 CO -0.41 0.14 0.43 0.22 0.37 0.00 0.00 175.52 176.27 1by1 h TYR 106 N -0.79 0.69 0.11 3.16 3.20 -0.34 1.23 116.97 124.22 1by1 h TYR 106 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1by1 h TYR 106 Cb 0.51 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1by1 h TYR 106 CO 0.04 -0.19 -0.05 0.00 -1.64 0.00 0.00 178.16 176.32 1by1 h ALA 108 N -0.86 1.73 0.00 0.00 0.00 -0.91 -1.16 119.26 118.06 1by1 h ALA 108 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1by1 h ALA 108 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1by1 h ALA 108 CO 0.02 -0.01 -1.10 0.09 0.00 0.00 0.00 179.25 178.26 1by1 n ASN 109 N -4.13 0.79 -0.19 0.00 4.13 0.42 -4.32 115.26 111.95 1by1 n ASN 109 Ca -0.03 0.31 -0.02 0.00 1.68 0.00 0.00 54.58 56.51 1by1 n ASN 109 Cb 0.09 0.55 0.04 0.00 -1.54 0.00 0.00 39.78 38.92 1by1 n ASN 109 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1by1 h HIS 110 N 0.00 -0.48 -0.62 3.10 2.76 0.21 1.25 115.15 121.38 1by1 h HIS 110 Ca -0.01 0.06 0.13 0.00 -2.20 0.00 0.00 60.37 58.35 1by1 h HIS 110 Cb 1.03 0.30 -0.10 0.00 1.55 0.00 0.00 27.41 30.19 1by1 h HIS 110 CO 0.00 -0.30 0.06 -1.35 -1.30 0.00 0.00 177.93 175.04 1by1 h PRO 111 N -0.06 0.17 0.00 5.26 0.11 -1.75 -1.33 132.00 134.41 1by1 h PRO 111 Ca 0.27 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 66.16 1by1 h PRO 111 Cb 0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1by1 h PRO 111 CO -0.63 0.11 -1.02 0.77 -0.21 0.00 0.00 178.00 177.02 1by1 h SER 112 N 0.18 0.01 -0.21 -2.05 0.02 -1.45 -3.37 113.55 106.68 1by1 h SER 112 Ca 0.33 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1by1 h SER 112 Cb 0.52 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 1by1 h SER 112 CO -0.48 1.01 -0.40 0.00 -1.14 0.00 0.00 176.83 175.82 1by1 h ALA 113 N 0.99 -0.70 -0.73 3.77 0.00 0.27 0.28 119.26 123.15 1by1 h ALA 113 Ca -0.02 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1by1 h ALA 113 Cb 1.78 0.96 -0.03 0.00 0.00 0.00 0.00 17.79 20.50 1by1 h ALA 113 CO 0.13 -0.87 0.59 0.28 0.00 0.00 0.00 179.25 179.38 1by1 h VAL 114 N -0.34 0.47 0.05 0.00 2.07 -1.66 0.25 116.25 117.08 1by1 h VAL 114 Ca 0.04 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.29 1by1 h VAL 114 Cb 0.45 0.57 0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1by1 h VAL 114 CO -0.38 0.00 -1.10 -1.13 0.02 0.00 0.00 177.57 174.98 1by1 h ASN 115 N 0.00 0.80 -0.78 0.57 -0.73 -0.81 -2.88 115.58 111.75 1by1 h ASN 115 Ca 0.34 -0.68 0.15 0.00 1.87 0.00 0.00 56.30 57.98 1by1 h ASN 115 Cb 1.53 -0.25 -0.10 0.00 0.27 0.00 0.00 38.32 39.77 1by1 h ASN 115 CO -0.00 1.49 0.32 0.58 -0.37 0.00 0.00 177.43 179.44 1by1 h VAL 116 N 0.31 0.64 0.26 2.57 2.07 0.28 0.50 116.25 122.86 1by1 h VAL 116 Ca -0.14 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1by1 h VAL 116 Cb 1.76 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1by1 h VAL 116 CO 0.21 0.08 -0.12 -0.07 0.02 0.00 0.00 177.57 177.69 1by1 h LEU 117 N 0.45 -0.29 -1.79 2.57 3.38 -1.59 0.97 115.31 119.00 1by1 h LEU 117 Ca 0.43 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.69 1by1 h LEU 117 Cb 0.68 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1by1 h LEU 117 CO -0.42 0.12 0.83 0.74 0.09 0.00 0.00 178.44 179.80 1by1 h THR 118 N -1.00 0.29 0.03 0.22 2.02 -1.36 1.53 112.91 114.64 1by1 h THR 118 Ca -0.04 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.83 1by1 h THR 118 Cb 0.26 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1by1 h THR 118 CO 0.06 0.00 -1.80 -0.62 0.37 0.00 0.00 175.52 173.53 1by1 n GLU 119 N -3.82 0.66 -1.13 6.66 -0.58 0.17 -4.02 120.64 118.59 1by1 n GLU 119 Ca 