#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4k s SER 3 N 0.00 4.62 0.33 4.39 1.04 -1.26 -4.88 113.70 117.94 3a4k s SER 3 Ca 0.00 1.75 0.03 0.00 0.48 0.00 0.00 55.95 58.20 3a4k s SER 3 Cb 0.00 -2.48 0.61 0.00 0.10 0.00 0.00 66.02 64.25 3a4k s SER 3 CO 0.00 -1.95 1.94 0.00 0.98 0.00 0.00 173.24 174.21 3a4k h ALA 4 N -1.07 1.58 0.04 5.32 0.00 -1.96 -1.64 119.26 121.53 3a4k h ALA 4 Ca -0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a4k h ALA 4 Cb 1.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3a4k h ALA 4 CO 0.53 0.31 -0.02 1.25 0.00 0.00 0.00 179.25 181.32 3a4k h LEU 5 N 0.92 -0.05 -0.75 0.00 5.85 -1.91 -0.61 115.31 118.76 3a4k h LEU 5 Ca 0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3a4k h LEU 5 Cb 0.17 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3a4k h LEU 5 CO -0.11 -0.03 0.44 -0.33 -0.34 0.00 0.00 178.44 178.06 3a4k h GLU 6 N -0.05 1.03 -0.71 1.25 5.08 -1.83 0.23 114.58 119.57 3a4k h GLU 6 Ca -0.00 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3a4k h GLU 6 Cb 0.04 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.02 3a4k h GLU 6 CO 0.01 0.74 0.41 0.87 -1.00 0.00 0.00 179.01 180.04 3a4k h LYS 7 N 1.03 0.74 0.03 2.33 1.57 -1.21 0.13 116.57 121.19 3a4k h LYS 7 Ca 0.27 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3a4k h LYS 7 Cb -0.01 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3a4k h LYS 7 CO -0.05 0.49 -0.02 1.25 -0.57 0.00 0.00 179.45 180.56 3a4k h LEU 8 N 0.76 -0.04 -1.09 2.94 5.85 -0.57 0.22 115.31 123.39 3a4k h LEU 8 Ca 0.32 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3a4k h LEU 8 Cb 0.17 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3a4k h LEU 8 CO -0.17 0.09 0.12 -0.07 -0.34 0.00 0.00 178.44 178.07 3a4k h LEU 9 N -0.17 0.71 0.14 2.25 3.38 -0.78 0.45 115.31 121.29 3a4k h LEU 9 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3a4k h LEU 9 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3a4k h LEU 9 CO 0.01 0.70 -0.07 0.28 0.09 0.00 0.00 178.44 179.45 3a4k h SER 10 N 0.74 -0.16 -0.50 -0.43 0.02 -0.51 -1.51 113.55 111.19 3a4k h SER 10 Ca 0.16 -0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3a4k h SER 10 Cb 0.28 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 3a4k h SER 10 CO -0.00 -0.07 0.06 0.25 -1.14 0.00 0.00 176.83 175.93 3a4k h LEU 11 N -0.25 -0.10 -0.08 5.07 5.85 -0.13 -1.01 115.31 124.66 3a4k h LEU 11 Ca -0.02 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3a4k h LEU 11 Cb 0.20 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3a4k h LEU 11 CO 0.03 -0.02 0.01 0.40 -0.34 0.00 0.00 178.44 178.52 3a4k h ILE 12 N 0.18 0.95 0.00 4.05 2.04 -0.83 -1.10 117.51 122.80 3a4k h ILE 12 Ca 0.26 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 3a4k h ILE 12 Cb 0.37 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3a4k h ILE 12 CO -0.37 0.01 -0.06 -0.08 0.00 0.00 0.00 178.15 177.65 3a4k h GLU 13 N 0.04 0.00 -0.01 2.37 4.81 -0.92 -1.76 114.58 119.11 3a4k h GLU 13 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3a4k h GLU 13 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3a4k h GLU 13 CO -0.06 0.06 -0.10 0.09 -0.73 0.00 0.00 179.01 178.27 3a4k n ASN 14 N -3.34 1.53 -1.77 1.04 3.02 -0.41 -4.07 115.26 111.25 3a4k n ASN 14 Ca -0.01 -1.37 0.02 0.00 -0.03 0.00 0.00 54.58 53.19 3a4k n ASN 14 Cb 0.22 0.06 0.33 0.00 -0.61 0.00 0.00 39.78 39.78 3a4k n ASN 14 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3a4k n LEU 15 N 0.03 5.31 0.11 3.41 4.77 -0.49 -4.55 117.00 125.60 3a4k n LEU 15 Ca 0.16 -2.72 0.12 0.00 -0.03 0.00 0.00 56.01 53.54 3a4k n LEU 15 Cb 0.38 -0.68 0.09 0.00 -2.33 0.00 0.00 43.42 40.88 3a4k n LEU 15 CO 0.20 0.63 0.28 0.71 -1.33 0.00 0.00 177.39 177.88 3a4k h THR 16 N 3.14 0.00 0.00 -5.08 1.35 -1.71 -3.14 112.91 107.47 3a4k h THR 16 Ca 0.08 -0.84 -0.18 0.00 -0.55 0.00 0.00 66.41 64.92 3a4k h THR 16 Cb 1.92 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 69.77 3a4k h THR 16 CO 0.51 0.00 -0.86 0.78 -0.25 0.00 0.00 175.52 175.70 3a4k h ASN 17 N 0.00 0.02 -4.19 5.36 2.35 -1.91 -3.48 115.58 113.73 3a4k h ASN 17 Ca 0.00 -0.02 -0.52 0.00 -0.55 0.00 0.00 56.30 55.22 3a4k h ASN 17 Cb 0.92 -0.01 0.12 0.00 0.05 0.00 0.00 38.32 39.40 3a4k h ASN 17 CO 0.00 0.87 0.38 -1.10 -1.65 0.00 0.00 177.43 175.93 3a4k s GLN 18 N -3.06 2.59 0.34 0.81 -1.52 -1.19 -5.04 119.66 112.59 3a4k s GLN 18 Ca -0.00 1.53 -0.26 0.00 -1.95 0.00 0.00 55.36 54.68 3a4k s GLN 18 Cb 0.11 -1.91 -0.10 0.00 -0.22 0.00 0.00 33.01 30.89 3a4k s GLN 18 CO 0.80 -1.44 0.98 -1.21 -0.25 0.00 0.00 175.29 174.18 3a4k s GLU 19 N -3.99 4.47 0.33 2.91 8.01 -1.26 -4.84 118.70 124.32 3a4k s GLU 19 Ca 0.70 1.40 0.09 0.00 0.01 0.00 0.00 54.97 57.16 3a4k s GLU 19 Cb -0.24 -2.74 0.82 0.00 -4.31 0.00 0.00 34.13 27.67 3a4k s GLU 19 CO 0.42 0.16 1.78 0.35 0.01 0.00 0.00 175.26 177.99 3a4k h PHE 20 N 3.00 0.97 -0.73 1.61 3.57 -1.96 -0.02 116.94 123.38 3a4k h PHE 20 Ca -0.47 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 3a4k h PHE 20 Cb 1.20 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3a4k h PHE 20 CO 0.60 0.20 0.22 0.87 -2.23 0.00 0.00 178.31 177.98 3a4k h LYS 21 N 0.68 1.14 -0.02 1.11 1.79 -2.00 -1.10 116.57 118.18 3a4k h LYS 21 Ca 0.57 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 3a4k h LYS 21 Cb 1.00 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 3a4k h LYS 21 CO -0.35 0.98 -0.04 0.37 -1.08 0.00 0.00 179.45 179.32 3a4k h GLN 22 N 1.09 0.06 -0.93 3.15 4.15 -1.45 -2.74 115.11 118.45 3a4k h GLN 22 Ca 0.24 -0.04 0.24 0.00 0.77 0.00 0.00 58.65 59.86 3a4k h GLN 22 Cb 0.32 0.01 -0.17 0.00 0.21 0.00 0.00 27.48 27.85 3a4k h GLN 22 CO -0.01 0.63 0.03 0.00 -1.93 0.00 0.00 178.83 177.55 3a4k h ALA 23 N 0.43 1.08 -0.64 3.38 0.00 -1.17 -1.58 119.26 120.76 3a4k h ALA 23 Ca 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3a4k h ALA 23 Cb 0.62 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3a4k h ALA 23 CO 0.01 -0.52 0.09 1.15 0.00 0.00 0.00 179.25 179.98 3a4k h THR 24 N 0.05 1.26 -0.69 0.00 2.02 -1.11 -1.65 112.91 112.79 3a4k h THR 24 Ca 0.55 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 3a4k h THR 24 Cb 1.09 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3a4k h THR 24 CO -0.85 0.39 0.27 0.78 0.37 0.00 0.00 175.52 176.48 3a4k h ASN 25 N 0.99 0.96 -0.29 4.18 2.35 -1.02 0.13 115.58 122.88 3a4k h ASN 25 Ca 0.19 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3a4k h ASN 25 Cb 0.44 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3a4k h ASN 25 CO 0.01 0.87 0.15 0.28 -1.65 0.00 0.00 177.43 177.10 3a4k h SER 26 N 0.99 0.22 -0.63 5.81 0.02 -1.06 0.40 113.55 119.30 3a4k h SER 26 Ca 0.23 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3a4k h SER 26 Cb 0.22 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3a4k h SER 26 CO -0.02 0.17 0.34 -0.07 -1.14 0.00 0.00 176.83 176.11 3a4k h LEU 27 N 0.31 0.79 -0.43 5.07 3.38 -0.87 0.22 115.31 123.77 3a4k h LEU 27 Ca 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3a4k h LEU 27 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3a4k h LEU 27 CO -0.08 0.67 0.27 0.40 0.09 0.00 0.00 178.44 179.79 3a4k h ILE 28 N 0.86 1.09 0.40 1.22 2.04 -0.49 0.16 117.51 122.79 3a4k h ILE 28 Ca 0.22 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3a4k h ILE 28 Cb 0.06 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3a4k h ILE 28 CO -0.03 0.10 -0.19 -1.28 0.00 0.00 0.00 178.15 176.74 3a4k h SER 29 N 0.55 -0.46 -0.31 1.72 0.87 -0.18 0.95 113.55 116.69 3a4k h SER 29 Ca 0.16 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 3a4k h SER 29 Cb -0.04 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 61.96 3a4k h SER 29 CO -0.05 -0.31 -0.30 0.15 -0.53 0.00 0.00 176.83 175.79 3a4k h PHE 30 N -0.56 -0.82 -0.30 2.24 3.57 -0.46 -3.06 116.94 117.55 3a4k h PHE 30 Ca -0.05 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 3a4k h PHE 30 Cb 0.43 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 3a4k h PHE 30 CO -0.04 -0.37 -0.07 0.82 -2.23 0.00 0.00 178.31 176.42 3a4k h ILE 31 N -0.27 1.28 0.00 1.41 2.04 -0.42 -3.20 117.51 118.34 3a4k h ILE 31 Ca 0.15 -1.10 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 3a4k h ILE 31 Cb 0.52 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3a4k h ILE 31 CO -0.46 0.35 -0.20 1.88 0.00 0.00 0.00 178.15 179.72 3a4k h TYR 32 N 0.34 0.00 0.00 1.37 -1.99 -0.79 -2.62 116.97 113.27 3a4k h TYR 32 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3a4k h TYR 32 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 3a4k h TYR 32 CO 0.05 0.20 -0.12 1.63 -0.00 0.00 0.00 178.16 179.92 3a4k n LYS 33 N -3.54 0.04 -2.05 4.88 5.02 -1.16 -4.90 118.16 116.44 3a4k n LYS 33 Ca -0.01 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 3a4k n LYS 33 Cb 0.35 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3a4k n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a4k s LEU 34 N -3.20 3.77 0.91 -0.35 1.43 -0.99 -5.02 118.68 115.23 3a4k s LEU 34 Ca 0.13 2.40 -0.14 0.00 -1.03 0.00 0.00 54.13 55.49 3a4k s LEU 34 Cb 0.18 -4.49 0.15 0.00 0.03 0.00 0.00 46.19 42.06 3a4k s LEU 34 CO 0.58 -1.42 1.22 0.54 0.23 0.00 0.00 176.35 177.50 3a4k s ASN 35 N -1.48 3.56 0.25 2.29 2.20 -1.26 -4.77 114.94 115.73 3a4k s ASN 35 Ca 0.74 0.61 -0.06 0.00 -0.94 0.00 0.00 52.86 53.21 3a4k s ASN 35 Cb -0.31 -0.92 0.30 0.00 -2.00 0.00 0.00 41.25 38.31 3a4k s ASN 35 CO 0.35 -2.48 1.89 -0.09 -2.94 0.00 0.00 177.10 173.83 3a4k h ARG 36 N -1.46 1.15 -0.67 3.55 2.43 -1.99 -0.45 114.38 116.93 3a4k h ARG 36 Ca -0.46 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 3a4k h ARG 36 Cb 1.29 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 3a4k h ARG 36 CO 0.53 0.76 0.29 -0.91 -1.51 0.00 0.00 179.97 179.12 3a4k h ASN 37 N 1.18 0.89 -0.03 -3.80 -0.26 -1.99 0.12 115.58 111.68 3a4k h ASN 37 Ca 0.37 -0.11 -0.21 0.00 -0.56 0.00 0.00 56.30 55.79 3a4k h ASN 37 Cb -0.00 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 37.04 3a4k h ASN 37 CO -0.12 0.77 -0.77 -0.33 -1.06 0.00 0.00 177.43 175.93 3a4k h GLU 38 N 0.96 0.69 -0.22 0.81 5.08 -1.68 -1.77 114.58 118.45 3a4k h GLU 38 Ca 0.23 -0.56 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 3a4k h GLU 38 Cb 0.15 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3a4k h GLU 38 CO -0.02 1.18 -0.08 0.28 -1.00 0.00 0.00 179.01 179.37 3a4k h VAL 39 N 0.47 0.73 -0.47 3.13 2.07 -0.93 -1.62 116.25 119.62 3a4k h VAL 39 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3a4k h VAL 39 Cb 1.38 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3a4k h VAL 39 CO 0.15 0.00 0.21 0.40 0.02 0.00 0.00 177.57 178.36 3a4k h ILE 40 N -0.04 0.92 -0.66 4.57 2.04 -0.90 -0.33 117.51 123.11 3a4k h ILE 40 Ca 0.11 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.88 3a4k h ILE 40 Cb 0.20 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 3a4k h ILE 40 CO -0.24 0.08 0.36 -0.33 0.00 0.00 0.00 178.15 178.02 3a4k h GLU 41 N 0.42 0.65 -0.13 2.37 5.08 -1.14 -0.73 114.58 121.11 3a4k h GLU 41 Ca 0.21 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 3a4k h GLU 41 Cb 0.