#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 s THR 2 N 0.00 2.19 0.26 0.00 -4.23 -1.26 -4.87 115.64 107.73 1vs7 s THR 2 Ca 0.00 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1vs7 s THR 2 Cb 0.00 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 71.02 1vs7 s THR 2 CO 0.00 -0.01 1.83 0.58 -0.54 0.00 0.00 174.62 176.47 1vs7 h VAL 3 N 1.06 0.94 -1.20 2.29 2.07 -2.04 -1.07 116.25 118.30 1vs7 h VAL 3 Ca -0.51 -0.31 0.34 0.00 0.82 0.00 0.00 66.70 67.05 1vs7 h VAL 3 Cb 1.31 -0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1vs7 h VAL 3 CO 0.56 0.16 0.84 -1.13 0.02 0.00 0.00 177.57 178.02 1vs7 h ASN 4 N 0.90 0.09 0.02 0.57 -1.24 -1.99 0.28 115.58 114.21 1vs7 h ASN 4 Ca 0.43 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.46 1vs7 h ASN 4 Cb 0.36 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1vs7 h ASN 4 CO -0.24 0.01 -0.01 1.56 -1.29 0.00 0.00 177.43 177.46 1vs7 h GLN 5 N 0.07 -0.03 -0.18 6.67 4.20 -1.55 -3.15 115.11 121.14 1vs7 h GLN 5 Ca 0.60 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.36 1vs7 h GLN 5 Cb 2.21 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.99 1vs7 h GLN 5 CO -0.08 0.41 0.14 -0.07 -0.67 0.00 0.00 178.83 178.57 1vs7 h LEU 6 N -0.99 0.00 -0.59 1.46 3.38 -1.17 0.13 115.31 117.52 1vs7 h LEU 6 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1vs7 h LEU 6 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1vs7 h LEU 6 CO 0.00 0.00 0.18 0.58 0.09 0.00 0.00 178.44 179.30 1vs7 h VAL 7 N 0.00 1.24 0.00 1.22 2.07 -0.60 -2.31 116.25 117.87 1vs7 h VAL 7 Ca 0.09 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1vs7 h VAL 7 Cb 0.36 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1vs7 h VAL 7 CO -0.00 0.31 0.00 -1.14 0.02 0.00 0.00 177.57 176.76 1vs7 n ARG 8 N -4.41 0.00 -3.52 1.57 3.00 0.25 -4.64 116.66 108.91 1vs7 n ARG 8 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.47 1vs7 n ARG 8 Cb 0.21 -0.62 -0.07 0.00 0.00 0.00 0.00 32.46 31.97 1vs7 n ARG 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1vs7 s LYS 9 N -0.33 2.67 0.00 -0.14 2.20 -0.13 -5.07 119.74 118.95 1vs7 s LYS 9 Ca 0.00 -1.95 0.00 0.00 -0.36 0.00 0.00 55.97 53.66 1vs7 s LYS 9 Cb 0.00 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1vs7 s LYS 9 CO 0.00 -1.22 0.00 -2.30 -0.36 0.00 0.00 175.35 171.47 1vs7 n PRO 10 N 4.64 2.85 -3.72 4.03 -0.02 -0.87 -4.22 135.00 137.69 1vs7 n PRO 10 Ca -0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.17 1vs7 n PRO 10 Cb 0.41 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.73 1vs7 n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1vs7 s ARG 11 N 0.00 0.58 -0.11 -0.52 0.52 -1.26 -4.79 118.95 113.36 1vs7 s ARG 11 Ca 0.00 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 1vs7 s ARG 11 Cb 0.00 -2.08 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 1vs7 s ARG 11 CO 0.00 -0.65 1.20 0.00 0.02 0.00 0.00 175.30 175.88 1vs7 s ALA 12 N 1.89 3.57 0.00 2.13 0.00 -1.26 -4.99 121.76 123.10 1vs7 s ALA 12 Ca -0.01 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1vs7 s ALA 12 Cb -0.17 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1vs7 s ALA 12 CO -0.08 -0.93 0.08 0.54 0.00 0.00 0.00 175.76 175.37 1vs7 n ARG 13 N 5.81 0.00 0.00 0.00 3.00 -1.26 -5.06 116.66 119.15 1vs7 n ARG 13 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 1vs7 n ARG 13 Cb 0.46 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 32.34 1vs7 n ARG 13 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1vs7 n LYS 14 N -0.08 -2.72 -3.20 5.56 0.00 -1.26 -5.07 118.16 111.39 1vs7 n LYS 14 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 1vs7 n LYS 14 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 1vs7 n LYS 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1vs7 n VAL 15 N -0.18 1.18 -1.02 0.58 0.31 -1.26 -5.11 118.33 112.83 1vs7 n VAL 15 Ca 0.00 -4.85 -0.34 0.00 -0.01 0.00 0.00 64.34 59.14 1vs7 n VAL 15 Cb 0.00 -1.52 0.11 0.00 -0.91 0.00 0.00 33.84 31.52 1vs7 n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vs7 