0.20 0.28 -0.18 0.00 -0.42 0.00 0.00 57.16 57.04 1by1 n GLU 119 Cb 1.15 -1.77 0.20 0.00 -0.57 0.00 0.00 31.44 30.45 1by1 n GLU 119 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1by1 n HIS 120 N -3.13 2.66 -0.34 -0.32 8.25 0.39 -4.58 115.22 118.15 1by1 n HIS 120 Ca -0.21 -1.71 0.01 0.00 -0.26 0.00 0.00 57.72 55.56 1by1 n HIS 120 Cb 1.05 -0.84 0.15 0.00 1.12 0.00 0.00 29.99 31.48 1by1 n HIS 120 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1by1 h SER 121 N 1.26 0.94 0.53 0.41 4.64 0.14 0.17 113.55 121.64 1by1 h SER 121 Ca 0.51 0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.55 1by1 h SER 121 Cb 2.60 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 64.49 1by1 h SER 121 CO 0.94 0.61 -1.46 -0.33 -0.87 0.00 0.00 176.83 175.72 1by1 h GLU 122 N 1.08 0.21 0.52 4.77 5.08 -1.84 -2.25 114.58 122.15 1by1 h GLU 122 Ca 0.40 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1by1 h GLU 122 Cb 0.14 0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1by1 h GLU 122 CO -0.16 1.08 -0.25 0.93 -1.00 0.00 0.00 179.01 179.61 1by1 h GLU 123 N 0.06 -0.67 -0.88 2.33 5.08 -1.80 0.10 114.58 118.80 1by1 h GLU 123 Ca -0.21 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1by1 h GLU 123 Cb 1.99 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 31.35 1by1 h GLU 123 CO 0.16 -0.44 0.52 -0.07 -1.00 0.00 0.00 179.01 178.18 1by1 h LEU 124 N -1.17 1.07 -1.64 1.33 3.38 -0.85 -0.88 115.31 116.56 1by1 h LEU 124 Ca -0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1by1 h LEU 124 Cb 0.53 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1by1 h LEU 124 CO 0.12 0.83 -0.20 1.23 0.09 0.00 0.00 178.44 180.50 1by1 h GLY 125 N 1.23 0.00 0.47 0.83 0.00 -1.46 -2.76 103.07 101.38 1by1 h GLY 125 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 1by1 h GLY 125 CO -0.06 0.00 -0.42 -2.09 0.00 0.00 0.00 176.54 173.97 1by1 h GLU 126 N 0.00 -0.85 -0.33 4.80 4.22 0.52 0.88 114.58 123.82 1by1 h GLU 126 Ca -0.00 0.06 0.06 0.00 0.08 0.00 0.00 59.36 59.56 1by1 h GLU 126 Cb 0.39 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1by1 h GLU 126 CO 0.03 -0.57 0.23 0.27 -2.18 0.00 0.00 179.01 176.78 1by1 h PHE 127 N -0.88 0.17 0.00 0.92 -5.15 -1.50 0.11 116.94 110.60 1by1 h PHE 127 Ca -0.06 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.63 1by1 h PHE 127 Cb 0.75 -0.06 -0.01 0.00 0.22 0.00 0.00 35.95 36.86 1by1 h PHE 127 CO -0.19 0.09 -0.38 1.98 -2.00 0.00 0.00 178.31 177.81 1by1 h MET 128 N 0.17 0.00 -0.96 6.09 4.05 -1.06 -3.20 114.93 120.03 1by1 h MET 128 Ca 0.15 0.00 0.17 0.00 -0.28 0.00 0.00 59.70 59.73 1by1 h MET 128 Cb 0.37 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.09 1by1 h MET 128 CO -0.02 0.38 0.61 1.05 0.23 0.00 0.00 176.91 179.15 1by1 h GLU 129 N 0.00 0.71 -0.77 0.39 -0.00 0.35 0.37 114.58 115.63 1by1 h GLU 129 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 1by1 h GLU 129 Cb 1.06 -0.16 0.00 0.00 -0.00 0.00 0.00 28.75 29.65 1by1 h GLU 129 CO 0.05 0.47 0.00 -2.37 -0.00 0.00 0.00 179.01 177.16 1by1 n THR 130 N -4.63 1.40 0.00 -1.06 5.66 -1.21 -4.07 114.28 110.37 1by1 n THR 130 Ca 0.20 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1by1 n THR 130 Cb 0.52 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 1by1 n THR 130 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1by1 n LYS 131 N 0.34 0.00 0.00 1.09 4.76 0.12 -5.05 118.16 119.42 1by1 n LYS 131 Ca 0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.58 1by1 n LYS 131 Cb 0.73 -0.72 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 1by1 n LYS 131 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1by1 n GLY 