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3a4k h GLU 41 CO -0.18 0.43 -0.46 1.25 -1.00 0.00 0.00 179.01 179.05 3a4k h LEU 42 N 0.67 0.33 -0.72 1.33 5.85 -0.75 -1.34 115.31 120.68 3a4k h LEU 42 Ca 0.30 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3a4k h LEU 42 Cb 0.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3a4k h LEU 42 CO -0.19 0.75 0.05 0.58 -0.34 0.00 0.00 178.44 179.30 3a4k h VAL 43 N 0.25 1.26 0.00 1.05 2.07 -0.31 0.11 116.25 120.68 3a4k h VAL 43 Ca 0.02 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 3a4k h VAL 43 Cb 0.91 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3a4k h VAL 43 CO 0.08 0.39 -0.21 0.03 0.02 0.00 0.00 177.57 177.88 3a4k h ARG 44 N 0.96 0.00 0.00 1.57 3.08 -0.97 -3.33 114.38 115.69 3a4k h ARG 44 Ca 0.18 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.98 3a4k h ARG 44 Cb 0.48 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 3a4k h ARG 44 CO 0.02 0.21 -1.91 0.43 -1.07 0.00 0.00 179.97 177.65 3a4k n SER 45 N -3.49 0.44 0.16 7.04 7.64 -0.52 -4.56 113.62 120.32 3a4k n SER 45 Ca -0.01 0.20 0.13 0.00 1.01 0.00 0.00 58.87 60.20 3a4k n SER 45 Cb 0.38 0.64 0.31 0.00 -1.01 0.00 0.00 64.21 64.53 3a4k n SER 45 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3a4k h ILE 46 N 0.00 0.00 0.00 0.44 6.09 -0.92 -2.78 117.51 120.33 3a4k h ILE 46 Ca -0.32 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 3a4k h ILE 46 Cb 1.86 1.70 0.00 0.00 0.47 0.00 0.00 36.82 40.85 3a4k h ILE 46 CO 0.04 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.73 3a4k n GLY 47 N 1.17 -1.27 3.22 8.18 0.00 -1.26 -4.59 105.19 110.64 3a4k n GLY 47 Ca 0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3a4k n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a4k s ILE 48 N -3.10 3.09 0.30 -0.61 1.01 -1.05 -1.86 121.20 118.98 3a4k s ILE 48 Ca 0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 3a4k s ILE 48 Cb 0.12 -2.59 -0.10 0.00 0.01 0.00 0.00 42.46 39.90 3a4k s ILE 48 CO 0.40 0.15 1.20 -0.76 0.00 0.00 0.00 174.94 175.93 3a4k s LEU 49 N 1.35 4.49 0.30 2.97 1.43 -0.84 -4.92 118.68 123.46 3a4k s LEU 49 Ca 0.00 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.29 3a4k s LEU 49 Cb -0.17 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.31 3a4k s LEU 49 CO -0.03 -0.34 1.32 -2.84 0.23 0.00 0.00 176.35 174.69 3a4k s PRO 50 N -1.59 4.36 0.51 1.29 0.02 -1.26 -4.38 135.00 133.94 3a4k s PRO 50 Ca 0.47 2.20 0.21 0.00 0.02 0.00 0.00 61.00 63.89 3a4k s PRO 50 Cb -0.36 -3.09 1.29 0.00 0.02 0.00 0.00 34.50 32.36 3a4k s PRO 50 CO 0.47 -0.21 2.03 0.93 -0.33 0.00 0.00 177.00 179.89 3a4k h GLU 51 N 3.83 0.08 0.00 5.54 4.39 -1.94 -2.78 114.58 123.69 3a4k h GLU 51 Ca -0.48 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3a4k h GLU 51 Cb 1.22 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3a4k h GLU 51 CO 0.68 0.05 0.00 0.00 -1.16 0.00 0.00 179.01 178.58 3a4k h ALA 52 N 1.80 1.00 -2.30 3.43 0.00 -1.92 -3.42 119.26 117.85 3a4k h ALA 52 Ca 0.19 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.55 3a4k h ALA 52 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3a4k h ALA 52 CO -0.02 0.00 0.58 0.42 0.00 0.00 0.00 179.25 180.24 3a4k s ILE 53 N -3.49 4.63 0.10 0.00 1.01 -1.05 -5.00 121.20 117.38 3a4k s ILE 53 Ca 0.03 1.90 -0.31 0.00 0.00 0.00 0.00 60.65 62.28 3a4k s ILE 53 Cb 0.08 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 3a4k s ILE 53 CO 0.58 0.02 1.38 -0.75 0.00 0.00 0.00 174.94 176.17 3a4k s LYS 54 N 1.93 4.32 0.32 2.79 2.20 -1.26 -4.92 119.74 125.12 3a4k s LYS 54 Ca 0.51 2.04 -0.28 0.00 -0.36 0.00 0.00 55.97 57.88 3a4k s LYS 54 Cb -0.21 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.68 3a4k s LYS 54 CO 0.20 -0.45 1.19 -2.30 -0.36 0.00 0.00 175.35 173.64 3a4k n PRO 55 N 4.16 1.84 -0.87 4.03 -0.02 -1.26 -2.11 135.00 140.77 3a4k n PRO 55 Ca 0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3a4k n PRO 55 Cb 0.43 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3a4k n PRO 55 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3a4k n SER 56 N 0.96 -1.28 -4.79 2.55 7.64 -1.26 -5.03 113.62 112.41 3a4k n SER 56 Ca 0.07 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.65 3a4k n SER 56 Cb 0.34 -1.15 0.11 0.00 -1.01 0.00 0.00 64.21 62.51 3a4k n SER 56 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3a4k s SER 57 N -2.43 4.00 0.25 6.43 1.04 -0.90 -4.93 113.70 117.16 3a4k s SER 57 Ca 0.00 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 57.57 3a4k s SER 57 Cb 0.00 -1.84 0.40 0.00 0.10 0.00 0.00 66.02 64.69 3a4k s SER 57 CO 0.00 -2.27 1.84 0.74 0.98 0.00 0.00 173.24 174.54 3a4k h THR 58 N -1.30 0.99 -0.88 2.02 2.02 -1.96 -2.31 112.91 111.49 3a4k h THR 58 Ca -0.49 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3a4k h THR 58 Cb 1.30 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3a4k h THR 58 CO 0.60 0.18 0.57 1.56 0.37 0.00 0.00 175.52 178.80 3a4k h GLN 59 N 0.96 1.18 -0.53 6.66 4.20 -1.93 0.31 115.11 125.96 3a4k h GLN 59 Ca 0.41 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 59.06 3a4k h GLN 59 Cb 0.28 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3a4k h GLN 59 CO -0.21 0.79 0.34 1.49 -0.67 0.00 0.00 178.83 180.57 3a4k h GLU 60 N 1.20 0.66 -0.52 1.46 4.81 -1.72 0.22 114.58 120.69 3a4k h GLU 60 Ca 0.32 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3a4k h GLU 60 Cb -0.11 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 3a4k h GLU 60 CO -0.07 0.44 0.09 0.87 -0.73 0.00 0.00 179.01 179.61 3a4k h LYS 61 N 0.68 0.82 -0.41 1.92 1.57 -0.75 0.13 116.57 120.53 3a4k h LYS 61 Ca 0.20 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3a4k h LYS 61 Cb -0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3a4k h LYS 61 CO -0.07 0.77 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.44 3a4k h LEU 62 N 0.78 0.78 -0.67 2.94 3.38 -0.21 0.24 115.31 122.55 3a4k h LEU 62 Ca 0.17 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3a4k h LEU 62 Cb 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3a4k h LEU 62 CO 0.01 0.94 0.33 0.15 0.09 0.00 0.00 178.44 179.96 3a4k h PHE 63 N 0.59 0.96 0.17 1.13 3.57 -0.05 0.23 116.94 123.55 3a4k h PHE 63 Ca 0.11 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3a4k h PHE 63 Cb 0.59 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3a4k h PHE 63 CO 0.05 0.71 -0.08 1.03 -2.23 0.00 0.00 178.31 177.79 3a4k h SER 64 N 0.93 -0.19 -0.69 0.41 0.87 -0.68 -2.38 113.55 111.82 3a4k h SER 64 Ca 0.23 -0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.93 3a4k h SER 64 Cb 0.10 0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 62.01 3a4k h SER 64 CO -0.03 -0.12 0.12 0.50 -0.53 0.00 0.00 176.83 176.77 3a4k h LYS 65 N -0.24 0.21 -0.86 2.24 1.63 -0.34 0.19 116.57 119.40 3a4k h LYS 65 Ca -0.02 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.89 3a4k h LYS 65 Cb 0.19 -0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.70 3a4k h LYS 65 CO 0.04 0.14 0.56 0.00 -3.45 0.00 0.00 179.45 176.74 3a4k h ALA 66 N 1.59 1.81 -0.07 5.00 0.00 -0.73 -1.14 119.26 125.72 3a4k h ALA 66 Ca 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3a4k h ALA 66 Cb 0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3a4k h ALA 66 CO -0.51 -0.03 0.03 0.78 0.00 0.00 0.00 179.25 179.51 3a4k h GLY 67 N 0.70 0.12 0.03 0.00 0.00 -0.14 0.20 103.07 103.98 3a4k h GLY 67 Ca 0.42 -0.07 0.12 0.00 0.00 0.00 0.00 47.33 47.81 3a4k h GLY 67 CO -0.18 0.06 0.06 -0.55 0.00 0.00 0.00 176.54 175.93 3a4k h ASP 68 N -0.06 -0.16 -0.20 0.19 3.32 -0.44 -0.58 116.42 118.49 3a4k h ASP 68 Ca 0.02 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3a4k h ASP 68 Cb 0.19 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3a4k h ASP 68 CO -0.00 -0.07 -0.03 0.40 -1.72 0.00 0.00 179.24 177.82 3a4k h ILE 69 N 0.17 1.28 -0.79 0.35 2.04 -1.10 -1.22 117.51 118.23 3a4k h ILE 69 Ca 0.32 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.25 3a4k h ILE 69 Cb 0.52 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 3a4k h ILE 69 CO -0.48 0.30 0.48 0.58 0.00 0.00 0.00 178.15 179.03 3a4k h VAL 70 N 0.12 1.04 -0.33 1.67 2.07 -0.76 0.14 116.25 120.19 3a4k h VAL 70 Ca 0.05 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3a4k h VAL 70 Cb 0.47 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 3a4k h VAL 70 CO 0.02 0.16 0.21 0.25 0.02 0.00 0.00 177.57 178.23 3a4k h LEU 71 N 0.90 0.39 -0.31 2.57 5.85 -0.89 0.28 115.31 124.11 3a4k h LEU 71 Ca 0.34 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 3a4k h LEU 71 Cb 0.15 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3a4k h LEU 71 CO -0.16 0.31 0.16 0.00 -0.34 0.00 0.00 178.44 178.41 3a4k h ALA 72 N 1.10 0.39 -0.74 1.25 0.00 -0.98 -0.87 119.26 119.41 3a4k h ALA 72 Ca 0.12 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3a4k h ALA 72 Cb -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3a4k h ALA 72 CO -0.02 -0.06 0.45 -0.22 0.00 0.00 0.00 179.25 179.39 3a4k h LYS 73 N 0.37 0.83 -0.97 0.00 1.63 -0.46 -2.05 116.57 115.92 3a4k h LYS 73 Ca 0.11 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3a4k h LYS 73 Cb 0.09 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 3a4k h LYS 73 CO -0.02 0.55 0.64 0.00 -3.45 0.00 0.00 179.45 177.17 3a4k h ALA 74 N 1.34 1.27 -0.66 5.00 0.00 -0.08 -1.87 119.26 124.25 3a4k h ALA 74 Ca 0.31 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3a4k h ALA 74 Cb 0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3a4k h ALA 74 CO -0.15 0.57 0.13 0.74 0.00 0.00 0.00 179.25 180.55 3a4k h PHE 75 N 1.27 1.14 -0.34 0.00 0.04 -0.60 -2.10 116.94 116.35 3a4k h PHE 75 Ca 0.37 -0.15 0.05 0.00 2.80 0.00 0.00 57.97 61.05 3a4k h PHE 75 Cb -0.07 -0.32 -0.05 0.00 2.20 0.00 0.00 35.95 37.72 3a4k h PHE 75 CO -0.00 0.95 0.06 1.96 -0.60 0.00 0.00 178.31 180.68 3a4k h GLN 76 N 1.00 0.17 0.00 1.51 4.20 -1.03 -1.47 115.11 119.49 3a4k h GLN 76 Ca 0.20 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3a4k h GLN 76 Cb 0.41 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3a4k h GLN 76 CO 0.01 0.11 0.00 -0.07 -0.67 0.00 0.00 178.83 178.21 3a4k h LEU 77 N 0.18 0.00 -0.88 1.46 3.38 -1.07 0.49 115.31 118.86 3a4k h LEU 77 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3a4k h LEU 77 