n ALA 16 N 0.63 -1.49 -2.39 3.52 0.00 -1.26 -5.03 120.51 114.48 1vs7 n ALA 16 Ca 0.27 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1vs7 n ALA 16 Cb 0.49 -1.96 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 1vs7 n ALA 16 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1vs7 s LYS 17 N -3.54 1.48 -0.16 0.00 1.02 -1.26 -5.14 119.74 112.14 1vs7 s LYS 17 Ca 0.64 -1.76 -0.14 0.00 0.02 0.00 0.00 55.97 54.74 1vs7 s LYS 17 Cb -0.28 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.06 1vs7 s LYS 17 CO 0.60 -0.04 0.30 0.45 -0.92 0.00 0.00 175.35 175.74 1vs7 s SER 18 N -3.40 6.44 0.00 2.83 0.15 -1.26 -4.94 113.70 113.52 1vs7 s SER 18 Ca 0.30 0.51 0.12 0.00 0.70 0.00 0.00 55.95 57.58 1vs7 s SER 18 Cb 0.05 -2.19 0.73 0.00 -1.71 0.00 0.00 66.02 62.90 1vs7 s SER 18 CO 0.11 0.08 1.16 0.59 1.20 0.00 0.00 173.24 176.38 1vs7 n ASN 19 N 3.65 0.00 -3.37 5.45 4.13 -1.26 -3.80 115.26 120.06 1vs7 n ASN 19 Ca -0.11 -0.59 -0.27 0.00 1.68 0.00 0.00 54.58 55.29 1vs7 n ASN 19 Cb 0.52 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.66 1vs7 n ASN 19 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1vs7 n VAL 20 N -0.89 -1.18 -1.33 2.41 0.24 -1.26 -4.85 118.33 111.47 1vs7 n VAL 20 Ca 0.09 -3.44 -0.41 0.00 -2.04 0.00 0.00 64.34 58.55 1vs7 n VAL 20 Cb 0.04 -1.65 -0.06 0.00 -1.47 0.00 0.00 33.84 30.71 1vs7 n VAL 20 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1vs7 n PRO 21 N 2.74 1.52 -0.13 7.34 -0.04 -1.25 -4.60 135.00 140.58 1vs7 n PRO 21 Ca 0.29 -1.96 0.08 0.00 -0.04 0.00 0.00 63.50 61.86 1vs7 n PRO 21 Cb 0.48 -3.07 0.25 0.00 -0.04 0.00 0.00 33.50 31.12 1vs7 n PRO 21 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vs7 n ALA 22 N 8.80 2.48 -1.46 0.55 0.00 -1.26 -5.04 120.51 124.58 1vs7 n ALA 22 Ca 0.49 -0.57 0.17 0.00 0.00 0.00 0.00 53.44 53.54 1vs7 n ALA 22 Cb 0.42 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 1vs7 n ALA 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1vs7 n LEU 23 N 0.42 -1.04 0.00 0.00 7.94 -1.26 -4.59 117.00 118.47 1vs7 n LEU 23 Ca 0.13 2.43 0.00 0.00 -1.11 0.00 0.00 56.01 57.46 1vs7 n LEU 23 Cb 0.30 -3.13 0.00 0.00 0.53 0.00 0.00 43.42 41.12 1vs7 n LEU 23 CO 0.10 -2.16 0.00 -0.62 -1.11 0.00 0.00 177.39 173.60 1vs7 n GLU 24 N -4.37 0.00 -3.70 1.96 1.02 -1.26 -3.21 120.64 111.07 1vs7 n GLU 24 Ca -0.10 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.74 1vs7 n GLU 24 Cb 0.69 -3.19 0.03 0.00 -0.02 0.00 0.00 31.44 28.95 1vs7 n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vs7 n ALA 25 N 0.94 -2.60 -2.62 0.62 0.00 -1.26 -4.98 120.51 110.61 1vs7 n ALA 25 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 1vs7 n ALA 25 Cb 0.00 -3.18 -0.08 0.00 0.00 0.00 0.00 19.45 16.19 1vs7 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 h PRO 27 N 1.94 0.00 -3.04 0.00 0.13 -1.93 -3.46 132.00 125.64 1vs7 h PRO 27 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1vs7 h PRO 27 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1vs7 h PRO 27 CO 0.60 0.12 0.20 1.14 -0.23 0.00 0.00 178.00 179.83 1vs7 s GLN 28 N -4.52 1.51 0.05 0.86 0.00 -1.26 -4.66 119.66 111.65 1vs7 s GLN 28 Ca -0.04 -0.74 0.01 0.00 -0.00 0.00 0.00 55.36 54.59 1vs7 s GLN 28 Cb 0.15 0.59 -0.03 0.00 0.00 0.00 0.00 33.01 33.72 1vs7 s GLN 28 CO 0.63 -0.67 -0.06 0.21 0.00 0.00 0.00 175.29 175.40 1vs7 s LYS 29 N -3.84 0.58 0.44 9.60 2.47 -0.50 -4.95 119.74 123.54 1vs7 s LYS 29 Ca 0.06 -0.97 0.08 0.00 -1.56 0.00 0.00 55.97 53.58 1vs7 s LYS 29 Cb -0.03 -0.09 0.01 0.00 -1.46 0.00 0.00 37.83 36.26 1vs7 s LYS 29 CO -0.03 -0.02 0.54 0.50 0.16 0.00 0.00 175.35 176.50 1vs7 s ARG 30 N -2.62 2.68 0.00 4.03 3.52 -1.26 0.19 118.95 125.48 1vs7 s ARG 30 Ca -0.02 -1.39 0.00 0.00 -0.13 0.00 0.00 55.73 54.19 1vs7 s ARG 30 Cb -0.02 -2.62 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1vs7 s ARG 30 CO -0.03 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 1vs7 n GLY 31 N -1.81 0.91 0.00 8.12 0.00 -0.93 -1.83 105.19 109.65 1vs7 n GLY 31 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1vs7 