132 N 3.14 2.16 2.63 0.72 0.00 -0.65 -5.04 105.19 108.15 1by1 n GLY 132 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1by1 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1by1 n ALA 133 N -0.41 -1.85 -1.08 4.61 0.00 -1.26 -4.79 120.51 115.73 1by1 n ALA 133 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1by1 n ALA 133 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1by1 n ALA 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1by1 n SER 134 N -4.16 0.00 0.10 0.00 3.41 -1.26 -5.06 113.62 106.65 1by1 n SER 134 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1by1 n SER 134 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1by1 n SER 134 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1by1 n SER 135 N -0.69 -1.11 -2.28 4.04 2.88 -1.26 -4.93 113.62 110.26 1by1 n SER 135 Ca 0.00 0.35 -0.09 0.00 -1.33 0.00 0.00 58.87 57.80 1by1 n SER 135 Cb 0.00 1.21 -0.10 0.00 -0.75 0.00 0.00 64.21 64.58 1by1 n SER 135 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1by1 n PRO 136 N -2.99 1.36 0.00 -1.46 -0.02 -1.26 -4.92 135.00 125.71 1by1 n PRO 136 Ca 0.00 -0.72 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 1by1 n PRO 136 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1by1 n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1by1 n GLY 137 N 2.79 0.58 0.08 -1.23 0.00 -1.26 -2.64 105.19 103.50 1by1 n GLY 137 Ca 0.29 -0.85 0.14 0.00 0.00 0.00 0.00 46.02 45.61 1by1 n GLY 137 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1by1 n ILE 138 N -0.02 0.00 1.19 -0.61 0.00 -1.26 -3.54 119.36 115.12 1by1 n ILE 138 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 62.75 62.82 1by1 n ILE 138 Cb 0.00 -0.19 0.61 0.00 0.00 0.00 0.00 39.64 40.06 1by1 n ILE 138 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1by1 n LEU 139 N -1.08 0.00 -0.66 9.51 4.32 -1.17 -3.96 117.00 123.96 1by1 n LEU 139 Ca 0.14 0.21 0.50 0.00 -0.02 0.00 0.00 56.01 56.84 1by1 n LEU 139 Cb 0.27 -0.21 0.78 0.00 -1.62 0.00 0.00 43.42 42.65 1by1 n LEU 139 CO 0.24 -0.05 1.41 0.52 -1.22 0.00 0.00 177.39 178.29 1by1 n VAL 140 N -1.21 -0.04 0.00 4.08 0.31 -1.08 -2.48 118.33 117.91 1by1 n VAL 140 Ca 0.13 1.51 0.00 0.00 -0.01 0.00 0.00 64.34 65.97 1by1 n VAL 140 Cb 0.15 -2.51 0.00 0.00 -0.91 0.00 0.00 33.84 30.57 1by1 n VAL 140 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1by1 n LEU 141 N -4.01 0.00 -0.27 7.52 4.77 -1.25 -0.29 117.00 123.46 1by1 n LEU 141 Ca 0.43 0.56 0.04 0.00 -0.03 0.00 0.00 56.01 57.01 1by1 n LEU 141 Cb 1.91 -0.06 0.14 0.00 -2.33 0.00 0.00 43.42 43.08 1by1 n LEU 141 CO 0.39 -0.06 0.77 0.74 -1.33 0.00 0.00 177.39 177.90 1by1 h THR 142 N 0.00 0.26 -0.01 -5.08 2.02 -1.80 1.23 112.91 109.53 1by1 h THR 142 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1by1 h THR 142 Cb 0.00 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1by1 h THR 142 CO 0.00 0.01 -0.09 0.74 0.37 0.00 0.00 175.52 176.54 1by1 h THR 143 N 0.04 0.00 0.00 3.16 2.02 -1.48 0.79 112.91 117.44 1by1 h THR 143 Ca 0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1by1 h THR 143 Cb 0.69 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1by1 h THR 143 CO -0.75 0.00 -0.05 1.23 0.37 0.00 0.00 175.52 176.32 1by1 h GLY 144 N -0.11 0.00 -3.51 2.16 0.00 -0.18 -2.93 103.07 98.49 1by1 h GLY 144 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1by1 h GLY 144 CO -0.07 0.00 0.29 1.04 0.00 0.00 0.00 176.54 177.81 1by1 n LEU 145 N -3.17 5.76 0.00 3.11 4.77 0.42 -4.72 117.00 123.17 1by1 n LEU 145 Ca 0.01 -3.00 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 1by1 n LEU 145 Cb 0.35 