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3a4k h LEU 77 CO -0.22 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.49 3a4k n LEU 78 N -2.73 1.37 -1.60 1.67 4.77 -0.65 -4.79 117.00 115.04 3a4k n LEU 78 Ca -0.02 -0.48 -0.08 0.00 -0.03 0.00 0.00 56.01 55.40 3a4k n LEU 78 Cb 0.07 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3a4k n LEU 78 CO 0.16 0.24 0.08 -3.20 -1.33 0.00 0.00 177.39 173.35 3a4k n ASN 79 N 0.08 -3.44 -4.62 -1.43 5.15 0.17 -0.84 115.26 110.32 3a4k n ASN 79 Ca 0.19 -0.19 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 3a4k n ASN 79 Cb 0.32 -2.09 -0.08 0.00 -0.53 0.00 0.00 39.78 37.41 3a4k n ASN 79 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3a4k s LEU 80 N -3.22 3.10 -0.11 1.20 1.02 -0.65 -4.33 118.68 115.69 3a4k s LEU 80 Ca 0.19 -0.70 -0.25 0.00 0.02 0.00 0.00 54.13 53.40 3a4k s LEU 80 Cb -0.08 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 3a4k s LEU 80 CO 0.25 0.01 0.78 0.20 0.02 0.00 0.00 176.35 177.61 3a4k s ASN 81 N -3.61 7.00 -0.08 2.29 0.02 -0.36 -3.66 114.94 116.54 3a4k s ASN 81 Ca 0.31 1.21 -0.13 0.00 -1.02 0.00 0.00 52.86 53.23 3a4k s ASN 81 Cb -0.06 -2.44 0.03 0.00 0.02 0.00 0.00 41.25 38.79 3a4k s ASN 81 CO 0.19 -0.25 0.32 -0.55 0.02 0.00 0.00 177.10 176.83 3a4k s SER 82 N 0.99 -0.28 0.07 -1.22 0.15 -1.26 0.57 113.70 112.73 3a4k s SER 82 Ca 0.39 0.41 -0.13 0.00 0.70 0.00 0.00 55.95 57.33 3a4k s SER 82 Cb -0.17 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3a4k s SER 82 CO 0.16 -0.26 0.29 -1.59 1.20 0.00 0.00 173.24 173.04 3a4k s LYS 83 N -0.48 0.86 0.50 5.44 -2.85 -0.43 -4.85 119.74 117.94 3a4k s LYS 83 Ca -0.06 -0.68 -0.21 0.00 -1.00 0.00 0.00 55.97 54.03 3a4k s LYS 83 Cb -0.04 0.37 -0.07 0.00 -2.06 0.00 0.00 37.83 36.03 3a4k s LYS 83 CO 0.02 -0.29 1.10 -1.25 0.10 0.00 0.00 175.35 175.03 3a4k s PRO 84 N -3.16 3.62 0.16 1.78 0.04 -1.26 -1.69 135.00 134.49 3a4k s PRO 84 Ca -0.01 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.46 3a4k s PRO 84 Cb 0.01 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3a4k s PRO 84 CO -0.07 -0.62 0.54 -0.51 0.04 0.00 0.00 177.00 176.37 3a4k s LEU 85 N -3.49 4.29 0.09 -3.56 1.43 -0.00 -4.87 118.68 112.58 3a4k s LEU 85 Ca 0.69 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 3a4k s LEU 85 Cb -0.22 -3.36 -0.19 0.00 0.03 0.00 0.00 46.19 42.45 3a4k s LEU 85 CO 0.26 0.06 1.23 -0.08 0.23 0.00 0.00 176.35 178.05 3a4k h GLU 86 N 3.30 0.64 -6.29 1.70 4.57 -1.94 -3.46 114.58 113.10 3a4k h GLU 86 Ca -0.48 -0.67 -0.66 0.00 -1.18 0.00 0.00 59.36 56.37 3a4k h GLU 86 Cb 1.19 0.19 0.08 0.00 -0.16 0.00 0.00 28.75 30.05 3a4k h GLU 86 CO 0.67 1.27 0.16 1.04 -1.18 0.00 0.00 179.01 180.96 3a4k n GLN 87 N -3.83 0.98 0.00 1.92 3.00 -1.26 -4.97 117.38 113.22 3a4k n GLN 87 Ca -0.10 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 3a4k n GLN 87 Cb 0.86 -1.78 0.00 0.00 0.00 0.00 0.00 30.24 29.32 3a4k n GLN 87 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 3a4k n ARG 88 N 1.56 0.00 -1.43 -1.09 0.63 -1.26 -4.89 116.66 110.18 3a4k n ARG 88 Ca 0.15 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.73 3a4k n ARG 88 Cb 0.24 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.25 3a4k n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3a4k n GLY 89 N 2.89 0.27 4.14 5.14 0.00 -1.26 -3.65 105.19 112.73 3a4k n GLY 89 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3a4k n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a4k n ASN 90 N -2.55 -2.98 -3.50 1.61 2.85 -1.26 -4.92 115.26 104.50 3a4k n ASN 90 Ca 0.15 -0.98 -0.11 0.00 -0.11 0.00 0.00 54.58 53.53 3a4k n ASN 90 Cb 0.49 -2.94 -0.03 0.00 1.24 0.00 0.00 39.78 38.54 3a4k n ASN 90 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3a4k s ALA 91 N -3.41 -1.79 0.85 5.20 0.00 -1.24 -4.93 121.76 116.43 3a4k s ALA 91 Ca 0.61 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3a4k s ALA 91 Cb -0.33 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3a4k s ALA 91 CO 0.91 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.49 3a4k n GLY 92 N 0.07 -0.55 0.03 0.00 0.00 -1.26 -4.92 105.19 98.56 3a4k n GLY 92 Ca -0.12 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 3a4k n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a4k n ASP 93 N -1.93 2.75 -3.78 1.61 8.00 -0.07 -4.82 116.55 118.31 3a4k n ASP 93 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3a4k n ASP 93 Cb 0.00 0.96 -0.12 0.00 -0.02 0.00 0.00 41.12 41.94 3a4k n ASP 93 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a4k s VAL 94 N -2.37 -0.01 0.07 2.53 1.01 -0.88 -0.82 120.40 119.93 3a4k s VAL 94 Ca -0.04 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3a4k s VAL 94 Cb 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3a4k s VAL 94 CO 0.39 0.02 -0.11 0.27 0.00 0.00 0.00 175.10 175.67 3a4k s ILE 95 N 0.45 3.34 0.01 2.22 -4.36 -0.68 0.07 121.20 122.25 3a4k s ILE 95 Ca -0.03 -1.14 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 3a4k s ILE 95 Cb -0.04 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 3a4k s ILE 95 CO -0.02 0.22 -0.03 0.00 0.24 0.00 0.00 174.94 175.35 3a4k s ALA 96 N -1.11 0.14 -0.04 2.27 0.00 -0.70 -1.31 121.76 121.02 3a4k s ALA 96 Ca 0.19 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.78 3a4k s ALA 96 Cb -0.11 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3a4k s ALA 96 CO 0.11 -0.08 -0.10 -0.51 0.00 0.00 0.00 175.76 175.18 3a4k s LEU 97 N -0.92 1.73 0.36 0.00 1.43 0.19 -0.54 118.68 120.94 3a4k s LEU 97 Ca -0.09 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 3a4k s LEU 97 Cb -0.06 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 45.42 3a4k s LEU 97 CO -0.00 0.06 1.46 -0.55 0.23 0.00 0.00 176.35 177.54 3a4k s SER 98 N 0.33 6.41 -0.13 2.29 0.15 0.62 -1.22 113.70 122.16 3a4k s SER 98 Ca -0.06 2.99 -0.22 0.00 0.70 0.00 0.00 55.95 59.36 3a4k s SER 98 Cb -0.11 -2.66 -0.25 0.00 -1.71 0.00 0.00 66.02 61.28 3a4k s SER 98 CO 0.01 -0.82 0.58 0.11 1.20 0.00 0.00 173.24 174.32 3a4k h LYS 99 N 3.17 0.12 0.00 5.44 1.57 -1.90 -3.41 116.57 121.55 3a4k h LYS 99 Ca -0.50 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 57.92 3a4k h LYS 99 Cb 1.24 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 3a4k h LYS 99 CO 0.65 1.10 -1.28 0.93 -0.57 0.00 0.00 179.45 180.28 3a4k h GLU 100 N -0.68 0.00 0.00 3.15 4.39 -1.91 -3.48 114.58 116.06 3a4k h GLU 100 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 3a4k h GLU 100 Cb 1.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3a4k h GLU 100 CO -0.01 0.28 0.00 1.19 -1.16 0.00 0.00 179.01 179.31 3a4k n PHE 101 N -2.90 0.00 -3.35 4.33 3.72 -1.26 -4.94 117.46 113.05 3a4k n PHE 101 Ca -0.08 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.06 3a4k n PHE 101 Cb 0.80 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.27 3a4k n PHE 101 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3a4k n ASN 102 N -0.92 3.71 -3.88 4.37 4.05 -1.26 -4.65 115.26 116.68 3a4k n ASN 102 Ca 0.00 -3.45 -0.09 0.00 0.45 0.00 0.00 54.58 51.49 3a4k n ASN 102 Cb 0.00 -0.66 -0.05 0.00 1.23 0.00 0.00 39.78 40.30 3a4k n ASN 102 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 3a4k s TYR 103 N -2.55 0.16 0.04 1.20 -0.85 -1.26 -5.03 117.35 109.05 3a4k s TYR 103 Ca 0.41 -0.52 -0.01 0.00 -0.52 0.00 0.00 57.07 56.43 3a4k s TYR 103 Cb 0.17 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 3a4k s TYR 103 CO -0.03 -0.90 -0.02 0.20 -1.52 0.00 0.00 175.55 173.28 3a4k s GLY 104 N -2.95 0.34 0.03 5.49 0.00 -1.26 -0.27 107.32 108.70 3a4k s GLY 104 Ca 0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 3a4k s GLY 104 CO 0.02 -0.97 -0.01 0.48 0.00 0.00 0.00 173.10 172.61 3a4k s LEU 105 N -2.20 2.23 -0.14 0.66 0.05 0.30 -1.04 118.68 118.55 3a4k s LEU 105 Ca -0.04 -0.58 -0.06 0.00 0.05 0.00 0.00 54.13 53.49 3a4k s LEU 105 Cb -0.01 0.18 -0.04 0.00 -2.05 0.00 0.00 46.19 44.27 3a4k s LEU 105 CO -0.05 -0.37 0.09 0.54 -0.55 0.00 0.00 176.35 176.00 3a4k s VAL 106 N -1.99 5.03 0.20 1.48 0.11 -0.47 -1.72 120.40 123.04 3a4k s VAL 106 Ca -0.11 0.04 0.11 0.00 -2.93 0.00 0.00 61.98 59.08 3a4k s VAL 106 Cb -0.06 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.54 3a4k s VAL 106 CO -0.03 0.56 -0.21 0.00 -3.33 0.00 0.00 175.10 172.09 3a4k s ALA 107 N -0.49 2.40 -0.12 1.54 0.00 0.11 -0.77 121.76 124.44 3a4k s ALA 107 Ca 0.11 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.42 3a4k s ALA 107 Cb -0.12 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.76 3a4k s ALA 107 CO 0.02 0.32 -0.11 0.34 0.00 0.00 0.00 175.76 176.33 3a4k s ASP 108 N -2.88 2.30 0.17 0.00 2.15 0.18 -0.89 116.67 117.70 3a4k s ASP 108 Ca 0.21 -0.37 -0.30 0.00 0.43 0.00 0.00 52.55 52.52 3a4k s ASP 108 Cb -0.06 -0.97 -0.07 0.00 -0.30 0.00 0.00 42.92 41.52 3a4k s ASP 108 CO 0.10 -0.06 1.02 0.00 -0.17 0.00 0.00 175.17 176.06 3a4k s ALA 109 N 1.39 3.32 0.00 3.66 0.00 -1.26 0.56 121.76 129.43 3a4k s ALA 109 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.67 3a4k s ALA 109 Cb -0.13 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3a4k s ALA 109 CO -0.06 -0.07 -0.01 0.21 0.00 0.00 0.00 175.76 175.82 3a4k s LYS 110 N -0.41 0.13 0.13 0.00 2.47 0.16 -4.91 119.74 117.30 3a4k s LYS 110 Ca 0.47 -0.14 0.01 0.00 -1.56 0.00 0.00 55.97 54.75 3a4k s LYS 110 Cb -0.27 -0.05 -0.04 0.00 -1.46 0.00 0.00 37.83 36.01 3a4k s LYS 110 CO 0.33 0.01 -0.01 -1.12 0.16 0.00 0.00 175.35 174.72 3a4k s SER 111 N -0.29 0.99 -0.02 1.43 0.01 -1.26 -3.92 113.70 110.64 3a4k s SER 111 Ca -0.02 -1.11 -0.14 0.00 1.31 0.00 0.00 55.95 55.98 3a4k s SER 111 Cb -0.02 0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.38 3a4k s SER 111 CO -0.00 -0.56 0.30 -0.36 0.41 0.00 0.00 173.24 173.02 3a4k s PHE 112 N -3.73 -0.18 0.48 2.43 0.08 -0.78 -4.90 117.98 111.38 3a4k s PHE 112 Ca 0.19 0.29 -0.22 0.00 0.12 0.00 0.00 56.93 57.31 3a4k s PHE 112 Cb 0.06 0.09 -0.07 0.00 -0.57 0.00 0.00 43.02 42.53 3a4k s PHE 112 CO -0.00 -0.36 1.10 1.03 -0.10 0.00 0.00 175.22 176.89 3a4k s ARG 113 N -1.20 3.73 0.59 0.44 0.52 -1.26 -1.98 118.95 119.79 3a4k s ARG 113 Ca -0.12 1.59 0.29 0.00 -0.52 0.00 0.00 55.73 56.96 3a4k s ARG 113 Cb -0.05 -2.25 1.58 0.00 0.52 0.00 0.00 34.95 34.75 3a4k s ARG 113 CO 0.04 -0.53 2.00 -0.07 0.02 0.00 0.00 175.30 176.76 3a4k h LEU 114 N 1.78 0.00 -0.14 2.53 3.38 -1.95 0.51 115.31 121.42 3a4k h LEU 114 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3a4k h LEU 114 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3a4k h LEU 114 CO 0.59 0.00 -0.14 -1.54 0.09 0.00 0.00 178.44 177.44 3a4k n SER 115 N -3.72 0.36 -4.65 -0.43 3.41 -1.26 -4.91 113.62 102.42 3a4k n SER 115 Ca 0.04 -0.30 -0.50 0.00 -0.26 0.00 0.00 58.87 57.85 3a4k n SER 115 Cb 0.48 