n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vs7 n VAL 32 N -0.23 0.00 0.00 1.61 0.31 -1.13 -0.91 118.33 117.98 1vs7 n VAL 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1vs7 n VAL 32 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1vs7 n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vs7 h THR 34 N 0.00 0.97 -1.96 0.00 2.02 -1.05 -3.39 112.91 109.49 1vs7 h THR 34 Ca 0.00 -0.22 0.21 0.00 0.77 0.00 0.00 66.41 67.17 1vs7 h THR 34 Cb 0.00 0.26 -0.13 0.00 -1.74 0.00 0.00 68.15 66.54 1vs7 h THR 34 CO 0.00 0.12 0.63 -0.13 0.37 0.00 0.00 175.52 176.50 1vs7 s ARG 35 N -5.59 0.76 -0.36 6.66 1.81 -1.16 -4.93 118.95 116.14 1vs7 s ARG 35 Ca -0.09 -0.37 0.14 0.00 -1.72 0.00 0.00 55.73 53.69 1vs7 s ARG 35 Cb 0.20 0.29 0.44 0.00 -0.45 0.00 0.00 34.95 35.43 1vs7 s ARG 35 CO 0.77 -0.34 0.97 1.33 -0.68 0.00 0.00 175.30 177.34 1vs7 n VAL 36 N -0.35 1.25 -0.87 3.52 0.24 -1.26 0.20 118.33 121.06 1vs7 n VAL 36 Ca -0.06 -3.63 -0.04 0.00 -2.04 0.00 0.00 64.34 58.57 1vs7 n VAL 36 Cb 0.61 0.14 0.03 0.00 -1.47 0.00 0.00 33.84 33.15 1vs7 n VAL 36 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1vs7 n TYR 37 N -0.13 -3.59 -3.72 6.34 0.53 -1.18 -4.81 117.16 110.60 1vs7 n TYR 37 Ca 0.17 -0.14 -0.14 0.00 -1.02 0.00 0.00 57.90 56.77 1vs7 n TYR 37 Cb 0.76 -0.14 -0.14 0.00 -1.03 0.00 0.00 39.34 38.79 1vs7 n TYR 37 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1vs7 s THR 38 N -1.32 -0.11 0.48 -0.72 -4.23 -1.26 -1.69 115.64 106.77 1vs7 s THR 38 Ca 0.10 0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.87 1vs7 s THR 38 Cb -0.01 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 1vs7 s THR 38 CO 0.07 0.09 0.26 0.42 -0.54 0.00 0.00 174.62 174.91 1vs7 s THR 39 N 1.50 1.92 -0.12 3.99 -4.23 -0.89 -4.94 115.64 112.87 1vs7 s THR 39 Ca -0.06 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1vs7 s THR 39 Cb -0.11 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1vs7 s THR 39 CO -0.07 0.00 0.13 0.42 -0.54 0.00 0.00 174.62 174.56 1vs7 s THR 40 N -2.69 5.42 1.09 3.99 -4.23 -1.26 -2.46 115.64 115.50 1vs7 s THR 40 Ca 0.34 0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 60.86 1vs7 s THR 40 Cb 0.01 -3.36 0.24 0.00 1.34 0.00 0.00 72.50 70.72 1vs7 s THR 40 CO 0.20 0.61 1.16 -2.16 -0.54 0.00 0.00 174.62 173.89 1vs7 s PRO 41 N -0.97 -0.37 0.00 3.99 0.04 -1.26 -4.92 135.00 131.51 1vs7 s PRO 41 Ca 0.15 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1vs7 s PRO 41 Cb -0.12 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1vs7 s PRO 41 CO 0.04 -3.15 0.00 1.63 0.04 0.00 0.00 177.00 175.56 1vs7 n LYS 42 N -4.37 1.14 0.00 4.56 5.02 -0.63 -4.84 118.16 119.04 1vs7 n LYS 42 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1vs7 n LYS 42 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 1vs7 n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1vs7 n LYS 43 N -0.63 0.00 0.04 1.97 4.76 -1.26 -2.99 118.16 120.04 1vs7 n LYS 43 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 1vs7 n LYS 43 Cb 0.00 0.00 0.58 0.00 -1.84 0.00 0.00 35.03 33.77 1vs7 n LYS 43 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1vs7 h PRO 44 N 0.00 0.20 -6.12 1.97 0.13 -2.04 -3.43 132.00 122.73 1vs7 h PRO 44 Ca 0.00 -0.01 -0.77 0.00 -0.87 0.00 0.00 66.00 64.35 1vs7 h PRO 44 Cb 0.00 -0.05 0.02 0.00 0.13 0.00 0.00 31.00 31.10 1vs7 h PRO 44 CO 0.00 0.13 0.77 0.09 -0.23 0.00 0.00 178.00 178.77 1vs7 n ASN 45 N -4.46 1.93 -3.49 1.44 5.03 -1.16 -4.92 115.26 109.62 1vs7 n ASN 45 Ca 0.06 1.11 -0.27 0.00 0.87 0.00 0.00 54.58 56.34 1vs7 n ASN 45 Cb 0.33 -1.07 -0.11 0.00 -1.02 0.00 0.00 39.78 37.91 1vs7 n ASN 45 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1vs7 s SER 46 N 2.97 2.17 0.00 6.41 0.01 -1.26 -4.31 113.70 119.69 1vs7 s SER 46 Ca 0.98 -3.13 0.00 0.00 1.31 0.00 0.00 55.95 55.11 1vs7 s SER 46 Cb -1.17 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1vs7 s SER 46 CO 0.68 -0.17 0.00 0.00 0.41 0.00 0.00 173.24 174.16 1vs7 n ALA 47 N 2.79 0.00 -3.13 1.44 0.00 -1.26 -5.04 