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1by1 n LEU 145 CO 0.29 0.79 0.20 -0.24 -1.33 0.00 0.00 177.39 177.10 1by1 n SER 146 N -0.21 0.00 -4.50 -1.43 2.88 0.22 -4.49 113.62 106.09 1by1 n SER 146 Ca 0.39 0.41 -0.41 0.00 -1.33 0.00 0.00 58.87 57.93 1by1 n SER 146 Cb 1.32 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.64 1by1 n SER 146 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1by1 n LYS 147 N -0.45 0.12 -0.01 -1.46 4.01 -1.26 -4.81 118.16 114.31 1by1 n LYS 147 Ca 0.00 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1by1 n LYS 147 Cb 0.00 -1.73 -0.00 0.00 -0.51 0.00 0.00 35.03 32.79 1by1 n LYS 147 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1by1 h PRO 148 N 12.83 0.00 -0.45 1.97 0.13 -2.00 -3.43 132.00 141.06 1by1 h PRO 148 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1by1 h PRO 148 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1by1 h PRO 148 CO 1.36 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 180.32 1by1 n PHE 149 N -2.49 0.58 0.26 1.56 3.72 -1.26 -4.37 117.46 115.46 1by1 n PHE 149 Ca -0.01 -0.30 0.15 0.00 -0.05 0.00 0.00 57.45 57.24 1by1 n PHE 149 Cb 0.03 -0.00 0.87 0.00 -0.94 0.00 0.00 39.48 39.43 1by1 n PHE 149 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1by1 h MET 150 N 4.37 0.00 0.00 -1.08 4.05 -1.95 -0.19 114.93 120.14 1by1 h MET 150 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1by1 h MET 150 Cb 0.98 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1by1 h MET 150 CO 0.00 0.00 -1.41 -2.13 0.23 0.00 0.00 176.91 173.60 1by1 n ARG 151 N -3.90 0.56 0.15 0.39 0.00 -1.26 -4.12 116.66 108.48 1by1 n ARG 151 Ca -0.02 -0.03 0.12 0.00 -0.00 0.00 0.00 57.85 57.93 1by1 n ARG 151 Cb 0.16 -1.66 0.54 0.00 0.00 0.00 0.00 32.46 31.51 1by1 n ARG 151 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1by1 h LEU 152 N 0.00 0.00 -0.02 6.15 5.85 -1.27 -2.39 115.31 123.63 1by1 h LEU 152 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1by1 h LEU 152 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1by1 h LEU 152 CO 0.00 0.00 0.00 -0.67 -0.34 0.00 0.00 178.44 177.43 1by1 n ASP 153 N -2.30 0.21 -0.03 1.25 -0.08 -1.21 -3.38 116.55 111.01 1by1 n ASP 153 Ca 0.01 0.52 0.05 0.00 -1.51 0.00 0.00 54.79 53.86 1by1 n ASP 153 Cb 0.17 -0.58 -0.16 0.00 2.34 0.00 0.00 41.12 42.89 1by1 n ASP 153 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1by1 n LYS 154 N -1.70 0.68 -0.06 -0.67 4.76 -0.90 -4.56 118.16 115.71 1by1 n LYS 154 Ca 0.06 -0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 1by1 n LYS 154 Cb 0.35 -1.51 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1by1 n LYS 154 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1by1 h TYR 155 N 0.00 -1.37 -0.26 2.13 0.05 -1.61 0.10 116.97 116.01 1by1 h TYR 155 Ca -0.15 0.06 0.07 0.00 0.05 0.00 0.00 58.73 58.77 1by1 h TYR 155 Cb 1.32 0.64 -0.01 0.00 1.01 0.00 0.00 36.73 39.68 1by1 h TYR 155 CO 0.00 -0.48 0.71 -1.35 -1.05 0.00 0.00 178.16 175.99 1by1 h PRO 156 N -0.45 0.00 0.74 4.88 0.11 -1.80 -1.48 132.00 134.00 1by1 h PRO 156 Ca 0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1by1 h PRO 156 Cb 0.62 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.74 1by1 h PRO 156 CO -0.49 0.00 -0.36 1.15 -0.21 0.00 0.00 178.00 178.09 1by1 h THR 157 N 0.00 0.09 -0.22 -1.15 2.02 -1.25 0.11 112.91 112.50 1by1 h THR 157 Ca 0.12 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1by1 h THR 157 Cb 1.55 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1by1 h THR 157 CO -0.00 0.01 0.37 -0.07 0.37 0.00 0.00 175.52 176.20 1by1 h LEU 158 N -1.21 0.00 0.00 2.58 3.38 -1.36 0.50 115.31 119.20 1by1 h