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 3a4k n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3a4k n ARG 116 N -1.15 1.68 0.00 4.33 3.00 0.17 -4.99 116.66 119.69 3a4k n ARG 116 Ca 0.12 0.61 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 3a4k n ARG 116 Cb 0.30 -2.33 0.00 0.00 0.00 0.00 0.00 32.46 30.42 3a4k n ARG 116 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3a4k n THR 117 N 3.55 0.00 -2.05 5.15 -2.24 -1.26 -4.94 114.28 112.48 3a4k n THR 117 Ca 0.20 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.55 3a4k n THR 117 Cb 0.23 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 3a4k n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a4k s ALA 118 N -4.00 3.65 -0.79 6.98 0.00 -1.26 -4.96 121.76 121.37 3a4k s ALA 118 Ca 0.00 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.95 3a4k s ALA 118 Cb 0.00 -3.64 0.21 0.00 0.00 0.00 0.00 23.12 19.69 3a4k s ALA 118 CO 0.00 -0.97 0.71 0.15 0.00 0.00 0.00 175.76 175.65 3a4k s LYS 119 N 2.30 3.38 0.32 0.00 3.01 -1.26 -5.06 119.74 122.43 3a4k s LYS 119 Ca 0.69 -2.53 -0.27 0.00 -1.01 0.00 0.00 55.97 52.85 3a4k s LYS 119 Cb -0.37 -4.26 -0.09 0.00 -1.01 0.00 0.00 37.83 32.10 3a4k s LYS 119 CO 0.30 -1.26 1.03 -0.80 0.51 0.00 0.00 175.35 175.13 3a4k s ASN 120 N 1.71 7.16 0.43 2.83 0.01 -1.26 -4.90 114.94 120.91 3a4k s ASN 120 Ca 0.18 2.06 0.19 0.00 -0.71 0.00 0.00 52.86 54.59 3a4k s ASN 120 Cb -0.12 -2.60 1.13 0.00 0.41 0.00 0.00 41.25 40.06 3a4k s ASN 120 CO -0.08 -0.21 1.84 0.06 -1.51 0.00 0.00 177.10 177.21 3a4k h GLN 121 N 3.28 0.35 0.00 -0.60 -0.00 -2.02 0.20 115.11 116.34 3a4k h GLN 121 Ca -0.47 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.08 3a4k h GLN 121 Cb 1.21 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 28.60 3a4k h GLN 121 CO 0.65 0.23 -0.36 1.57 -0.00 0.00 0.00 178.83 180.92 3a4k h LYS 122 N 0.37 0.00 -0.10 0.06 2.10 -2.03 -2.64 116.57 114.33 3a4k h LYS 122 Ca 0.49 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 59.08 3a4k h LYS 122 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 3a4k h LYS 122 CO -0.18 0.36 -0.20 -0.44 -2.00 0.00 0.00 179.45 176.99 3a4k h ASP 123 N 0.00 0.15 0.97 7.07 3.32 -0.95 -2.53 116.42 124.45 3a4k h ASP 123 Ca -0.00 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3a4k h ASP 123 Cb 0.79 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.29 3a4k h ASP 123 CO 0.05 0.37 -0.14 -0.26 -1.72 0.00 0.00 179.24 177.54 3a4k h PHE 124 N 0.15 0.00 -6.95 4.55 0.04 -1.48 -3.48 116.94 109.77 3a4k h PHE 124 Ca 0.03 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.21 3a4k h PHE 124 Cb 0.45 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.43 3a4k h PHE 124 CO 0.00 0.14 -0.95 1.63 -0.60 0.00 0.00 178.31 178.53 3a4k n LYS 125 N -3.29 -1.44 -0.06 1.51 5.02 -0.95 -4.86 118.16 114.09 3a4k n LYS 125 Ca 0.00 0.16 -0.11 0.00 -2.02 0.00 0.00 58.31 56.34 3a4k n LYS 125 Cb 0.39 -3.76 -0.05 0.00 -0.02 0.00 0.00 35.03 31.58 3a4k n LYS 125 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a4k h VAL 126 N -1.82 1.21 -0.02 -0.18 2.07 -1.88 -1.30 116.25 114.32 3a4k h VAL 126 Ca -0.66 -0.69 -0.16 0.00 0.82 0.00 0.00 66.70 66.02 3a4k h VAL 126 Cb 1.39 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3a4k h VAL 126 CO 0.69 0.21 -0.69 0.11 0.02 0.00 0.00 177.57 177.91 3a4k h LYS 127 N 0.10 0.13 0.02 1.57 1.57 -1.89 -0.94 116.57 117.13 3a4k h LYS 127 Ca 0.06 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3a4k h LYS 127 Cb 0.29 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3a4k h LYS 127 CO 0.00 0.77 -0.01 0.00 -0.57 0.00 0.00 179.45 179.64 3a4k h ALA 128 N 1.20 -0.02 -0.80 3.86 0.00 -1.93 -2.74 119.26 118.83 3a4k h ALA 128 Ca -0.01 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.96 3a4k h ALA 128 Cb 1.23 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 3a4k h ALA 128 CO 0.10 -0.41 0.30 1.25 0.00 0.00 0.00 179.25 180.49 3a4k h LEU 129 N -0.22 0.24 -0.43 0.00 5.85 -1.07 -0.91 115.31 118.76 3a4k h LEU 129 Ca -0.00 0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.94 3a4k h LEU 129 Cb 0.21 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 3a4k h LEU 129 CO 0.00 0.05 -0.18 -1.28 -0.34 0.00 0.00 178.44 176.70 3a4k h SER 130 N 0.40 -0.61 -0.97 1.25 0.87 -1.02 -1.77 113.55 111.70 3a4k h SER 130 Ca 0.46 0.15 0.07 0.00 -1.23 0.00 0.00 61.79 61.24 3a4k h SER 130 Cb 0.76 0.35 -0.07 0.00 -0.44 0.00 0.00 62.40 63.00 3a4k h SER 130 CO -0.46 -0.21 0.62 -0.33 -0.53 0.00 0.00 176.83 175.92 3a4k h GLU 131 N -0.09 1.07 0.00 2.24 4.39 -1.06 -2.79 114.58 118.34 3a4k h GLU 131 Ca 0.21 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3a4k h GLU 131 Cb 0.41 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3a4k h GLU 131 CO -0.49 0.71 0.00 -1.49 -1.16 0.00 0.00 179.01 176.58 3a4k h TRP 132 N 1.10 0.00 0.00 4.33 6.55 -0.28 -2.60 115.95 125.04 3a4k h TRP 132 Ca 0.43 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.27 3a4k h TRP 132 Cb 0.23 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.53 3a4k h TRP 132 CO -0.01 0.00 -0.00 0.07 -1.05 0.00 0.00 178.44 177.45 3a4k h ARG 133 N 0.00 0.00 0.00 0.49 0.11 -1.32 -3.42 114.38 110.24 3a4k h ARG 133 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3a4k h ARG 133 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 3a4k h ARG 133 CO 0.00 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.46 3a4k n GLU 134 N -4.05 0.00 0.00 0.08 1.02 -0.98 -1.18 120.64 115.53 3a4k n GLU 134 Ca -0.03 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.26 3a4k n GLU 134 Cb 0.08 0.00 0.71 0.00 -0.02 0.00 0.00 31.44 32.21 3a4k n GLU 134 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3a4k n ASP 135 N 8.16 0.21 -4.80 1.62 5.75 -1.26 -4.90 116.55 121.33 3a4k n ASP 135 Ca 0.00 -0.41 -0.31 0.00 -0.01 0.00 0.00 54.79 54.06 3a4k n ASP 135 Cb 0.00 -0.16 0.05 0.00 -1.03 0.00 0.00 41.12 39.98 3a4k n ASP 135 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3a4k s LYS 136 N -2.48 2.84 -0.04 0.11 3.01 -0.32 -5.00 119.74 117.86 3a4k s LYS 136 Ca 0.30 1.09 -0.18 0.00 -1.01 0.00 0.00 55.97 56.17 3a4k s LYS 136 Cb 0.20 -1.97 -0.31 0.00 -1.01 0.00 0.00 37.83 34.74 3a4k s LYS 136 CO 0.46 -1.18 0.80 -0.44 0.51 0.00 0.00 175.35 175.50 3a4k h ASP 137 N -0.54 0.56 -1.98 2.83 3.32 -1.54 -3.47 116.42 115.60 3a4k h ASP 137 Ca -0.44 -0.92 -0.61 0.00 0.02 0.00 0.00 57.03 55.08 3a4k h ASP 137 Cb 1.22 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 3a4k h ASP 137 CO 0.55 1.58 -0.68 -0.31 -1.72 0.00 0.00 179.24 178.67 3a4k s TYR 138 N -2.50 2.42 -0.05 4.55 2.02 -0.20 -5.01 117.35 118.58 3a4k s TYR 138 Ca -0.14 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.08 3a4k s TYR 138 Cb 0.03 -1.34 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3a4k s TYR 138 CO 0.84 0.59 0.08 0.00 -1.57 0.00 0.00 175.55 175.49 3a4k s ALA 139 N -2.57 0.13 -0.20 3.71 0.00 -1.26 -1.36 121.76 120.20 3a4k s ALA 139 Ca 0.33 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 3a4k s ALA 139 Cb 0.01 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.55 3a4k s ALA 139 CO 0.17 -0.47 -0.02 0.08 0.00 0.00 0.00 175.76 175.51 3a4k s VAL 140 N 2.10 1.07 -0.32 0.00 1.01 0.05 -0.64 120.40 123.68 3a4k s VAL 140 Ca 0.03 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 3a4k s VAL 140 Cb -0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3a4k s VAL 140 CO -0.04 -0.09 0.55 -0.22 0.00 0.00 0.00 175.10 175.30 3a4k s LEU 141 N 1.62 4.20 -0.42 3.92 0.20 0.15 -0.64 118.68 127.70 3a4k s LEU 141 Ca -0.03 0.25 -0.07 0.00 0.69 0.00 0.00 54.13 54.97 3a4k s LEU 141 Cb -0.17 -2.67 0.09 0.00 -0.43 0.00 0.00 46.19 43.00 3a4k s LEU 141 CO -0.07 -0.43 0.24 -0.89 -0.29 0.00 0.00 176.35 174.91 3a4k s THR 142 N 2.45 3.90 0.29 3.68 2.01 0.19 -0.25 115.64 127.90 3a4k s THR 142 Ca 0.21 -1.64 0.02 0.00 0.31 0.00 0.00 61.69 60.59 3a4k s THR 142 Cb -0.15 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.82 3a4k s THR 142 CO 0.12 -0.58 0.08 0.00 -0.69 0.00 0.00 174.62 173.55 3a4k s ALA 143 N 1.33 2.01 -0.07 7.40 0.00 -1.12 0.37 121.76 131.68 3a4k s ALA 143 Ca 0.04 -1.95 -0.30 0.00 0.00 0.00 0.00 51.96 49.76 3a4k s ALA 143 Cb -0.23 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 3a4k s ALA 143 CO -0.00 -0.39 1.68 -2.14 0.00 0.00 0.00 175.76 174.90 3a4k s PRO 144 N -3.97 4.11 0.25 0.00 0.02 -1.25 -2.39 135.00 131.77 3a4k s PRO 144 Ca 0.37 2.16 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 3a4k s PRO 144 Cb 0.08 -4.01 0.47 0.00 0.02 0.00 0.00 34.50 31.06 3a4k s PRO 144 CO 0.15 -0.93 1.78 0.35 -0.33 0.00 0.00 177.00 178.02 3a4k h PHE 145 N 9.85 0.80 -0.00 6.54 3.57 -1.93 -1.02 116.94 134.75 3a4k h PHE 145 Ca -0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3a4k h PHE 145 Cb 1.18 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.69 3a4k h PHE 145 CO 0.89 0.25 -0.03 1.19 -2.23 0.00 0.00 178.31 178.38 3a4k n PHE 146 N -4.82 0.00 1.19 0.41 3.72 -1.26 -2.67 117.46 114.03 3a4k n PHE 146 Ca 0.15 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 3a4k n PHE 146 Cb 0.36 -0.13 0.34 0.00 -0.94 0.00 0.00 39.48 39.12 3a4k n PHE 146 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3a4k n GLN 147 N -0.94 1.96 -2.64 -1.08 1.13 -0.39 -4.95 117.38 110.47 3a4k n GLN 147 Ca 0.18 -1.41 -0.34 0.00 -1.94 0.00 0.00 57.00 53.49 3a4k n GLN 147 Cb 0.22 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 3a4k n GLN 147 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3a4k s TYR 148 N -1.92 3.16 0.32 1.08 2.02 -1.09 -4.92 117.35 116.00 3a4k s TYR 148 Ca 0.34 1.61 -0.29 0.00 -0.37 0.00 0.00 57.07 58.36 3a4k s TYR 148 Cb 0.20 -3.01 -0.12 0.00 -0.40 0.00 0.00 41.96 38.63 3a4k s TYR 148 CO 0.31 -0.54 1.37 -2.30 -1.57 0.00 0.00 175.55 172.82 3a4k n PRO 149 N -0.66 2.24 0.20 -1.71 -0.01 -1.26 -4.89 135.00 128.91 3a4k n PRO 149 Ca 0.08 0.79 0.10 0.00 -0.01 0.00 0.00 63.50 64.46 3a4k n PRO 149 Cb 0.52 -2.43 0.13 0.00 -0.01 0.00 0.00 33.50 31.72 3a4k n PRO 149 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 175.50 177.28 3a4k h THR 150 N 2.78 0.15 0.00 3.45 1.35 -1.96 -3.44 112.91 115.24 3a4k h THR 150 Ca -0.47 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 3a4k h THR 150 Cb 1.27 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 3a4k h THR 150 CO 0.67 0.08 -0.24 0.41 -0.25 0.00 0.00 175.52 176.19 3a4k n THR 151 N -3.09 0.38 -3.70 6.82 -1.04 -1.26 -4.78 114.28 107.60 3a4k n THR 151 Ca 0.03 0.13 -0.14 0.00 -2.04 0.00 0.00 64.05 62.03 3a4k n THR 151 Cb 0.57 -1.08 -0.09 0.00 -1.82 0.00 0.00 70.33 67.91 3a4k n THR 151 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3a4k s LYS 152 N -2.00 0.61 -0.22 -2.82 2.20 -1.26 -1.06 119.74 115.19 3a4k s LYS 152 Ca 0.00 0.64 -0.27 0.00 -0.36 0.00 0.00 55.97 55.98 3a4k s LYS 152 Cb 0.00 0.30 0.11 0.00 -1.51 0.00 0.00 37.83 36.73 3a4k s LYS 152 CO 0.00 -0.09 0.94 0.45 -0.36 0.00 0.00 175.35 176.30 3a4k s SER 153 N 0.13 -0.49 0.56 1.43 0.15 -0.04 -4.93 113.70 110.50 3a4k s SER 153 Ca -0.01 0.79 0.29 0.00 0.70 0.00 0.00 55.95 57.71 3a4k s SER 153 Cb -0.03 0.74 1.47 0.00 -1.71 0.00 0.00 66.02 66.48 3a4k s SER 153 CO 0.01 -0.27 1.93 1.56 1.20 0.00 0.00 173.24 177.67 3a4k h GLN 154 N 3.67 0.00 -0.10 5.44 4.20 -1.97 -2.14 115.11 124.21 3a4k h GLN 154 Ca -0.25 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 3a4k h GLN 154 Cb 1.