120.51 115.32 1vs7 n ALA 47 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1vs7 n ALA 47 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 1vs7 n ALA 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vs7 n LEU 48 N 0.00 4.63 -4.53 0.00 4.77 -1.26 -4.29 117.00 116.32 1vs7 n LEU 48 Ca 0.00 -5.52 -0.46 0.00 -0.03 0.00 0.00 56.01 50.01 1vs7 n LEU 48 Cb 0.00 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 1vs7 n LEU 48 CO 0.00 2.14 0.40 0.54 -1.33 0.00 0.00 177.39 179.14 1vs7 n ARG 49 N 0.38 0.94 -3.60 3.23 3.00 -1.03 -4.78 116.66 114.81 1vs7 n ARG 49 Ca 0.31 0.33 -0.40 0.00 -0.01 0.00 0.00 57.85 58.08 1vs7 n ARG 49 Cb 0.38 -1.59 -0.10 0.00 0.00 0.00 0.00 32.46 31.15 1vs7 n ARG 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1vs7 s LYS 50 N -1.37 2.67 0.49 5.56 1.02 -1.26 -2.10 119.74 124.75 1vs7 s LYS 50 Ca 0.60 -1.36 0.06 0.00 0.02 0.00 0.00 55.97 55.29 1vs7 s LYS 50 Cb -0.77 -3.78 0.06 0.00 -0.52 0.00 0.00 37.83 32.82 1vs7 s LYS 50 CO 0.59 -0.89 0.52 0.28 -0.92 0.00 0.00 175.35 174.92 1vs7 n VAL 51 N 4.95 0.00 -3.35 3.17 0.31 -0.68 -2.36 118.33 120.37 1vs7 n VAL 51 Ca -0.11 -1.78 0.02 0.00 -0.01 0.00 0.00 64.34 62.46 1vs7 n VAL 51 Cb 0.44 -0.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.99 1vs7 n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vs7 s ARG 53 N 2.01 4.16 0.01 0.00 0.52 0.13 -2.19 118.95 123.60 1vs7 s ARG 53 Ca -0.02 2.01 0.03 0.00 -0.52 0.00 0.00 55.73 57.22 1vs7 s ARG 53 Cb -0.03 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 1vs7 s ARG 53 CO -0.16 -0.28 -0.08 0.14 0.02 0.00 0.00 175.30 174.94 1vs7 s VAL 54 N -1.28 0.64 -0.80 3.52 -7.23 -0.80 -0.57 120.40 113.88 1vs7 s VAL 54 Ca 0.54 -0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 60.02 1vs7 s VAL 54 Cb -0.35 -0.58 0.21 0.00 0.56 0.00 0.00 36.38 36.22 1vs7 s VAL 54 CO 0.45 0.02 0.71 -0.60 -0.31 0.00 0.00 175.10 175.37 1vs7 s ARG 55 N -0.61 3.41 0.98 4.82 3.52 -1.26 -3.53 118.95 126.28 1vs7 s ARG 55 Ca -0.00 -2.53 -0.15 0.00 -0.13 0.00 0.00 55.73 52.91 1vs7 s ARG 55 Cb -0.05 -4.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.04 1vs7 s ARG 55 CO 0.00 -1.26 -0.06 1.28 -0.81 0.00 0.00 175.30 174.44 1vs7 n LEU 56 N 3.77 -2.25 0.25 -0.88 4.77 -1.13 -2.82 117.00 118.71 1vs7 n LEU 56 Ca 0.13 0.23 0.17 0.00 -0.03 0.00 0.00 56.01 56.52 1vs7 n LEU 56 Cb 0.44 -1.03 0.73 0.00 -2.33 0.00 0.00 43.42 41.24 1vs7 n LEU 56 CO 0.34 -4.27 0.99 0.71 -1.33 0.00 0.00 177.39 173.82 1vs7 h THR 57 N -1.42 0.00 -0.64 -5.08 1.35 -1.73 -2.52 112.91 102.87 1vs7 h THR 57 Ca -0.44 -0.35 -0.10 0.00 -0.55 0.00 0.00 66.41 64.97 1vs7 h THR 57 Cb 1.30 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 68.93 1vs7 h THR 57 CO 0.31 0.00 0.12 -0.46 -0.25 0.00 0.00 175.52 175.24 1vs7 n ASN 58 N -2.88 5.25 -3.01 5.36 6.94 -1.26 -4.95 115.26 120.71 1vs7 n ASN 58 Ca 0.00 -3.08 -0.10 0.00 -0.02 0.00 0.00 54.58 51.38 1vs7 n ASN 58 Cb 0.24 -0.71 0.05 0.00 -2.36 0.00 0.00 39.78 37.00 1vs7 n ASN 58 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vs7 n GLY 59 N 0.21 -0.99 3.03 4.83 0.00 -0.95 -5.04 105.19 106.28 1vs7 n GLY 59 Ca 0.34 0.47 -0.26 0.00 0.00 0.00 0.00 46.02 46.56 1vs7 n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vs7 s PHE 60 N -3.26 1.67 -1.25 1.61 0.40 -1.26 -4.97 117.98 110.92 1vs7 s PHE 60 Ca 0.30 -0.70 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 1vs7 s PHE 60 Cb -0.04 -1.23 0.18 0.00 0.51 0.00 0.00 43.02 42.44 1vs7 s PHE 60 CO 0.66 -0.37 1.73 -0.85 0.70 0.00 0.00 175.22 177.09 1vs7 n GLU 61 N 4.06 3.59 -4.07 0.44 0.00 -1.26 -2.85 120.64 120.54 1vs7 n GLU 61 Ca -0.20 -3.67 -0.29 0.00 0.00 0.00 0.00 57.16 53.00 1vs7 n GLU 61 Cb 0.51 -2.94 -0.06 0.00 0.00 0.00 0.00 31.44 28.95 1vs7 n GLU 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1vs7 s VAL 62 N 0.57 4.42 -0.13 3.84 -7.23 -1.23 -5.00 120.40 115.64 1vs7 s VAL 62 Ca 0.40 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1vs7 s VAL 62 Cb 0.06 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.80 1vs7 s VAL 