LEU 158 Ca -0.10 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.64 1by1 h LEU 158 Cb 0.78 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1by1 h LEU 158 CO 0.17 0.00 -1.22 -0.07 0.09 0.00 0.00 178.44 177.41 1by1 h LEU 159 N 0.00 0.00 0.00 1.67 3.38 -1.38 -3.06 115.31 115.92 1by1 h LEU 159 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1by1 h LEU 159 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1by1 h LEU 159 CO -0.00 0.98 -0.82 1.17 0.09 0.00 0.00 178.44 179.86 1by1 n LYS 160 N -3.24 0.49 -0.07 1.13 3.00 0.12 -3.58 118.16 116.02 1by1 n LYS 160 Ca -0.05 0.52 -0.10 0.00 -0.00 0.00 0.00 58.31 58.68 1by1 n LYS 160 Cb 0.97 -1.69 -0.03 0.00 0.00 0.00 0.00 35.03 34.27 1by1 n LYS 160 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1by1 h GLU 161 N -1.00 0.35 0.00 1.64 4.39 -0.45 -2.22 114.58 117.29 1by1 h GLU 161 Ca -0.13 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1by1 h GLU 161 Cb 0.80 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1by1 h GLU 161 CO -0.08 0.31 -0.12 1.25 -1.16 0.00 0.00 179.01 179.21 1by1 h LEU 162 N 0.30 0.00 -0.15 1.33 6.46 -1.66 -2.64 115.31 118.95 1by1 h LEU 162 Ca 0.09 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1by1 h LEU 162 Cb 0.06 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1by1 h LEU 162 CO -0.01 0.12 -0.18 -0.08 -0.62 0.00 0.00 178.44 177.66 1by1 h GLU 163 N 0.00 0.39 -0.42 1.25 4.22 -1.47 -3.20 114.58 115.36 1by1 h GLU 163 Ca -0.00 -0.22 -0.05 0.00 0.08 0.00 0.00 59.36 59.17 1by1 h GLU 163 Cb 0.34 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1by1 h GLU 163 CO 0.02 0.79 0.06 0.00 -2.18 0.00 0.00 179.01 177.69 1by1 h ARG 164 N 0.01 0.64 0.00 1.92 3.08 -1.10 -3.46 114.38 115.47 1by1 h ARG 164 Ca 0.02 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1by1 h ARG 164 Cb 0.73 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1by1 h ARG 164 CO 0.04 0.62 0.00 0.72 -1.07 0.00 0.00 179.97 180.28 1by1 n HIS 165 N -4.28 0.00 -2.70 3.04 8.25 -1.05 -2.19 115.22 116.29 1by1 n HIS 165 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.42 1by1 n HIS 165 Cb 0.23 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.39 1by1 n HIS 165 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1by1 n MET 166 N 0.00 1.27 -2.28 -0.41 1.56 -1.26 -4.97 117.12 111.03 1by1 n MET 166 Ca 0.00 -2.98 0.00 0.00 -0.27 0.00 0.00 57.70 54.45 1by1 n MET 166 Cb 0.00 -1.04 0.00 0.00 2.15 0.00 0.00 33.22 34.33 1by1 n MET 166 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1by1 n GLU 167 N -0.31 -4.07 -2.70 2.12 1.02 -0.93 -4.69 120.64 111.07 1by1 n GLU 167 Ca 0.06 2.95 0.00 0.00 -0.02 0.00 0.00 57.16 60.14 1by1 n GLU 167 Cb 0.82 -3.80 0.00 0.00 -0.02 0.00 0.00 31.44 28.45 1by1 n GLU 167 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1by1 n ASP 168 N 1.89 -6.45 0.00 1.62 9.92 -1.26 -4.90 116.55 117.38 1by1 n ASP 168 Ca 0.00 0.73 0.00 0.00 -0.53 0.00 0.00 54.79 54.99 1by1 n ASP 168 Cb 0.00 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.14 1by1 n ASP 168 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1by1 n TYR 169 N 2.10 -0.73 -3.05 1.24 9.36 -1.26 -5.10 117.16 119.72 1by1 n TYR 169 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 1by1 n TYR 169 Cb 0.09 0.15 -0.06 0.00 -0.63 0.00 0.00 39.34 38.88 1by1 n TYR 169 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1by1 s HIS 170 N -1.69 3.10 0.00 2.98 2.46 -1.26 -5.05 115.29 115.83 1by1 s HIS 170 Ca 0.00 0.29 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1by1 s HIS 170 Cb 0.00 -3.33 0.00 0.00 -0.13 0.00 0.00 32.58 29.12 1by1 s HIS 170 CO 0.00 -0.76 0.00 0.25 -2.47 0.00 0.00 174.74 171.76 1by1 n THR 171 N 5.78 0.00 -1.32 0.89 -2.24 -1.26 -4.25 114.28 111.87 1by1 n THR 171 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1by1 n THR 171 Cb 0.48 -1.