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 3a4k h GLN 154 CO 0.19 0.00 -0.22 -0.84 -0.67 0.00 0.00 178.83 177.29 3a4k h ILE 155 N 0.00 1.21 -0.47 2.54 3.07 -1.91 -0.67 117.51 121.28 3a4k h ILE 155 Ca 0.28 -0.96 -0.09 0.00 1.55 0.00 0.00 64.86 65.64 3a4k h ILE 155 Cb 1.24 1.38 -0.02 0.00 -0.27 0.00 0.00 36.82 39.16 3a4k h ILE 155 CO -0.00 0.29 -0.06 -0.26 -1.05 0.00 0.00 178.15 177.07 3a4k h PHE 156 N 0.15 0.88 -0.11 0.16 0.04 -1.65 -1.30 116.94 115.11 3a4k h PHE 156 Ca 0.03 -0.15 -0.23 0.00 2.80 0.00 0.00 57.97 60.42 3a4k h PHE 156 Cb 0.48 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.42 3a4k h PHE 156 CO 0.01 0.84 -0.85 -0.22 -0.60 0.00 0.00 178.31 177.49 3a4k h LYS 157 N 0.74 0.77 -0.72 1.51 3.64 -1.22 -2.59 116.57 118.69 3a4k h LYS 157 Ca 0.13 -0.68 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 3a4k h LYS 157 Cb 0.54 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3a4k h LYS 157 CO 0.03 1.28 0.30 1.96 -2.27 0.00 0.00 179.45 180.75 3a4k h GLN 158 N 0.49 1.06 -0.03 1.90 4.20 -1.07 0.18 115.11 121.84 3a4k h GLN 158 Ca -0.08 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.47 3a4k h GLN 158 Cb 1.49 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 3a4k h GLN 158 CO 0.17 0.85 -0.01 1.03 -0.67 0.00 0.00 178.83 180.21 3a4k h SER 159 N 1.04 -0.04 -0.32 1.46 0.87 -1.18 0.14 113.55 115.52 3a4k h SER 159 Ca 0.24 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3a4k h SER 159 Cb 0.18 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3a4k h SER 159 CO -0.02 -0.01 0.03 -0.07 -0.53 0.00 0.00 176.83 176.22 3a4k h LEU 160 N -0.01 0.53 -0.77 2.23 3.38 -1.13 0.78 115.31 120.32 3a4k h LEU 160 Ca 0.02 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 3a4k h LEU 160 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3a4k h LEU 160 CO -0.03 0.67 -0.31 0.44 0.09 0.00 0.00 178.44 179.30 3a4k h ASP 161 N 0.36 0.60 -0.02 -0.43 3.32 -0.56 -3.21 116.42 116.47 3a4k h ASP 161 Ca 0.09 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3a4k h ASP 161 Cb 0.38 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3a4k h ASP 161 CO 0.01 0.87 -0.16 -0.62 -1.72 0.00 0.00 179.24 177.62 3a4k n GLU 162 N -4.08 1.86 -3.51 3.56 -0.58 0.03 -5.00 120.64 112.91 3a4k n GLU 162 Ca -0.01 -1.54 -0.24 0.00 -0.42 0.00 0.00 57.16 54.95 3a4k n GLU 162 Cb 0.46 -1.44 0.05 0.00 -0.57 0.00 0.00 31.44 29.93 3a4k n GLU 162 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3a4k n ASN 163 N 0.81 -5.92 -4.15 1.62 5.15 0.19 -4.93 115.26 108.03 3a4k n ASN 163 Ca 0.12 -0.85 -0.33 0.00 -0.60 0.00 0.00 54.58 52.91 3a4k n ASN 163 Cb 0.53 -4.02 -0.16 0.00 -0.53 0.00 0.00 39.78 35.60 3a4k n ASN 163 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3a4k s VAL 164 N -3.39 2.31 -0.07 3.44 1.01 -0.71 -4.35 120.40 118.64 3a4k s VAL 164 Ca 0.42 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3a4k s VAL 164 Cb -0.12 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 3a4k s VAL 164 CO 0.82 0.50 1.31 -0.22 0.00 0.00 0.00 175.10 177.50 3a4k s LEU 165 N 1.32 4.26 -0.87 3.92 2.96 0.19 -4.62 118.68 125.84 3a4k s LEU 165 Ca 0.05 1.89 -0.21 0.00 -0.22 0.00 0.00 54.13 55.64 3a4k s LEU 165 Cb -0.13 -3.55 0.09 0.00 0.50 0.00 0.00 46.19 43.10 3a4k s LEU 165 CO -0.11 -0.70 1.16 -0.76 -1.32 0.00 0.00 176.35 174.62 3a4k s LEU 166 N 2.78 4.48 0.58 -0.68 1.43 -1.26 0.29 118.68 126.30 3a4k s LEU 166 Ca 0.59 -1.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.18 3a4k s LEU 166 Cb -0.26 -2.45 0.08 0.00 0.03 0.00 0.00 46.19 43.59 3a4k s LEU 166 CO 0.22 -1.29 0.65 0.12 0.23 0.00 0.00 176.35 176.28 3a4k s PHE 167 N 3.64 1.31 0.04 0.29 5.36 0.65 -4.99 117.98 124.28 3a4k s PHE 167 Ca 0.33 -0.82 -0.16 0.00 -0.96 0.00 0.00 56.93 55.32 3a4k s PHE 167 Cb -0.07 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.58 3a4k s PHE 167 CO -0.04 -0.96 0.36 -1.54 -1.46 0.00 0.00 175.22 171.58 3a4k s SER 168 N -4.55 -0.21 0.36 6.13 1.04 -1.26 -2.81 113.70 112.42 3a4k s SER 168 Ca 0.50 -0.08 0.06 0.00 0.48 0.00 0.00 55.95 56.91 3a4k s SER 168 Cb -0.04 0.39 0.74 0.00 0.10 0.00 0.00 66.02 67.21 3a4k s SER 168 CO 0.32 -0.63 1.97 -0.50 0.98 0.00 0.00 173.24 175.38 3a4k h TRP 169 N 3.17 0.75 0.04 5.02 4.06 -1.78 -1.81 115.95 125.40 3a4k h TRP 169 Ca -0.31 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.65 3a4k h TRP 169 Cb 1.20 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 3a4k h TRP 169 CO 0.44 0.41 -0.02 0.93 -3.56 0.00 0.00 178.44 176.63 3a4k h GLU 170 N 0.75 -0.06 -0.89 0.49 3.07 -1.87 0.24 114.58 116.32 3a4k h GLU 170 Ca 0.30 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3a4k h GLU 170 Cb 0.22 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 3a4k h GLU 170 CO -0.10 0.18 0.55 0.45 -1.40 0.00 0.00 179.01 178.69 3a4k h HIS 171 N -0.29 1.17 -0.20 4.33 3.86 -1.92 -1.43 115.15 120.66 3a4k h HIS 171 Ca -0.01 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3a4k h HIS 171 Cb 0.26 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3a4k h HIS 171 CO 0.00 0.77 0.11 1.25 0.86 0.00 0.00 177.93 180.92 3a4k h LEU 172 N 1.22 0.17 -1.35 2.43 5.85 -1.17 -1.34 115.31 121.13 3a4k h LEU 172 Ca 0.32 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 3a4k h LEU 172 Cb -0.06 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3a4k h LEU 172 CO -0.06 0.13 0.02 0.00 -0.34 0.00 0.00 178.44 178.19 3a4k h ALA 173 N 1.09 1.48 -0.16 1.25 0.00 -0.18 -2.19 119.26 120.56 3a4k h ALA 173 Ca 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3a4k h ALA 173 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a4k h ALA 173 CO -0.04 0.38 0.07 0.82 0.00 0.00 0.00 179.25 180.47 3a4k h ILE 174 N 0.44 1.15 -0.62 0.00 2.04 -0.89 0.15 117.51 119.79 3a4k h ILE 174 Ca 0.10 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.59 3a4k h ILE 174 Cb 0.26 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 3a4k h ILE 174 CO 0.00 0.14 0.26 -0.07 0.00 0.00 0.00 178.15 178.49 3a4k h LEU 175 N 0.11 0.30 -0.30 1.44 3.38 -0.87 -1.59 115.31 117.78 3a4k h LEU 175 Ca 0.05 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3a4k h LEU 175 Cb 0.17 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3a4k h LEU 175 CO -0.00 0.18 -0.35 -0.07 0.09 0.00 0.00 178.44 178.29 3a4k h LEU 176 N 0.47 0.83 -1.31 1.67 3.38 -1.18 -0.46 115.31 118.71 3a4k h LEU 176 Ca 0.31 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3a4k h LEU 176 Cb 0.34 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3a4k h LEU 176 CO -0.28 1.15 0.54 -0.61 0.09 0.00 0.00 178.44 179.33 3a4k h GLN 177 N 0.53 0.74 -0.36 1.13 5.75 -0.51 -1.74 115.11 120.65 3a4k h GLN 177 Ca 0.04 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3a4k h GLN 177 Cb 0.93 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.31 3a4k h GLN 177 CO 0.08 0.49 0.00 1.28 -2.65 0.00 0.00 178.83 178.04 3a4k n LEU 178 N -4.52 2.22 -3.23 -2.39 4.77 -0.61 -4.92 117.00 108.33 3a4k n LEU 178 Ca 0.14 -1.06 -0.23 0.00 -0.03 0.00 0.00 56.01 54.83 3a4k n LEU 178 Cb 0.33 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3a4k n LEU 178 CO 0.32 0.53 -0.02 0.47 -1.33 0.00 0.00 177.39 177.35 3a4k n ASP 179 N 0.70 -4.60 -4.73 -1.43 8.00 -0.65 -4.94 116.55 108.91 3a4k n ASP 179 Ca 0.15 -0.34 -0.40 0.00 0.71 0.00 0.00 54.79 54.91 3a4k n ASP 179 Cb 0.37 -3.76 -0.04 0.00 -0.02 0.00 0.00 41.12 37.67 3a4k n ASP 179 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a4k s LEU 180 N -6.55 4.39 0.12 0.64 1.43 -0.21 -5.04 118.68 113.47 3a4k s LEU 180 Ca 0.36 1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 3a4k s LEU 180 Cb -0.18 -3.26 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 3a4k s LEU 180 CO 0.44 -0.09 0.23 -1.83 0.23 0.00 0.00 176.35 175.33 3a4k s GLU 181 N 0.46 0.97 -0.02 1.70 -1.05 -1.26 -4.69 118.70 114.80 3a4k s GLU 181 Ca 0.41 -1.05 -0.30 0.00 -0.15 0.00 0.00 54.97 53.88 3a4k s GLU 181 Cb -0.20 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 3a4k s GLU 181 CO 0.23 -0.33 1.11 -2.00 0.95 0.00 0.00 175.26 175.21 3a4k s GLU 182 N -3.91 4.44 0.27 -4.83 2.12 -0.02 -4.93 118.70 111.84 3a4k s GLU 182 Ca 0.10 1.58 0.02 0.00 0.36 0.00 0.00 54.97 57.03 3a4k s GLU 182 Cb 0.04 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 3a4k s GLU 182 CO -0.06 -0.28 0.11 0.95 -0.54 0.00 0.00 175.26 175.44 3a4k s THR 183 N 1.59 0.54 0.31 -1.70 -4.23 -0.76 -4.77 115.64 106.63 3a4k s THR 183 Ca 0.54 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.38 3a4k s THR 183 Cb -0.24 -2.61 0.33 0.00 1.34 0.00 0.00 72.50 71.32 3a4k s THR 183 CO 0.24 0.00 2.02 -0.55 -0.54 0.00 0.00 174.62 175.79 3a4k h ASN 184 N 2.33 0.00 -0.15 3.99 -1.07 -1.95 -0.73 115.58 117.99 3a4k h ASN 184 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.00 3a4k h ASN 184 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3a4k h ASN 184 CO 0.59 0.00 0.00 2.30 0.07 0.00 0.00 177.43 180.39 3a4k n ILE 185 N -2.70 0.37 -3.28 6.14 -5.35 -1.26 -4.94 119.36 108.34 3a4k n ILE 185 Ca -0.02 -0.69 -0.04 0.00 -0.27 0.00 0.00 62.75 61.73 3a4k n ILE 185 Cb 0.10 0.97 -0.05 0.00 -1.74 0.00 0.00 39.64 38.91 3a4k n ILE 185 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3a4k s PHE 186 N -1.01 -1.13 0.02 4.28 5.36 -0.28 -5.15 117.98 120.07 3a4k s PHE 186 Ca 0.18 1.19 -0.17 0.00 -0.96 0.00 0.00 56.93 57.17 3a4k s PHE 186 Cb 0.11 0.24 -0.06 0.00 -0.34 0.00 0.00 43.02 42.97 3a4k s PHE 186 CO 0.16 -0.78 0.50 0.45 -1.46 0.00 0.00 175.22 174.09 3a4k s SER 187 N 2.67 6.92 0.00 6.13 0.15 -1.26 -1.82 113.70 126.48 3a4k s SER 187 Ca 0.16 1.09 0.26 0.00 0.70 0.00 0.00 55.95 58.16 3a4k s SER 187 Cb -0.15 -2.31 0.82 0.00 -1.71 0.00 0.00 66.02 62.67 3a4k s SER 187 CO -0.18 0.26 1.61 0.49 1.20 0.00 0.00 173.24 176.62 3a4k n PHE 188 N 2.02 0.05 -0.29 3.44 3.01 -1.26 -4.63 117.46 119.81 3a4k n PHE 188 Ca -0.11 -0.03 0.11 0.00 1.01 0.00 0.00 57.45 58.43 3a4k n PHE 188 Cb 0.51 0.00 0.27 0.00 -0.01 0.00 0.00 39.48 40.25 3a4k n PHE 188 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3a4k h GLU 189 N 2.86 