62 CO 0.01 0.04 -0.06 0.42 -0.31 0.00 0.00 175.10 175.19 1vs7 s THR 63 N -1.51 3.69 0.24 5.32 -4.23 -1.26 -1.90 115.64 115.99 1vs7 s THR 63 Ca 0.29 -0.44 0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1vs7 s THR 63 Cb -0.11 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.10 1vs7 s THR 63 CO 0.22 0.53 -0.17 -0.55 -0.54 0.00 0.00 174.62 174.11 1vs7 s SER 64 N 0.05 3.78 0.11 3.99 0.15 -0.93 -3.82 113.70 117.03 1vs7 s SER 64 Ca -0.01 -0.86 -0.03 0.00 0.70 0.00 0.00 55.95 55.76 1vs7 s SER 64 Cb -0.14 -0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 63.69 1vs7 s SER 64 CO 0.03 0.07 0.30 -0.47 1.20 0.00 0.00 173.24 174.37 1vs7 s TYR 65 N -2.11 3.49 0.12 3.44 6.04 -0.99 -1.67 117.35 125.67 1vs7 s TYR 65 Ca 0.27 0.42 -0.05 0.00 0.04 0.00 0.00 57.07 57.75 1vs7 s TYR 65 Cb -0.07 -1.89 -0.05 0.00 -1.04 0.00 0.00 41.96 38.91 1vs7 s TYR 65 CO 0.14 0.50 0.35 0.42 -1.54 0.00 0.00 175.55 175.43 1vs7 s ILE 66 N -1.59 5.20 0.18 3.14 -1.09 -0.99 -1.91 121.20 124.13 1vs7 s ILE 66 Ca 0.38 0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.85 1vs7 s ILE 66 Cb -0.13 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1vs7 s ILE 66 CO 0.26 0.09 0.31 -0.83 -1.23 0.00 0.00 174.94 173.54 1vs7 s GLY 67 N -2.35 1.57 0.00 6.18 0.00 -1.26 -4.90 107.32 106.56 1vs7 s GLY 67 Ca 0.39 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1vs7 s GLY 67 CO 0.24 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1vs7 n GLY 68 N -0.79 1.68 3.06 0.20 0.00 -1.26 -4.81 105.19 103.27 1vs7 n GLY 68 Ca -0.07 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1vs7 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vs7 s GLU 69 N 0.00 0.47 0.00 1.61 8.01 -1.26 -4.90 118.70 122.63 1vs7 s GLU 69 Ca 0.00 -0.69 0.00 0.00 0.01 0.00 0.00 54.97 54.29 1vs7 s GLU 69 Cb 0.00 0.18 0.00 0.00 -4.31 0.00 0.00 34.13 30.00 1vs7 s GLU 69 CO 0.00 -0.10 0.00 0.41 0.01 0.00 0.00 175.26 175.58 1vs7 n GLY 70 N 1.13 0.74 3.57 -1.39 0.00 -1.26 -4.48 105.19 103.50 1vs7 n GLY 70 Ca -0.21 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 1vs7 n GLY 70 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vs7 s HIS 71 N -2.00 1.65 0.00 1.61 -3.43 -1.26 -4.90 115.29 106.96 1vs7 s HIS 71 Ca 0.00 1.03 0.00 0.00 -0.80 0.00 0.00 55.06 55.29 1vs7 s HIS 71 Cb 0.00 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 1vs7 s HIS 71 CO 0.00 -3.49 0.00 0.27 -2.00 0.00 0.00 174.74 169.52 1vs7 n ASN 72 N -4.62 0.00 -1.50 7.38 6.94 -1.26 -5.13 115.26 117.07 1vs7 n ASN 72 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1vs7 n ASN 72 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1vs7 n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1vs7 n LEU 73 N 0.00 -3.73 0.00 -4.53 4.77 -1.26 -5.08 117.00 107.16 1vs7 n LEU 73 Ca 0.00 2.76 0.00 0.00 -0.03 0.00 0.00 56.01 58.74 1vs7 n LEU 73 Cb 0.00 -2.56 0.00 0.00 -2.33 0.00 0.00 43.42 38.53 1vs7 n LEU 73 CO 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.05 1vs7 n GLN 74 N -0.35 0.00 -0.01 3.23 3.00 -1.26 -4.97 117.38 117.02 1vs7 n GLN 74 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1vs7 n GLN 74 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.14 1vs7 n GLN 74 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1vs7 n GLU 75 N 0.00 0.51 -3.17 -1.09 -0.00 -1.26 -4.30 120.64 111.34 1vs7 n GLU 75 Ca 0.00 -0.11 -0.21 0.00 -0.00 0.00 0.00 57.16 56.84 1vs7 n GLU 75 Cb 0.00 -1.31 -0.04 0.00 -0.00 0.00 0.00 31.44 30.09 1vs7 n GLU 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1vs7 n HIS 76 N -1.99 0.89 -3.66 -1.84 8.25 -1.26 -4.09 115.22 111.52 1vs7 n HIS 76 Ca -0.04 -3.81 -0.38 0.00 -0.26 0.00 0.00 57.72 53.23 1vs7 n HIS 76 Cb 0.38 -0.42 -0.09 0.00 1.12 0.00 0.00 29.99 30.97 1vs7 n HIS 76 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1vs7 s SER 77 N -2.30 5.49 -0.43 0.41 0.01 -1.26 -4.96 113.70 110.65 1vs7 s SER 77 Ca 0.40 -2.24 -0.28 0.00 1.31 0.00 0.00 55.95 55.14 1vs7 s SER 77 Cb 0.28 -1.92 -0.08 0.00 0.21 0.00 0.00 66.02 64.51 1vs7 s SER 77 CO -0.09 -0.55 