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.05 1by1 n THR 171 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1by1 n ASP 172 N -1.40 -5.47 0.14 3.42 2.03 -1.26 -4.81 116.55 109.19 1by1 n ASP 172 Ca 0.00 0.29 0.05 0.00 0.52 0.00 0.00 54.79 55.65 1by1 n ASP 172 Cb 0.00 -4.14 0.48 0.00 -0.72 0.00 0.00 41.12 36.73 1by1 n ASP 172 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1by1 h ARG 173 N 0.00 0.22 -1.00 -0.67 -0.00 -1.95 -2.55 114.38 108.43 1by1 h ARG 173 Ca -0.24 -0.03 0.29 0.00 -0.00 0.00 0.00 59.98 60.00 1by1 h ARG 173 Cb 1.16 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.97 31.05 1by1 h ARG 173 CO 0.35 0.25 0.90 -0.56 -0.00 0.00 0.00 179.97 180.92 1by1 h GLN 174 N 0.21 0.00 -0.00 0.08 3.07 -1.95 1.30 115.11 117.82 1by1 h GLN 174 Ca 0.05 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.68 1by1 h GLN 174 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.72 1by1 h GLN 174 CO 0.00 0.00 -0.55 -0.44 0.09 0.00 0.00 178.83 177.93 1by1 h ASP 175 N 0.00 0.01 0.24 0.06 3.32 -1.85 -3.09 116.42 115.11 1by1 h ASP 175 Ca 0.47 -0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.22 1by1 h ASP 175 Cb 2.27 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.85 1by1 h ASP 175 CO -0.00 0.56 -1.29 0.40 -1.72 0.00 0.00 179.24 177.18 1by1 h ILE 176 N 0.01 1.32 -0.67 0.35 2.04 0.15 -3.14 117.51 117.57 1by1 h ILE 176 Ca -0.01 -2.60 0.19 0.00 1.00 0.00 0.00 64.86 63.45 1by1 h ILE 176 Cb 0.98 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 39.83 1by1 h ILE 176 CO 0.07 0.78 0.48 1.56 0.00 0.00 0.00 178.15 181.05 1by1 h GLN 177 N 0.22 0.00 0.10 2.37 1.08 -1.31 0.20 115.11 117.76 1by1 h GLN 177 Ca -0.19 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.74 1by1 h GLN 177 Cb 1.97 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.40 1by1 h GLN 177 CO 0.24 0.00 -1.27 0.87 -0.95 0.00 0.00 178.83 177.72 1by1 h LYS 178 N 0.00 0.22 0.00 1.46 1.57 -1.56 -2.75 116.57 115.50 1by1 h LYS 178 Ca 0.32 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1by1 h LYS 178 Cb 1.28 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1by1 h LYS 178 CO -0.00 1.15 -0.00 0.77 -0.57 0.00 0.00 179.45 180.79 1by1 h SER 179 N 0.06 -0.00 0.04 0.86 0.02 -0.63 -2.18 113.55 111.72 1by1 h SER 179 Ca -0.14 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 1by1 h SER 179 Cb 1.95 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.48 1by1 h SER 179 CO 0.18 0.29 -0.20 0.00 -1.14 0.00 0.00 176.83 175.95 1by1 h MET 180 N -0.29 0.30 0.00 3.45 -0.00 -1.25 -0.12 114.93 117.02 1by1 h MET 180 Ca -0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 59.70 59.58 1by1 h MET 180 Cb 0.29 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1by1 h MET 180 CO 0.00 0.50 -0.14 0.00 -0.00 0.00 0.00 176.91 177.27 1by1 h ALA 181 N 1.51 1.09 0.00 -3.00 0.00 -1.35 -2.48 119.26 115.04 1by1 h ALA 181 Ca 0.05 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1by1 h ALA 181 Cb 0.52 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1by1 h ALA 181 CO 0.03 0.18 -0.99 0.00 0.00 0.00 0.00 179.25 178.48 1by1 h ALA 182 N 1.86 0.17 -1.02 0.00 0.00 -0.72 -2.96 119.26 116.57 1by1 h ALA 182 Ca -0.00 -0.95 0.30 0.00 0.00 0.00 0.00 54.91 54.26 1by1 h ALA 182 Cb 0.54 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 1by1 h ALA 182 CO 0.02 0.63 0.60 0.35 0.00 0.00 0.00 179.25 180.85 1by1 h PHE 183 N -1.00 0.91 0.07 0.00 