0.29 0.00 -1.08 4.81 -2.02 0.28 114.58 119.73 3a4k h GLU 189 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3a4k h GLU 189 Cb 0.61 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3a4k h GLU 189 CO 0.00 0.19 0.00 1.04 -0.73 0.00 0.00 179.01 179.51 3a4k n GLN 190 N -5.14 0.20 0.33 1.92 1.13 -1.26 -2.23 117.38 112.33 3a4k n GLN 190 Ca 0.20 0.34 -0.17 0.00 -1.94 0.00 0.00 57.00 55.43 3a4k n GLN 190 Cb 0.62 -1.83 -0.09 0.00 0.11 0.00 0.00 30.24 29.05 3a4k n GLN 190 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3a4k h LEU 191 N 0.00 -0.68 -1.54 1.08 5.85 -0.78 -2.39 115.31 116.84 3a4k h LEU 191 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3a4k h LEU 191 Cb 0.48 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3a4k h LEU 191 CO 0.00 -0.43 -0.24 -0.50 -0.34 0.00 0.00 178.44 176.93 3a4k h TRP 192 N -0.89 0.00 -0.18 1.25 -0.00 -1.51 -2.53 115.95 112.10 3a4k h TRP 192 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 3a4k h TRP 192 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.81 3a4k h TRP 192 CO -0.02 0.24 0.00 -1.71 -0.00 0.00 0.00 178.44 176.95 3a4k n ASN 193 N -3.90 1.66 -0.25 -3.49 5.15 -0.95 -4.48 115.26 109.01 3a4k n ASN 193 Ca -0.02 -1.72 0.03 0.00 -0.60 0.00 0.00 54.58 52.27 3a4k n ASN 193 Cb 0.32 -0.11 0.11 0.00 -0.53 0.00 0.00 39.78 39.57 3a4k n ASN 193 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3a4k h PHE 194 N 2.18 -0.26 -0.83 1.20 3.57 -0.97 -2.29 116.94 119.53 3a4k h PHE 194 Ca 0.00 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3a4k h PHE 194 Cb 0.48 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 3a4k h PHE 194 CO 0.11 -0.29 0.37 -1.35 -2.23 0.00 0.00 178.31 174.92 3a4k h PRO 195 N 0.03 1.21 -0.21 6.41 0.11 -1.86 0.62 132.00 138.32 3a4k h PRO 195 Ca 0.38 -0.20 0.02 0.00 0.11 0.00 0.00 66.00 66.31 3a4k h PRO 195 Cb 0.61 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3a4k h PRO 195 CO -0.72 0.95 0.08 -0.22 -0.21 0.00 0.00 178.00 177.88 3a4k h LYS 196 N 1.19 0.18 -0.25 1.05 1.63 -1.74 0.30 116.57 118.92 3a4k h LYS 196 Ca 0.28 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 3a4k h LYS 196 Cb 0.17 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3a4k h LYS 196 CO -0.03 0.12 0.13 0.87 -3.45 0.00 0.00 179.45 177.09 3a4k h LYS 197 N 0.18 0.36 -0.76 1.90 1.79 -0.86 -3.00 116.57 116.18 3a4k h LYS 197 Ca 0.09 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 3a4k h LYS 197 Cb 0.05 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.59 3a4k h LYS 197 CO -0.09 0.33 0.50 0.37 -1.08 0.00 0.00 179.45 179.48 3a4k h GLN 198 N 0.29 0.90 0.00 3.15 5.75 0.57 -2.78 115.11 122.99 3a4k h GLN 198 Ca 0.09 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3a4k h GLN 198 Cb 0.09 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.43 3a4k h GLN 198 CO -0.01 0.60 -0.14 0.66 -2.65 0.00 0.00 178.83 177.28 3a4k h SER 199 N 0.93 0.00 0.37 -0.69 4.64 -0.27 -1.91 113.55 116.62 3a4k h SER 199 Ca 0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3a4k h SER 199 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3a4k h SER 199 CO -0.09 0.14 -0.05 0.11 -0.87 0.00 0.00 176.83 176.07 3a4k h LYS 200 N 0.00 0.00 -0.27 4.77 1.79 -1.51 -2.66 116.57 118.69 3a4k h LYS 200 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3a4k h LYS 200 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3a4k h LYS 200 CO 0.02 0.05 0.00 0.36 -1.08 0.00 0.00 179.45 178.80 3a4k n LYS 201 N -3.38 2.82 -4.62 3.15 2.85 -0.72 -4.97 118.16 113.30 3a4k n LYS 201 Ca -0.02 -2.31 -0.33 0.00 -1.05 0.00 0.00 58.31 54.60 3a4k n LYS 201 Cb 0.19 -1.46 -0.14 0.00 -0.65 0.00 0.00 35.03 32.97 3a4k n LYS 201 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3a4k s THR 202 N -1.75 3.32 0.74 0.58 2.01 -1.00 -5.12 115.64 114.43 3a4k s THR 202 Ca 0.28 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 3a4k s THR 202 Cb 0.20 -2.42 0.03 0.00 0.01 0.00 0.00 72.50 70.32 3a4k s THR 202 CO 0.11 0.51 1.07 -0.94 -0.69 0.00 0.00 174.62 174.69 3a4k s SER 203 N 0.40 4.96 0.26 3.53 1.04 -1.26 -4.93 113.70 117.70 3a4k s SER 203 Ca -0.08 1.62 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 3a4k s SER 203 Cb -0.15 -2.43 0.46 0.00 0.10 0.00 0.00 66.02 63.99 3a4k s SER 203 CO 0.04 -1.71 1.83 0.58 0.98 0.00 0.00 173.24 174.96 3a4k h VAL 204 N -0.91 0.94 0.00 5.02 2.07 -1.99 -2.56 116.25 118.82 3a4k h VAL 204 Ca -0.44 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3a4k h VAL 204 Cb 1.23 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3a4k h VAL 204 CO 0.56 0.17 -0.19 0.77 0.02 0.00 0.00 177.57 178.90 3a4k h SER 205 N 0.92 0.00 -0.23 0.57 4.64 -2.05 -2.58 113.55 114.82 3a4k h SER 205 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3a4k h SER 205 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3a4k h SER 205 CO -0.24 0.19 0.00 0.47 -0.87 0.00 0.00 176.83 176.37 3a4k n ASP 206 N -3.25 2.39 0.25 4.97 8.00 -0.99 -4.61 116.55 123.30 3a4k n ASP 206 Ca 0.01 -1.82 0.09 0.00 0.71 0.00 0.00 54.79 53.78 3a4k n ASP 206 Cb 0.47 -0.14 0.64 0.00 -0.02 0.00 0.00 41.12 42.07 3a4k n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a4k h ALA 207 N 4.28 1.48 -0.01 2.24 0.00 -1.16 -1.61 119.26 124.50 3a4k h ALA 207 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a4k h ALA 207 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3a4k h ALA 207 CO 0.00 0.18 -0.21 0.39 0.00 0.00 0.00 179.25 179.61 3a4k n GLU 208 N -3.96 0.69 -2.11 0.00 1.02 -1.26 -2.80 120.64 112.22 3a4k n GLU 208 Ca -0.02 -0.34 -0.40 0.00 -0.02 0.00 0.00 57.16 56.38 3a4k n GLU 208 Cb 0.23 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.14 3a4k n GLU 208 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3a4k s ASN 209 N -2.54 6.58 0.09 1.62 0.01 -0.61 -0.87 114.94 119.22 3a4k s ASN 209 Ca 0.25 2.65 -0.33 0.00 -0.71 0.00 0.00 52.86 54.71 3a4k s ASN 209 Cb 0.19 -2.64 -0.13 0.00 0.41 0.00 0.00 41.25 39.08 3a4k s ASN 209 CO 0.52 -0.67 1.71 -3.20 -1.51 0.00 0.00 177.10 173.95 3a4k n ASN 210 N 0.48 3.38 -1.23 -1.22 2.85 -0.23 -4.86 115.26 114.43 3a4k n ASN 210 Ca 0.02 1.04 0.01 0.00 -0.11 0.00 0.00 54.58 55.53 3a4k n ASN 210 Cb 0.43 -1.44 0.25 0.00 1.24 0.00 0.00 39.78 40.26 3a4k n ASN 210 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 3a4k n PHE 211 N 4.70 1.35 0.19 1.20 1.16 -1.26 -4.72 117.46 120.07 3a4k n PHE 211 Ca 0.19 -1.20 0.07 0.00 -1.87 0.00 0.00 57.45 54.64 3a4k n PHE 211 Cb 0.31 -0.46 0.25 0.00 -1.61 0.00 0.00 39.48 37.96 3a4k n PHE 211 CO 0.00 0.00 0.00 0.52 -1.87 0.00 0.00 176.76 175.41 3a4k h MET 212 N 1.68 0.00 0.09 3.97 2.86 -1.96 0.16 114.93 121.72 3a4k h MET 212 Ca 0.14 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3a4k h MET 212 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 3a4k h MET 212 CO 0.40 0.30 -0.05 0.00 1.06 0.00 0.00 176.91 178.63 3a4k h ARG 213 N 0.00 -0.12 -0.69 1.72 3.08 -1.99 0.24 114.38 116.62 3a4k h ARG 213 Ca -0.00 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 3a4k h ARG 213 Cb 1.03 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.04 3a4k h ARG 213 CO 0.04 0.20 0.36 -0.44 -1.07 0.00 0.00 179.97 179.06 3a4k h ASP 214 N -0.45 0.49 0.09 7.04 3.32 -1.89 -0.62 116.42 124.39 3a4k h ASP 214 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3a4k h ASP 214 Cb 0.38 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3a4k h ASP 214 CO 0.02 0.30 -0.09 0.15 -1.72 0.00 0.00 179.24 177.90 3a4k h PHE 215 N 0.63 -0.23 -0.85 4.55 3.57 -0.63 -0.31 116.94 123.66 3a4k h PHE 215 Ca 0.33 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.94 3a4k h PHE 215 Cb 0.30 0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.05 3a4k h PHE 215 CO -0.10 -0.14 0.48 -0.91 -2.23 0.00 0.00 178.31 175.41 3a4k h ASN 216 N -0.20 0.67 -0.78 0.41 2.35 -0.56 0.95 115.58 118.41 3a4k h ASN 216 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3a4k h ASN 216 Cb 0.19 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 3a4k h ASN 216 CO -0.02 0.36 0.49 0.11 -1.65 0.00 0.00 177.43 176.72 3a4k h LYS 217 N 0.78 1.05 -0.20 0.81 1.57 -0.83 -1.50 116.57 118.23 3a4k h LYS 217 Ca 0.42 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 3a4k h LYS 217 Cb 0.45 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3a4k h LYS 217 CO -0.28 0.72 0.08 -0.92 -0.57 0.00 0.00 179.45 178.48 3a4k h TYR 218 N 1.07 0.31 -0.36 -1.35 3.20 -0.34 -1.26 116.97 118.24 3a4k h TYR 218 Ca 0.28 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.20 3a4k h TYR 218 Cb -0.08 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.04 3a4k h TYR 218 CO -0.01 0.36 -0.06 0.35 -1.64 0.00 0.00 178.16 177.16 3a4k h PHE 219 N 0.17 -0.13 -0.63 -3.82 3.57 -0.77 0.11 116.94 115.45 3a4k h PHE 219 Ca 0.07 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3a4k h PHE 219 Cb 0.18 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3a4k h PHE 219 CO -0.01 -0.12 0.16 0.52 -2.23 0.00 0.00 178.31 176.63 3a4k h MET 220 N 0.03 1.01 -0.20 1.11 2.86 -1.25 -1.13 114.93 117.36 3a4k h MET 220 Ca 0.17 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 3a4k h MET 220 Cb 0.26 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3a4k h MET 220 CO -0.34 0.91 -0.19 0.22 1.06 0.00 0.00 176.91 178.57 3a4k h ASP 221 N 0.93 0.52 -0.47 1.22 3.58 -1.09 -0.36 116.42 120.75 3a4k h ASP 221 Ca 0.20 -0.47 -0.09 0.00 0.42 0.00 0.00 57.03 57.09 3a4k h ASP 221 Cb 0.35 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3a4k h ASP 221 CO 0.00 0.88 -0.07 0.25 -2.88 0.00 0.00 179.24 177.42 3a4k h LEU 222 N 0.17 0.87 -2.12 2.28 5.85 -0.87 -3.17 115.31 118.32 3a4k h LEU 222 Ca 0.03 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3a4k h LEU 222 Cb 0.73 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3a4k h LEU 222 CO 0.05 1.01 0.00 0.49 -0.34 0.00 0.00 178.44 179.65 3a4k n PHE 223 N -4.28 0.44 -3.88 1.25 3.72 -0.44 -4.98 117.46 109.29 3a4k n PHE 223 Ca 0.00 -0.22 -0.34 0.00 -0.05 0.00 0.00 57.45 56.84 3a4k n PHE 223 Cb 0.36 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.92 3a4k n PHE 223 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3a4k n LYS 224 N 1.32 -1.38 -4.16 -1.08 4.76 -0.48 -5.00 118.16 112.14 3a4k n LYS 224 Ca 0.19 0.32 -0.35 0.00 -2.87 0.00 0.00 58.31 55.60 3a4k n LYS 224 Cb 0.57 -3.76 -0.09 0.00 -1.84 0.00 0.00 35.03 29.91 3a4k n LYS 224 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3a4k s ILE 225 N -3.64 4.60 0.54 -0.18 1.01 -0.27 -5.03 121.20 118.23 3a4k s ILE 225 Ca 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 3a4k s ILE 225 Cb -0.15 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.31 3a4k s ILE 225 CO 0.90 0.53 0.80 1.51 0.00 0.00 0.00 174.94 178.69 