2.36 0.52 0.41 0.00 0.00 173.24 175.88 1vs7 n VAL 78 N 4.39 0.08 -3.99 3.43 0.31 -1.26 -4.45 118.33 116.84 1vs7 n VAL 78 Ca -0.01 -0.57 -0.16 0.00 -0.01 0.00 0.00 64.34 63.60 1vs7 n VAL 78 Cb 0.41 -2.39 -0.01 0.00 -0.91 0.00 0.00 33.84 30.93 1vs7 n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1vs7 n ILE 79 N 7.79 0.00 -3.80 2.52 -5.35 -0.09 -0.80 119.36 119.63 1vs7 n ILE 79 Ca 0.38 -1.24 -0.26 0.00 -0.27 0.00 0.00 62.75 61.36 1vs7 n ILE 79 Cb 0.43 -0.04 -0.17 0.00 -1.74 0.00 0.00 39.64 38.12 1vs7 n ILE 79 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1vs7 s LEU 80 N 0.00 1.01 0.17 7.28 2.96 -1.26 -2.20 118.68 126.64 1vs7 s LEU 80 Ca 0.10 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 1vs7 s LEU 80 Cb -0.01 -0.62 -0.07 0.00 0.50 0.00 0.00 46.19 45.99 1vs7 s LEU 80 CO 0.06 -0.22 1.06 -0.63 -1.32 0.00 0.00 176.35 175.31 1vs7 s ILE 81 N 1.85 4.00 -0.20 6.68 -1.09 0.50 -1.68 121.20 131.26 1vs7 s ILE 81 Ca 0.03 1.75 0.06 0.00 -2.23 0.00 0.00 60.65 60.25 1vs7 s ILE 81 Cb -0.14 -4.12 -0.21 0.00 -1.58 0.00 0.00 42.46 36.41 1vs7 s ILE 81 CO -0.07 0.31 0.02 -1.14 -1.23 0.00 0.00 174.94 172.83 1vs7 n ARG 82 N 2.33 0.68 -0.49 2.79 0.63 0.33 -1.41 116.66 121.52 1vs7 n ARG 82 Ca 0.02 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1vs7 n ARG 82 Cb 0.47 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1vs7 n ARG 82 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vs7 n GLY 83 N 2.02 -1.25 0.00 5.14 0.00 -1.20 -4.59 105.19 105.31 1vs7 n GLY 83 Ca -0.38 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1vs7 n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vs7 n GLY 84 N 1.34 -0.07 3.31 -0.02 0.00 -0.71 -4.57 105.19 104.47 1vs7 n GLY 84 Ca 0.00 0.73 -0.33 0.00 0.00 0.00 0.00 46.02 46.42 1vs7 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs7 n ARG 85 N 0.00 -0.63 -3.81 1.61 1.74 0.75 -3.74 116.66 112.58 1vs7 n ARG 85 Ca 0.00 -0.16 -0.29 0.00 -0.77 0.00 0.00 57.85 56.63 1vs7 n ARG 85 Cb 0.00 -1.68 -0.16 0.00 -1.02 0.00 0.00 32.46 29.60 1vs7 n ARG 85 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1vs7 s VAL 86 N -2.29 0.97 -0.96 1.55 1.01 -1.12 -4.89 120.40 114.66 1vs7 s VAL 86 Ca 0.54 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 1vs7 s VAL 86 Cb -0.17 -1.44 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 1vs7 s VAL 86 CO 0.69 -0.26 1.93 1.17 0.00 0.00 0.00 175.10 178.62 1vs7 n LYS 87 N 4.87 1.64 0.00 2.72 4.81 -1.26 -2.01 118.16 128.92 1vs7 n LYS 87 Ca -0.08 -2.16 0.00 0.00 -0.87 0.00 0.00 58.31 55.20 1vs7 n LYS 87 Cb 0.45 -3.25 0.00 0.00 0.02 0.00 0.00 35.03 32.25 1vs7 n LYS 87 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1vs7 n ASP 88 N 10.08 0.00 -4.05 3.14 2.03 -1.26 -5.00 116.55 121.50 1vs7 n ASP 88 Ca 0.48 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.47 1vs7 n ASP 88 Cb 0.43 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.68 1vs7 n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1vs7 s LEU 89 N 0.00 3.76 -0.94 -2.67 2.01 -0.85 -1.61 118.68 118.38 1vs7 s LEU 89 Ca 0.00 -1.60 -0.24 0.00 0.01 0.00 0.00 54.13 52.30 1vs7 s LEU 89 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 46.19 44.62 1vs7 s LEU 89 CO 0.00 -0.25 1.88 -2.16 1.01 0.00 0.00 176.35 176.83 1vs7 s PRO 90 N 1.06 2.70 0.00 1.29 0.04 -1.26 -2.46 135.00 136.37 1vs7 s PRO 90 Ca -0.03 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1vs7 s PRO 90 Cb -0.20 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1vs7 s PRO 90 CO -0.06 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.14 1vs7 n GLY 91 N 6.79 1.29 3.59 0.56 0.00 -1.26 -5.10 105.19 111.06 1vs7 n GLY 91 Ca 0.40 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 1vs7 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vs7 s VAL 92 N 0.00 4.49 -0.25 1.61 1.01 -1.03 -4.58 120.40 121.65 1vs7 s VAL 92 Ca 0.00 1.03 0.06 0.00 0.00 0.00 0.00 61.98 63.06 1vs7 s VAL 92 Cb 0.00 -4.41 -0.06 0.00 0.00 0.00 0.00 36.38 31.91 1vs7 s VAL 92 CO 0.00 -0.72 0.23 0.54 0.00 0.00 0.00 175.10 