3.04 -1.07 -0.05 116.94 118.83 1by1 h PHE 183 Ca -0.22 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.65 1by1 h PHE 183 Cb 1.01 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 39.28 1by1 h PHE 183 CO -0.02 -0.09 -0.48 -0.22 -2.02 0.00 0.00 178.31 175.48 1by1 h LYS 184 N 0.39 0.20 -0.43 1.11 3.64 -1.62 -3.26 116.57 116.61 1by1 h LYS 184 Ca 0.70 -0.31 0.12 0.00 -1.27 0.00 0.00 60.65 59.90 1by1 h LYS 184 Cb 1.59 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 1by1 h LYS 184 CO -0.53 1.11 0.55 -0.97 -2.27 0.00 0.00 179.45 177.34 1by1 h ASN 185 N -0.55 0.00 -0.65 4.20 -1.24 -0.88 0.33 115.58 116.80 1by1 h ASN 185 Ca -0.08 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.01 1by1 h ASN 185 Cb 1.34 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.32 1by1 h ASN 185 CO 0.09 0.00 0.31 -0.07 -1.29 0.00 0.00 177.43 176.47 1by1 h LEU 186 N 0.00 0.39 -0.43 0.34 3.38 -1.30 -1.34 115.31 116.35 1by1 h LEU 186 Ca 0.20 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 1by1 h LEU 186 Cb 1.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1by1 h LEU 186 CO -0.00 0.24 -0.73 0.77 0.09 0.00 0.00 178.44 178.81 1by1 h SER 187 N 0.54 0.43 0.13 -0.43 4.64 -1.13 -2.52 113.55 115.21 1by1 h SER 187 Ca 0.31 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1by1 h SER 187 Cb 0.32 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1by1 h SER 187 CO -0.25 1.01 -0.11 0.00 -0.87 0.00 0.00 176.83 176.61 1by1 h ALA 188 N 0.98 1.73 0.00 5.18 0.00 -1.21 -3.01 119.26 122.93 1by1 h ALA 188 Ca -0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1by1 h ALA 188 Cb 1.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1by1 h ALA 188 CO 0.12 0.14 -0.62 1.96 0.00 0.00 0.00 179.25 180.85 1by1 h GLN 189 N 0.00 0.00 -1.16 0.00 1.08 -1.21 -3.36 115.11 110.46 1by1 h GLN 189 Ca -0.00 0.00 0.34 0.00 -1.45 0.00 0.00 58.65 57.54 1by1 h GLN 189 Cb 0.20 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 1by1 h GLN 189 CO 0.01 0.75 0.94 0.00 -0.95 0.00 0.00 178.83 179.58 1by1 h GLN 191 N 0.00 0.00 0.00 0.00 3.07 -1.67 -3.40 115.11 113.11 1by1 h GLN 191 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.29 1by1 h GLN 191 Cb 2.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.98 1by1 h GLN 191 CO -0.01 0.00 -0.02 -1.91 0.09 0.00 0.00 178.83 176.98 1by1 n GLU 192 N -3.07 0.01 -2.18 0.06 2.13 0.32 -4.99 120.64 112.92 1by1 n GLU 192 Ca 0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.74 1by1 n GLU 192 Cb 0.31 -0.17 -0.01 0.00 0.27 0.00 0.00 31.44 31.84 1by1 n GLU 192 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1by1 n VAL 193 N -2.74 -0.34 -0.08 6.31 0.31 -0.12 -4.81 118.33 116.86 1by1 n VAL 193 Ca -0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1by1 n VAL 193 Cb 0.01 -1.23 -0.12 0.00 -0.91 0.00 0.00 33.84 31.59 1by1 n VAL 193 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1by1 h ARG 194 N 0.00 0.01 0.00 5.55 3.08 -1.94 -3.34 114.38 117.74 1by1 h ARG 194 Ca -0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1by1 h ARG 194 Cb 1.04 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1by1 h ARG 194 CO 0.27 1.01 0.00 1.63 -1.07 0.00 0.00 179.97 181.80 1by1 n LYS 195 N -4.51 0.16 0.00 0.04 4.76 -1.26 -3.14 118.16 114.22 1by1 n LYS 195 Ca -0.20 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1by1 n LYS 195 Cb 0.58 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1by1 n LYS 195 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1by1 n ARG 196 N -2.10 0.00 0.05 1.97 3.00 -1.25 -1.81 116.66 116.51 1by1 n ARG 196 Ca 0.03 0.76 0.12 0.00 -0.00 0.00 0.00 57.85 58.76 1by1 