3a4k s ASP 226 N -0.20 5.62 0.30 3.58 1.47 -1.26 -4.58 116.67 121.58 3a4k s ASP 226 Ca 0.07 0.45 0.05 0.00 1.18 0.00 0.00 52.55 54.30 3a4k s ASP 226 Cb -0.12 -1.52 0.69 0.00 -0.34 0.00 0.00 42.92 41.63 3a4k s ASP 226 CO 0.02 -0.95 1.80 0.50 0.68 0.00 0.00 175.17 177.21 3a4k h LYS 227 N 0.06 0.81 -0.22 2.11 3.64 -1.99 -1.09 116.57 119.90 3a4k h LYS 227 Ca -0.45 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 58.68 3a4k h LYS 227 Cb 1.26 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3a4k h LYS 227 CO 0.58 0.54 -0.64 -0.44 -2.27 0.00 0.00 179.45 177.22 3a4k h ASP 228 N 0.84 0.90 -0.56 4.20 5.19 -1.98 0.29 116.42 125.29 3a4k h ASP 228 Ca 0.55 -0.52 -0.08 0.00 -0.62 0.00 0.00 57.03 56.36 3a4k h ASP 228 Cb 0.77 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 3a4k h ASP 228 CO -0.34 1.31 0.05 0.74 -3.12 0.00 0.00 179.24 177.88 3a4k h THR 229 N 0.58 1.26 -0.17 0.35 2.02 -1.81 -1.78 112.91 113.36 3a4k h THR 229 Ca -0.01 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 3a4k h THR 229 Cb 1.24 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3a4k h THR 229 CO 0.13 0.38 -0.18 0.25 0.37 0.00 0.00 175.52 176.47 3a4k h LEU 230 N 0.85 0.45 -0.22 2.58 5.85 -0.88 -1.65 115.31 122.29 3a4k h LEU 230 Ca 0.17 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.46 3a4k h LEU 230 Cb 0.47 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3a4k h LEU 230 CO 0.02 0.85 -0.35 -1.13 -0.34 0.00 0.00 178.44 177.48 3a4k h ASN 231 N 0.07 -1.11 -0.40 1.25 -0.73 -0.43 -1.60 115.58 112.62 3a4k h ASN 231 Ca 0.03 0.17 -0.10 0.00 1.87 0.00 0.00 56.30 58.27 3a4k h ASN 231 Cb 0.72 0.48 -0.02 0.00 0.27 0.00 0.00 38.32 39.78 3a4k h ASN 231 CO 0.04 -0.36 -0.10 0.06 -0.37 0.00 0.00 177.43 176.70 3a4k h GLN 232 N -0.38 0.85 -0.94 6.67 -0.00 -1.28 -0.26 115.11 119.78 3a4k h GLN 232 Ca 0.11 -0.29 -0.00 0.00 -0.00 0.00 0.00 58.65 58.47 3a4k h GLN 232 Cb 0.56 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.48 27.93 3a4k h GLN 232 CO -0.42 0.91 0.58 -0.07 -0.00 0.00 0.00 178.83 179.83 3a4k h LEU 233 N 0.77 1.12 -0.35 0.06 3.38 -1.08 -1.24 115.31 117.97 3a4k h LEU 233 Ca 0.13 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3a4k h LEU 233 Cb 0.60 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3a4k h LEU 233 CO 0.04 0.85 -0.31 -0.07 0.09 0.00 0.00 178.44 179.03 3a4k h LEU 234 N 1.30 0.89 -0.53 1.67 3.38 -0.88 -1.50 115.31 119.63 3a4k h LEU 234 Ca 0.34 -0.46 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3a4k h LEU 234 Cb -0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 3a4k h LEU 234 CO -0.07 1.16 0.24 1.56 0.09 0.00 0.00 178.44 181.43 3a4k h GLN 235 N 0.63 0.45 -0.98 1.13 1.08 -0.88 0.52 115.11 117.06 3a4k h GLN 235 Ca 0.06 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3a4k h GLN 235 Cb 0.90 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 28.17 3a4k h GLN 235 CO 0.08 0.30 0.65 0.87 -0.95 0.00 0.00 178.83 179.77 3a4k h LYS 236 N 0.46 1.24 -0.06 1.46 1.57 -1.05 -0.41 116.57 119.77 3a4k h LYS 236 Ca 0.25 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3a4k h LYS 236 Cb 0.21 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3a4k h LYS 236 CO -0.21 0.82 -0.04 0.93 -0.57 0.00 0.00 179.45 180.38 3a4k h GLU 237 N 1.27 -0.05 -0.61 3.15 4.39 -0.18 -0.91 114.58 121.65 3a4k h GLU 237 Ca 0.38 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.19 3a4k h GLU 237 Cb -0.06 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.52 3a4k h GLU 237 CO -0.10 -0.03 0.17 0.82 -1.16 0.00 0.00 179.01 178.70 3a4k h ILE 238 N -0.05 0.67 -0.78 3.13 2.04 -0.55 -1.30 117.51 120.68 3a4k h ILE 238 Ca 0.04 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3a4k h ILE 238 Cb 0.11 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 3a4k h ILE 238 CO -0.09 0.06 0.35 0.78 0.00 0.00 0.00 178.15 179.24 3a4k h ASN 239 N 0.31 1.04 -0.66 1.72 2.35 -0.78 0.36 115.58 119.92 3a4k h ASN 239 Ca 0.32 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3a4k h ASN 239 Cb 0.46 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3a4k h ASN 239 CO -0.38 0.90 0.38 -0.26 -1.65 0.00 0.00 177.43 176.42 3a4k h PHE 240 N 1.11 0.89 -0.36 1.19 0.04 -0.63 -1.97 116.94 117.20 3a4k h PHE 240 Ca 0.26 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.98 3a4k h PHE 240 Cb 0.16 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3a4k h PHE 240 CO 0.01 0.62 0.08 0.82 -0.60 0.00 0.00 178.31 179.24 3a4k h ILE 241 N 0.90 1.23 -0.68 -0.55 2.04 -0.77 -2.09 117.51 117.59 3a4k h ILE 241 Ca 0.23 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.36 3a4k h ILE 241 Cb 0.01 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3a4k h ILE 241 CO -0.04 0.27 0.39 -0.08 0.00 0.00 0.00 178.15 178.69 3a4k h GLU 242 N 0.43 0.72 -0.77 2.37 4.81 -0.78 -0.76 114.58 120.60 3a4k h GLU 242 Ca 0.11 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3a4k h GLU 242 Cb 0.32 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3a4k h GLU 242 CO 0.00 0.48 0.41 0.93 -0.73 0.00 0.00 179.01 180.10 3a4k h GLU 243 N 0.74 1.08 -0.72 1.92 5.08 -1.20 -2.79 114.58 118.69 3a4k h GLU 243 Ca 0.29 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3a4k h GLU 243 Cb 0.13 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3a4k h GLU 243 CO -0.16 0.81 0.20 -0.09 -1.00 0.00 0.00 179.01 178.77 3a4k h ARG 244 N 1.07 1.14 -0.55 2.33 9.65 -0.97 -3.01 114.38 124.03 3a4k h ARG 244 Ca 0.27 -0.26 0.12 0.00 -1.10 0.00 0.00 59.98 59.00 3a4k h ARG 244 Cb 0.05 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 3a4k h ARG 244 CO -0.04 0.99 0.38 0.66 2.80 0.00 0.00 179.97 184.76 3a4k h SER 245 N 1.08 0.22 -0.34 -3.80 4.64 -0.86 -2.45 113.55 112.05 3a4k h SER 245 Ca 0.23 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3a4k h SER 245 Cb 0.35 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3a4k h SER 245 CO -0.00 0.13 0.13 -0.07 -0.87 0.00 0.00 176.83 176.15 3a4k h LEU 246 N 0.24 0.46 -0.67 5.97 3.38 -1.52 0.90 115.31 124.08 3a4k h LEU 246 Ca 0.26 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3a4k h LEU 246 Cb 0.70 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 3a4k h LEU 246 CO -0.05 0.50 0.39 0.40 0.09 0.00 0.00 178.44 179.77 3a4k h ILE 247 N 0.40 1.01 -0.22 1.22 1.08 -1.56 -2.73 117.51 116.71 3a4k h ILE 247 Ca 0.11 -0.25 -0.13 0.00 -0.39 0.00 0.00 64.86 64.19 3a4k h ILE 247 Cb 0.18 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.14 3a4k h ILE 247 CO -0.01 0.13 -0.39 -0.33 -0.69 0.00 0.00 178.15 176.87 3a4k h GLU 248 N 0.74 0.65 -0.77 2.37 4.39 -1.03 -2.80 114.58 118.14 3a4k h GLU 248 Ca 0.29 -0.41 0.06 0.00 0.34 0.00 0.00 59.36 59.64 3a4k h GLU 248 Cb 0.12 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.77 3a4k h GLU 248 CO -0.15 1.02 0.50 0.87 -1.16 0.00 0.00 179.01 180.09 3a4k h LYS 249 N 0.36 0.82 -0.37 2.33 1.57 -0.86 -2.82 116.57 117.59 3a4k h LYS 249 Ca 0.01 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3a4k h LYS 249 Cb 0.98 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3a4k h LYS 249 CO 0.09 0.54 -0.07 0.93 -0.57 0.00 0.00 179.45 180.37 3a4k h GLU 250 N 0.85 0.63 -0.78 3.15 5.08 -1.23 -1.60 114.58 120.68 3a4k h GLU 250 Ca 0.33 -0.17 0.11 0.00 -1.00 0.00 0.00 59.36 58.62 3a4k h GLU 250 Cb 0.21 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 3a4k h GLU 250 CO -0.11 0.70 0.40 -0.92 -1.00 0.00 0.00 179.01 178.08 3a4k h TYR 251 N 0.58 0.72 0.01 4.33 3.20 -1.32 -1.20 116.97 123.28 3a4k h TYR 251 Ca 0.11 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.81 3a4k h TYR 251 Cb 0.47 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3a4k h TYR 251 CO 0.02 0.24 -0.91 -1.49 -1.64 0.00 0.00 178.16 174.38 3a4k h TRP 252 N 0.65 0.22 -0.24 -3.82 4.06 -1.38 -2.53 115.95 112.91 3a4k h TRP 252 Ca 0.39 -0.13 0.05 0.00 2.06 0.00 0.00 58.89 61.26 3a4k h TRP 252 Cb 0.45 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.54 3a4k h TRP 252 CO -0.10 0.97 -0.06 0.87 -3.56 0.00 0.00 178.44 176.57 3a4k h LYS 253 N 0.07 0.00 -0.95 0.49 1.57 -1.01 -1.19 116.57 115.56 3a4k h LYS 253 Ca -0.04 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3a4k h LYS 253 Cb 1.56 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.82 3a4k h LYS 253 CO 0.13 0.00 0.63 0.87 -0.57 0.00 0.00 179.45 180.51 3a4k h LYS 254 N 0.00 1.24 -0.50 3.15 1.57 -1.18 -2.55 116.57 118.30 3a4k h LYS 254 Ca 0.11 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3a4k h LYS 254 Cb 0.17 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3a4k h LYS 254 CO -0.24 0.82 -0.18 1.96 -0.57 0.00 0.00 179.45 181.24 3a4k h GLN 255 N 1.27 1.00 -0.12 3.15 1.08 -1.14 -0.72 115.11 119.63 3a4k h GLN 255 Ca 0.35 -0.40 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 3a4k h GLN 255 Cb -0.13 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 3a4k h GLN 255 CO -0.08 1.08 -0.16 0.82 -0.95 0.00 0.00 178.83 179.55 3a4k h ILE 256 N 0.87 0.59 -0.69 2.54 2.04 -1.06 -1.87 117.51 119.94 3a4k h ILE 256 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3a4k h ILE 256 Cb 0.75 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 3a4k h ILE 256 CO 0.06 0.00 0.42 -1.13 0.00 0.00 0.00 178.15 177.50 3a4k h ASN 257 N -0.20 0.67 -0.46 1.72 -0.73 -1.27 -1.45 115.58 113.85 3a4k h ASN 257 Ca 0.09 0.01 0.08 0.00 1.87 0.00 0.00 56.30 58.34 3a4k h ASN 257 Cb 0.33 -0.14 -0.06 0.00 0.27 0.00 0.00 38.32 38.72 3a4k h ASN 257 CO -0.24 0.46 0.09 0.40 -0.37 0.00 0.00 177.43 177.78 3a4k h ILE 258 N 0.81 0.75 -0.47 2.57 2.04 -0.74 -1.42 117.51 121.05 3a4k h ILE 258 Ca 0.28 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.98 3a4k h ILE 258 Cb 0.06 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3a4k h ILE 258 CO -0.13 0.04 -0.06 0.40 0.00 0.00 0.00 178.15 178.40 3a4k h ILE 259 N 0.23 1.25 0.00 -0.67 2.04 -1.08 -2.66 117.51 116.62 3a4k h ILE 259 Ca 0.23 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3a4k h ILE 259 Cb 0.29 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3a4k h ILE 259 CO -0.30 0.39 0.00 0.11 0.00 0.00 0.00 178.15 178.35 3a4k h LYS 260 N 0.74 0.00 -0.02 2.37 1.57 -0.17 -1.45 116.57 119.62 3a4k h LYS 260 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3a4k h LYS 260 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3a4k h LYS 260 CO 0.03 0.00 -0.21 0.09 -0.57 0.00 0.00 179.45 178.79 3a4k n ASN 261 N -2.81 2.09 -4.76 0.86 3.02 -1.01 -4.99 115.26 107.65 3a4k n ASN 261 Ca -0.02 -1.56 -0.41 0.00 -0.03 0.00 0.00 54.58 52.56 3a4k n ASN 261 Cb 0.11 0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 3a4k n ASN 261 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3a4k s PHE 262 N -2.25 2.80 0.94 3.10 0.08 -0.55 -5.03 117.98 117.07 3a4k s PHE 262 Ca 0.26 1.11 -0.12 0.00 0.12 0.00 0.00 56.93 58.30 3a4k s PHE 262 Cb 0.19 -3.92 0.16 0.00 -0.57 0.00 0.00 43.02 38.88 3a4k s PHE 262 CO 0.44 -2.82 1.09 0.95 -0.10 0.00 0.00 175.22 174.78 3a4k s THR 263 N -0.68 2.40 0.16 0.64 -4.23 -1.26 -4.88 115.64 107.79 3a4k s THR 263 Ca 0.55 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 61.05 3a4k s THR 263 Cb -0.44 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 70.82 3a4k s THR 263 CO 0.54 -0.17 1.79 -0.09 -0.54 0.00 0.00 174.62 176.15 3a4k h ARG 264 N -1.71 0.65 0.00 3.99 2.43 -2.00 -1.91 114.38 115.83 3a4k h ARG 264 Ca -0.52 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 3a4k h ARG 264 Cb 1.