175.15 1vs7 n ARG 93 N 7.08 4.93 -4.59 2.72 3.00 -1.25 -2.80 116.66 125.75 1vs7 n ARG 93 Ca 0.07 -0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.63 1vs7 n ARG 93 Cb 0.48 -0.78 -0.08 0.00 0.00 0.00 0.00 32.46 32.08 1vs7 n ARG 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1vs7 s TYR 94 N -1.56 1.86 0.28 -1.55 4.12 -1.25 -0.17 117.35 119.08 1vs7 s TYR 94 Ca 0.02 -1.13 0.03 0.00 0.02 0.00 0.00 57.07 56.01 1vs7 s TYR 94 Cb 0.04 -1.34 -0.06 0.00 -1.52 0.00 0.00 41.96 39.09 1vs7 s TYR 94 CO 0.23 -0.07 0.07 -1.01 0.02 0.00 0.00 175.55 174.78 1vs7 s HIS 95 N -3.09 1.73 -0.22 2.71 3.76 -1.26 -2.35 115.29 116.57 1vs7 s HIS 95 Ca 0.20 -1.05 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 1vs7 s HIS 95 Cb 0.03 -1.07 0.04 0.00 1.11 0.00 0.00 32.58 32.69 1vs7 s HIS 95 CO 0.11 -0.15 -0.15 0.95 -0.85 0.00 0.00 174.74 174.65 1vs7 s THR 96 N -3.51 2.18 -0.71 1.30 -4.23 -0.80 0.12 115.64 109.99 1vs7 s THR 96 Ca 0.36 -1.22 -0.27 0.00 -1.18 0.00 0.00 61.69 59.38 1vs7 s THR 96 Cb 0.08 -2.08 -0.14 0.00 1.34 0.00 0.00 72.50 71.70 1vs7 s THR 96 CO 0.14 0.29 2.52 1.33 -0.54 0.00 0.00 174.62 178.35 1vs7 n VAL 97 N 4.55 -0.05 -0.84 2.29 0.24 -0.68 -4.48 118.33 119.36 1vs7 n VAL 97 Ca -0.18 -0.48 -0.35 0.00 -2.04 0.00 0.00 64.34 61.29 1vs7 n VAL 97 Cb 0.47 -1.83 -0.05 0.00 -1.47 0.00 0.00 33.84 30.95 1vs7 n VAL 97 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1vs7 n ARG 98 N 8.71 1.21 0.00 7.34 3.00 -1.26 -2.64 116.66 133.02 1vs7 n ARG 98 Ca 0.49 -1.48 0.00 0.00 -0.00 0.00 0.00 57.85 56.86 1vs7 n ARG 98 Cb 0.34 -2.66 0.00 0.00 0.00 0.00 0.00 32.46 30.14 1vs7 n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vs7 n GLY 99 N 4.40 0.02 3.85 5.14 0.00 -0.03 0.10 105.19 118.67 1vs7 n GLY 99 Ca 0.43 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 1vs7 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs7 n ALA 100 N 0.00 -0.80 0.00 4.61 0.00 -1.00 -4.78 120.51 118.54 1vs7 n ALA 100 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1vs7 n ALA 100 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1vs7 n ALA 100 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vs7 n LEU 101 N 0.00 0.00 0.17 0.00 4.77 -1.26 -1.68 117.00 118.99 1vs7 n LEU 101 Ca 0.16 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.17 1vs7 n LEU 101 Cb 0.58 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.95 1vs7 n LEU 101 CO 0.41 0.00 0.62 0.44 -1.33 0.00 0.00 177.39 177.53 1vs7 h ASP 102 N 0.00 0.00 -0.48 -1.43 3.32 -1.30 -3.40 116.42 113.13 1vs7 h ASP 102 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1vs7 h ASP 102 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1vs7 h ASP 102 CO 0.00 0.46 0.27 0.00 -1.72 0.00 0.00 179.24 178.26 1vs7 n SER 104 N 17.04 -0.66 -4.04 0.00 3.41 -1.26 -0.85 113.62 127.26 1vs7 n SER 104 Ca 0.44 -0.03 -0.18 0.00 -0.26 0.00 0.00 58.87 58.85 1vs7 n SER 104 Cb 0.44 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.26 1vs7 n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1vs7 s GLY 105 N -1.39 0.49 0.29 5.00 0.00 -1.26 -1.20 107.32 109.26 1vs7 s GLY 105 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 44.72 43.94 1vs7 s GLY 105 CO 0.00 -0.47 0.83 -0.62 0.00 0.00 0.00 173.10 172.84 1vs7 n VAL 106 N 2.47 1.98 -3.97 1.40 0.31 -0.97 -4.95 118.33 114.60 1vs7 n VAL 106 Ca -0.16 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.42 1vs7 n VAL 106 Cb 0.56 -0.71 -0.03 0.00 -0.91 0.00 0.00 33.84 32.75 1vs7 n VAL 106 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1vs7 s LYS 107 N -1.45 3.35 0.00 5.55 2.36 -1.26 -4.39 119.74 123.89 1vs7 s LYS 107 Ca 0.61 -0.68 0.00 0.00 -2.55 0.00 0.00 55.97 53.34 1vs7 s LYS 107 Cb -0.73 -2.89 0.00 0.00 -1.05 0.00 0.00 37.83 33.15 1vs7 s LYS 107 CO 0.59 0.50 0.00 -0.25 1.55 0.00 0.00 175.35 177.73 1vs7 n ASP 108 N -0.70 -0.99 -4.77 1.43 10.43 -1.26 -5.01 116.55 115.69 1vs7 n ASP 108 Ca -0.08 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.89 1vs7 n ASP 108 Cb 0.55 -0.64 -0.06 0.00 1.84 0.00 0.00 41.12 42.81 