n ARG 196 Cb 0.24 -1.39 0.19 0.00 0.00 0.00 0.00 32.46 31.49 1by1 n ARG 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1by1 n LYS 197 N -2.34 0.25 0.19 -0.14 5.02 -1.26 -3.86 118.16 116.03 1by1 n LYS 197 Ca 0.00 0.07 0.03 0.00 -2.02 0.00 0.00 58.31 56.40 1by1 n LYS 197 Cb 0.00 -1.66 0.42 0.00 -0.02 0.00 0.00 35.03 33.77 1by1 n LYS 197 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1by1 h GLU 198 N 0.00 0.04 0.00 1.97 4.39 -1.47 -2.02 114.58 117.49 1by1 h GLU 198 Ca 0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1by1 h GLU 198 Cb 0.71 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1by1 h GLU 198 CO 0.00 0.30 -0.10 1.25 -1.16 0.00 0.00 179.01 179.30 1by1 h LEU 199 N 0.03 0.00 0.00 1.33 7.12 -1.46 -3.37 115.31 118.97 1by1 h LEU 199 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1by1 h LEU 199 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1by1 h LEU 199 CO 0.04 0.10 0.00 1.21 -0.13 0.00 0.00 178.44 179.66 1by1 n GLU 200 N -3.44 0.00 -3.04 1.25 4.07 -0.81 -5.05 120.64 113.62 1by1 n GLU 200 Ca -0.01 0.01 -0.12 0.00 -0.06 0.00 0.00 57.16 56.97 1by1 n GLU 200 Cb 0.26 -0.12 0.01 0.00 -0.06 0.00 0.00 31.44 31.53 1by1 n GLU 200 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1by1 n LEU 201 N -1.55 -2.87 0.20 4.31 7.99 -0.87 -4.91 117.00 119.30 1by1 n LEU 201 Ca 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 1by1 n LEU 201 Cb 0.00 -1.42 0.00 0.00 -0.11 0.00 0.00 43.42 41.89 1by1 n LEU 201 CO 0.00 -0.84 0.00 1.67 -1.51 0.00 0.00 177.39 176.71 1by1 n GLN 202 N 0.75 0.00 0.00 3.23 -0.06 -1.26 -4.90 117.38 115.14 1by1 n GLN 202 Ca -0.03 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.10 1by1 n GLN 202 Cb 0.51 0.00 0.30 0.00 -4.06 0.00 0.00 30.24 26.99 1by1 n GLN 202 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1by1 n ILE 203 N -3.49 0.00 0.00 1.69 5.41 -1.26 -4.67 119.36 117.04 1by1 n ILE 203 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1by1 n ILE 203 Cb 0.00 0.47 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 1by1 n ILE 203 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1by1 n LEU 204 N -0.79 0.00 -4.79 1.39 4.77 -1.26 -4.93 117.00 111.39 1by1 n LEU 204 Ca 0.10 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.70 1by1 n LEU 204 Cb 0.36 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1by1 n LEU 204 CO 0.29 0.00 0.24 0.42 -1.33 0.00 0.00 177.39 177.00 1by1 s THR 205 N 0.00 4.89 -0.01 -5.08 -4.23 -1.26 -5.01 115.64 104.94 1by1 s THR 205 Ca 0.00 1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 61.62 1by1 s THR 205 Cb 0.00 -3.86 -0.00 0.00 1.34 0.00 0.00 72.50 69.97 1by1 s THR 205 CO 0.00 0.50 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.93 1by1 n GLU 206 N 2.24 0.04 -1.17 3.99 -0.58 -1.26 -4.69 120.64 119.21 1by1 n GLU 206 Ca -0.10 0.02 -0.06 0.00 -0.42 0.00 0.00 57.16 56.60 1by1 n GLU 206 Cb 0.51 -0.52 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1by1 n GLU 206 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1by1 n ALA 207 N -2.65 -0.09 -1.75 0.62 0.00 -1.26 -4.94 120.51 110.44 1by1 n ALA 207 Ca -0.01 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1by1 n ALA 207 Cb 0.04 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1by1 n ALA 207 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1by1 s ILE 208 N -1.83 2.18 0.00 0.00 -4.36 -1.26 -5.36 121.20 110.57 1by1 s ILE 208 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 60.65 60.46 1by1 s ILE 208 Cb 0.00 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.66 1by1 s ILE 208 CO 0.00 0.00 0.00 -1.14 0.24 0.00 0.00 174.94 174.04