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3a4k h ARG 264 CO 0.56 0.48 0.00 1.05 -1.51 0.00 0.00 179.97 180.55 3a4k h GLU 265 N 0.64 0.00 -0.00 0.20 4.11 -1.98 -2.17 114.58 115.37 3a4k h GLU 265 Ca 0.17 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.47 3a4k h GLU 265 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3a4k h GLU 265 CO -0.03 0.00 -0.63 0.93 0.07 0.00 0.00 179.01 179.35 3a4k h GLU 266 N 0.00 0.01 0.02 1.06 5.08 -1.74 -2.34 114.58 116.67 3a4k h GLU 266 Ca 0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a4k h GLU 266 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3a4k h GLU 266 CO 0.00 0.63 -0.01 0.00 -1.00 0.00 0.00 179.01 178.63 3a4k h ALA 267 N 1.37 -0.03 -0.48 3.43 0.00 -1.19 -2.14 119.26 120.22 3a4k h ALA 267 Ca -0.01 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.72 3a4k h ALA 267 Cb 1.11 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 3a4k h ALA 267 CO 0.08 -0.04 -0.07 0.82 0.00 0.00 0.00 179.25 180.04 3a4k h ILE 268 N -0.98 0.56 -0.68 0.00 2.04 -1.53 0.20 117.51 117.12 3a4k h ILE 268 Ca -0.00 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3a4k h ILE 268 Cb 0.57 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3a4k h ILE 268 CO 0.00 0.01 0.27 -0.08 0.00 0.00 0.00 178.15 178.36 3a4k h GLU 269 N 0.04 1.01 -0.28 2.37 4.22 -1.51 0.35 114.58 120.78 3a4k h GLU 269 Ca 0.24 -0.17 -0.17 0.00 0.08 0.00 0.00 59.36 59.34 3a4k h GLU 269 Cb 0.36 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3a4k h GLU 269 CO -0.46 0.82 -0.51 0.00 -2.18 0.00 0.00 179.01 176.68 3a4k h ALA 270 N 1.31 0.56 -0.06 2.92 0.00 -0.77 -0.93 119.26 122.30 3a4k h ALA 270 Ca 0.23 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3a4k h ALA 270 Cb 0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3a4k h ALA 270 CO -0.02 0.68 0.02 1.25 0.00 0.00 0.00 179.25 181.18 3a4k h LEU 271 N 0.62 0.02 -1.09 0.00 5.85 -0.40 0.21 115.31 120.51 3a4k h LEU 271 Ca 0.02 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3a4k h LEU 271 Cb 1.10 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3a4k h LEU 271 CO 0.11 0.02 0.36 -0.07 -0.34 0.00 0.00 178.44 178.53 3a4k h LEU 272 N 0.05 0.90 -0.63 2.25 3.38 -0.90 -1.47 115.31 118.89 3a4k h LEU 272 Ca 0.02 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3a4k h LEU 272 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3a4k h LEU 272 CO -0.03 0.74 0.12 0.50 0.09 0.00 0.00 178.44 179.86 3a4k h LYS 273 N 1.00 1.03 0.44 1.13 3.64 -0.93 -1.09 116.57 121.79 3a4k h LYS 273 Ca 0.25 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3a4k h LYS 273 Cb 0.06 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3a4k h LYS 273 CO -0.04 0.95 -0.21 0.22 -2.27 0.00 0.00 179.45 178.10 3a4k h ASP 274 N 0.94 -0.50 -0.68 4.20 3.58 -0.64 -3.22 116.42 120.10 3a4k h ASP 274 Ca 0.19 -0.08 0.07 0.00 0.42 0.00 0.00 57.03 57.63 3a4k h ASP 274 Cb 0.41 0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 3a4k h ASP 274 CO 0.01 -0.09 0.36 0.40 -2.88 0.00 0.00 179.24 177.05 3a4k h ILE 275 N -1.04 0.93 -5.77 2.25 2.04 -1.36 -3.47 117.51 111.09 3a4k h ILE 275 Ca -0.06 -0.22 -0.36 0.00 1.00 0.00 0.00 64.86 65.21 3a4k h ILE 275 Cb 0.55 0.21 0.14 0.00 -0.74 0.00 0.00 36.82 36.99 3a4k h ILE 275 CO 0.10 0.12 -0.75 -3.20 0.00 0.00 0.00 178.15 174.42 3a4k n ASN 276 N -4.81 -3.21 0.28 1.72 5.15 -0.41 -4.89 115.26 109.09 3a4k n ASN 276 Ca 0.09 -0.62 0.18 0.00 -0.60 0.00 0.00 54.58 53.63 3a4k n ASN 276 Cb 0.21 -4.96 0.74 0.00 -0.53 0.00 0.00 39.78 35.24 3a4k n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a4k h MET 277 N -2.12 0.00 -0.05 1.20 -0.00 -1.91 -1.81 114.93 110.24 3a4k h MET 277 Ca -0.59 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.00 3a4k h MET 277 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.94 3a4k h MET 277 CO 0.53 0.00 -0.49 0.66 -0.00 0.00 0.00 176.91 177.61 3a4k h SER 278 N 0.00 0.12 -0.13 -0.10 4.64 -1.90 -0.37 113.55 115.82 3a4k h SER 278 Ca -0.00 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.07 3a4k h SER 278 Cb 0.46 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3a4k h SER 278 CO 0.00 0.59 -0.65 -1.28 -0.87 0.00 0.00 176.83 174.63 3a4k h SER 279 N 0.09 0.85 -0.21 4.97 0.87 -1.72 -2.08 113.55 116.33 3a4k h SER 279 Ca 0.00 -0.50 0.03 0.00 -1.23 0.00 0.00 61.79 60.09 3a4k h SER 279 Cb 0.90 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 3a4k h SER 279 CO 0.07 1.28 0.03 0.11 -0.53 0.00 0.00 176.83 177.79 3a4k h LYS 280 N 0.54 0.10 -0.82 2.24 1.57 -1.01 0.42 116.57 119.62 3a4k h LYS 280 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3a4k h LYS 280 Cb 1.25 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3a4k h LYS 280 CO 0.13 0.07 0.48 0.82 -0.57 0.00 0.00 179.45 180.38 3a4k h ILE 281 N 0.10 1.23 -0.45 1.86 2.04 -1.05 -0.52 117.51 120.74 3a4k h ILE 281 Ca 0.10 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.37 3a4k h ILE 281 Cb 0.11 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3a4k h ILE 281 CO -0.14 0.25 0.04 -0.33 0.00 0.00 0.00 178.15 177.97 3a4k h GLU 282 N 1.12 0.70 -0.35 2.37 5.08 -0.91 -1.45 114.58 121.14 3a4k h GLU 282 Ca 0.29 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3a4k h GLU 282 Cb -0.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3a4k h GLU 282 CO -0.05 0.69 0.12 1.15 -1.00 0.00 0.00 179.01 179.91 3a4k h THR 283 N 0.67 1.20 -0.20 1.13 2.02 -0.15 -1.18 112.91 116.41 3a4k h THR 283 Ca 0.14 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.70 3a4k h THR 283 Cb 0.35 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3a4k h THR 283 CO 0.01 0.23 -0.04 0.40 0.37 0.00 0.00 175.52 176.49 3a4k h ILE 284 N 0.42 0.81 -0.36 3.11 2.04 -0.83 -0.35 117.51 122.35 3a4k h ILE 284 Ca 0.12 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 3a4k h ILE 284 Cb 0.24 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3a4k h ILE 284 CO -0.01 0.00 -0.02 0.44 0.00 0.00 0.00 178.15 178.57 3a4k h ASP 285 N 0.01 0.65 -0.65 1.72 3.32 -1.18 -2.30 116.42 117.99 3a4k h ASP 285 Ca 0.09 -0.32 0.11 0.00 0.02 0.00 0.00 57.03 56.93 3a4k h ASP 285 Cb 0.14 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.44 3a4k h ASP 285 CO -0.20 0.81 0.24 -1.28 -1.72 0.00 0.00 179.24 177.09 3a4k h SER 286 N 0.47 0.22 -0.41 6.45 0.87 -1.11 0.37 113.55 120.40 3a4k h SER 286 Ca 0.10 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3a4k h SER 286 Cb 0.49 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3a4k h SER 286 CO 0.02 0.12 0.21 0.15 -0.53 0.00 0.00 176.83 176.79 3a4k h PHE 287 N 0.41 0.58 -0.17 2.24 3.57 -0.61 -1.65 116.94 121.30 3a4k h PHE 287 Ca 0.33 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 3a4k h PHE 287 Cb 0.44 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.01 3a4k h PHE 287 CO -0.18 0.47 -0.56 0.82 -2.23 0.00 0.00 178.31 176.63 3a4k h ILE 288 N 0.52 1.32 -0.70 1.41 1.08 -1.26 -2.05 117.51 117.83 3a4k h ILE 288 Ca 0.14 -1.80 0.08 0.00 -0.39 0.00 0.00 64.86 62.89 3a4k h ILE 288 Cb 0.10 1.97 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 3a4k h ILE 288 CO -0.02 0.56 0.36 0.50 -0.69 0.00 0.00 178.15 178.86 3a4k h LYS 289 N 0.36 0.61 -0.45 2.37 3.64 -0.82 -2.99 116.57 119.29 3a4k h LYS 289 Ca -0.02 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 3a4k h LYS 289 Cb 1.18 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 3a4k h LYS 289 CO 0.12 0.41 0.18 0.78 -2.27 0.00 0.00 179.45 178.66 3a4k h GLY 290 N 0.63 0.73 2.00 5.01 0.00 -1.07 -3.09 103.07 107.28 3a4k h GLY 290 Ca 0.33 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3a4k h GLY 290 CO -0.24 0.38 0.00 0.16 0.00 0.00 0.00 176.54 176.84 3a4k h ILE 291 N 0.59 0.00 0.00 2.60 3.07 -1.31 -2.01 117.51 120.45 3a4k h ILE 291 Ca 0.15 -0.44 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3a4k h ILE 291 Cb 0.20 1.38 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 3a4k h ILE 291 CO -0.01 0.00 -0.11 0.29 -1.05 0.00 0.00 178.15 177.27 3a4k n LYS 292 N -2.91 0.09 -1.95 0.16 5.02 -1.14 -4.80 118.16 112.63 3a4k n LYS 292 Ca 0.01 0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3a4k n LYS 292 Cb 0.28 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3a4k n LYS 292 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a4k s SER 293 N -3.47 6.63 0.41 4.39 0.15 -0.76 -4.94 113.70 116.11 3a4k s SER 293 Ca 0.12 2.38 0.16 0.00 0.70 0.00 0.00 55.95 59.32 3a4k s SER 293 Cb 0.17 -2.55 1.05 0.00 -1.71 0.00 0.00 66.02 62.98 3a4k s SER 293 CO 0.58 -0.91 1.84 -1.13 1.20 0.00 0.00 173.24 174.83 3a4k h ASN 294 N 8.96 0.45 0.36 5.45 -0.73 -1.88 -0.56 115.58 127.64 3a4k h ASN 294 Ca -0.42 0.05 0.00 0.00 1.87 0.00 0.00 56.30 57.80 3a4k h ASN 294 Cb 1.19 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 39.75 3a4k h ASN 294 CO 0.94 0.18 0.00 -0.90 -0.37 0.00 0.00 177.43 177.27 3a4k n ASP 295 N -4.54 0.00 -0.07 1.15 3.85 -1.26 -2.58 116.55 113.09 3a4k n ASP 295 Ca 0.20 0.16 0.14 0.00 -0.71 0.00 0.00 54.79 54.58 3a4k n ASP 295 Cb 0.69 -0.34 0.59 0.00 -1.35 0.00 0.00 41.12 40.71 3a4k n ASP 295 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3a4k n ARG 296 N -1.34 0.48 0.20 0.11 5.12 -0.22 -2.32 116.66 118.70 3a4k n ARG 296 Ca 0.07 -0.15 0.09 0.00 -1.93 0.00 0.00 57.85 55.93 3a4k n ARG 296 Cb 0.14 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.11 3a4k n ARG 296 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3a4k h LEU 297 N 0.37 0.00 -1.97 0.55 3.38 -1.68 -3.49 115.31 112.47 3a4k h LEU 297 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 3a4k h LEU 297 Cb 0.39 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.19 3a4k h LEU 297 CO 0.00 0.16 -0.85 -1.22 0.09 0.00 0.00 178.44 176.62 3a4k n TYR 298 N -3.15 -1.92 -0.14 1.13 4.01 -0.98 -5.21 117.16 110.90 3a4k n TYR 298 Ca 0.03 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.56 3a4k n TYR 298 Cb 0.58 -4.23 0.00 0.00 -0.31 0.00 0.00 39.34 35.37 3a4k n TYR 298 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68