1vs7 n ASP 108 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 1vs7 s ARG 109 N -0.24 4.56 0.00 -1.24 0.52 -1.26 -4.94 118.95 116.34 1vs7 s ARG 109 Ca 0.00 1.15 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 1vs7 s ARG 109 Cb 0.00 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1vs7 s ARG 109 CO 0.00 0.49 0.00 1.63 0.02 0.00 0.00 175.30 177.44 1vs7 n LYS 110 N 1.93 0.49 0.00 3.54 4.01 -1.26 -4.85 118.16 122.02 1vs7 n LYS 110 Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1vs7 n LYS 110 Cb 0.49 -0.82 0.00 0.00 -0.51 0.00 0.00 35.03 34.19 1vs7 n LYS 110 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1vs7 n GLN 111 N -2.02 0.00 -0.56 1.97 -0.06 -1.26 -3.90 117.38 111.55 1vs7 n GLN 111 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 1vs7 n GLN 111 Cb 0.32 -0.13 -0.05 0.00 -4.06 0.00 0.00 30.24 26.32 1vs7 n GLN 111 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vs7 n ALA 112 N -3.00 3.91 -0.07 1.69 0.00 -1.26 -4.60 120.51 117.18 1vs7 n ALA 112 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 53.44 52.11 1vs7 n ALA 112 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 19.45 16.88 1vs7 n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs7 h ARG 113 N 5.39 -0.03 -0.89 0.00 3.08 -1.89 -2.36 114.38 117.68 1vs7 h ARG 113 Ca 0.24 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.47 1vs7 h ARG 113 Cb 0.48 0.01 -0.17 0.00 0.08 0.00 0.00 29.97 30.37 1vs7 h ARG 113 CO 0.81 -0.02 -0.22 1.03 -1.07 0.00 0.00 179.97 180.50 1vs7 h SER 114 N -0.03 -0.82 -4.06 7.04 0.87 -1.81 -3.05 113.55 111.70 1vs7 h SER 114 Ca 0.14 0.27 -0.46 0.00 -1.23 0.00 0.00 61.79 60.51 1vs7 h SER 114 Cb 0.24 0.55 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1vs7 h SER 114 CO -0.31 -0.29 0.32 -0.54 -0.53 0.00 0.00 176.83 175.48 1vs7 s LYS 115 N -6.25 4.10 -1.00 2.24 1.02 -0.89 -3.56 119.74 115.41 1vs7 s LYS 115 Ca -0.15 1.00 0.00 0.00 0.02 0.00 0.00 55.97 56.84 1vs7 s LYS 115 Cb 0.25 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1vs7 s LYS 115 CO 0.77 -0.09 0.00 0.66 -0.92 0.00 0.00 175.35 175.76 1vs7 n TYR 116 N -0.95 -0.40 -1.34 3.18 4.02 -1.26 -4.53 117.16 115.89 1vs7 n TYR 116 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1vs7 n TYR 116 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 39.34 37.41 1vs7 n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vs7 n GLY 117 N -1.16 0.00 3.22 2.72 0.00 0.29 -2.29 105.19 107.97 1vs7 n GLY 117 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1vs7 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vs7 s VAL 118 N 0.00 -0.64 0.62 1.61 1.01 -1.15 -4.13 120.40 117.73 1vs7 s VAL 118 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 1vs7 s VAL 118 Cb 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1vs7 s VAL 118 CO 0.00 0.06 1.22 -0.54 0.00 0.00 0.00 175.10 175.84 1vs7 s LYS 119 N 2.60 2.79 0.25 2.72 -0.14 -1.26 -4.58 119.74 122.12 1vs7 s LYS 119 Ca -0.00 1.85 -0.31 0.00 -1.36 0.00 0.00 55.97 56.15 1vs7 s LYS 119 Cb -0.12 -1.90 -0.14 0.00 -1.68 0.00 0.00 37.83 33.99 1vs7 s LYS 119 CO -0.13 -1.35 1.34 -2.13 -0.76 0.00 0.00 175.35 172.32 1vs7 n ARG 120 N -1.81 1.91 0.00 1.68 3.00 -1.26 -4.98 116.66 115.20 1vs7 n ARG 120 Ca 0.14 0.68 0.00 0.00 -0.00 0.00 0.00 57.85 58.67 1vs7 n ARG 120 Cb 0.49 -2.29 0.00 0.00 0.00 0.00 0.00 32.46 30.67 1vs7 n ARG 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1vs7 n PRO 121 N 1.71 2.71 -3.15 -0.14 -0.04 -1.26 -5.06 135.00 129.76 1vs7 n PRO 121 Ca 0.11 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1vs7 n PRO 121 Cb 0.31 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1vs7 n PRO 121 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1vs7 s LYS 122 N 0.00 0.53 0.00 0.54 0.00 -1.26 -5.31 119.74 114.24 1vs7 s LYS 122 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 55.97 56.38 1vs7 s LYS 122 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 37.83 38.04 1vs7 s LYS 122 CO 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 175.35 174.39