#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g12 s TYR 2 N 0.00 3.59 -0.22 4.78 1.51 -1.26 -0.98 117.35 124.78 1g12 s TYR 2 Ca 0.00 0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 56.64 1g12 s TYR 2 Cb 0.00 -2.01 0.07 0.00 -0.11 0.00 0.00 41.96 39.91 1g12 s TYR 2 CO 0.00 0.63 0.04 1.21 -1.11 0.00 0.00 175.55 176.32 1g12 s ASN 3 N -1.58 3.16 -0.65 2.29 3.84 0.18 -4.81 114.94 117.37 1g12 s ASN 3 Ca 0.26 -0.97 0.00 0.00 0.21 0.00 0.00 52.86 52.36 1g12 s ASN 3 Cb -0.13 -0.67 0.00 0.00 -0.55 0.00 0.00 41.25 39.90 1g12 s ASN 3 CO 0.15 -0.32 0.00 0.61 -2.79 0.00 0.00 177.10 174.75 1g12 n GLY 4 N 5.00 0.66 3.62 1.21 0.00 -1.26 -0.89 105.19 113.52 1g12 n GLY 4 Ca -0.08 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1g12 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g12 s SER 6 N 0.48 2.94 0.21 0.00 1.04 -1.26 -4.74 113.70 112.37 1g12 s SER 6 Ca 0.03 1.13 -0.10 0.00 0.48 0.00 0.00 55.95 57.50 1g12 s SER 6 Cb -0.13 -1.77 0.23 0.00 0.10 0.00 0.00 66.02 64.44 1g12 s SER 6 CO 0.01 -2.92 1.81 0.77 0.98 0.00 0.00 173.24 173.89 1g12 h SER 7 N -1.75 0.57 -0.65 7.02 4.64 -1.99 -0.62 113.55 120.77 1g12 h SER 7 Ca -0.53 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 1g12 h SER 7 Cb 1.33 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 1g12 h SER 7 CO 0.59 0.37 0.21 0.77 -0.87 0.00 0.00 176.83 177.90 1g12 h SER 8 N 0.70 0.96 -0.36 4.97 4.64 -1.99 -1.72 113.55 120.75 1g12 h SER 8 Ca 0.29 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1g12 h SER 8 Cb 0.16 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1g12 h SER 8 CO -0.17 0.90 -0.13 -0.33 -0.87 0.00 0.00 176.83 176.23 1g12 h GLU 9 N 1.00 0.82 -0.61 4.77 5.08 -1.70 -1.30 114.58 122.63 1g12 h GLU 9 Ca 0.22 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1g12 h GLU 9 Cb 0.29 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1g12 h GLU 9 CO -0.01 0.90 0.08 1.96 -1.00 0.00 0.00 179.01 180.95 1g12 h GLN 10 N 0.73 1.02 -0.49 2.33 4.20 -0.75 -0.22 115.11 121.94 1g12 h GLN 10 Ca 0.12 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1g12 h GLN 10 Cb 0.63 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1g12 h GLN 10 CO 0.04 0.97 0.05 0.77 -0.67 0.00 0.00 178.83 179.99 1g12 h SER 11 N 0.93 0.80 -0.63 1.46 0.02 -1.09 -0.87 113.55 114.17 1g12 h SER 11 Ca 0.18 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1g12 h SER 11 Cb 0.45 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1g12 h SER 11 CO 0.02 0.88 0.04 0.00 -1.14 0.00 0.00 176.83 176.62 1g12 h ALA 12 N 0.95 0.87 -0.56 3.77 0.00 -1.05 -2.58 119.26 120.67 1g12 h ALA 12 Ca 0.15 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1g12 h ALA 12 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1g12 h ALA 12 CO 0.01 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 1g12 h LEU 13 N 1.00 0.96 -0.66 0.00 3.38 -0.83 -0.05 115.31 119.11 1g12 h LEU 13 Ca 0.18 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1g12 h LEU 13 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1g12 h LEU 13 CO 0.02 1.02 0.41 0.00 0.09 0.00 0.00 178.44 179.99 1g12 h ALA 14 N 1.08 0.84 -0.29 1.53 0.00 -0.97 0.19 119.26 121.63 1g12 h ALA 14 Ca 0.16 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1g12 h ALA 14 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1g12 h ALA 14 CO 0.03 0.30 -0.25 0.00 0.00 0.00 0.00 179.25 179.33 1g12 h ALA 15 N 1.22 0.43 -0.73 0.00 0.00 -1.24 -2.82 119.26 116.11 1g12 h ALA 15 Ca 0.24 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1g12 h ALA 15 Cb -0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1g12 h ALA 15 CO -0.05 0.41 0.27 0.00 0.00 0.00 0.00 179.25 179.88 1g12 h ALA 16 N 0.72 0.95 -0.60 0.00 0.00 -0.67 -1.53 119.26 118.14 1g12 h ALA 16 Ca 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1g12 h ALA 16 Cb 0.81 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1g12 h ALA 16 CO 0.06 0.59 0.28 0.00 0.00 0.00 0.00 179.25 180.19 1g12 h ALA 17 N 1.13 0.77 -0.51 0.00 0.00 -0.61 0.14 119.26 120.18 1g12 h ALA 17 Ca 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1g12 h ALA 17 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1g12 h ALA 17 CO -0.02 0.33 -0.15 0.77 0.00 0.00 0.00 179.25 180.19 1g12 h SER 18 N 0.81 1.01 -0.31 0.00 0.02 -1.32 -1.50 113.55 112.26 1g12 h SER 18 Ca 0.20 -0.37 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 1g12 h SER 18 Cb 0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1g12 h SER 18 CO -0.03 1.15 -0.23 0.00 -1.14 0.00 0.00 176.83 176.58 1g12 h ALA 19 N 0.89 0.85 -0.61 3.77 0.00 -1.03 -2.23 119.26 120.91 1g12 h ALA 19 Ca 0.13 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1g12 h ALA 19 Cb 0.72 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1g12 h ALA 19 CO 0.06 0.64 0.08 0.00 0.00 0.00 0.00 179.25 180.02 1g12 h ALA 20 N 1.05 0.99 -0.82 0.00 0.00 -0.52 0.09 119.26 120.06 1g12 h ALA 20 Ca 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1g12 h ALA 20 Cb 0.74 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1g12 h ALA 20 CO 0.06 0.63 0.40 0.37 0.00 0.00 0.00 179.25 180.71 1g12 h GLN 21 N 0.93 1.19 -0.46 0.00 5.75 -1.04 -1.01 115.11 120.47 1g12 h GLN 21 Ca 0.18 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 1g12 h GLN 21 Cb 0.43 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1g12 h GLN 21 CO 0.01 0.91 0.06 1.03 -2.65 0.00 0.00 178.83 178.20 1g12 h SER 22 N 1.17 0.74 -0.04 -0.69 0.87 -0.88 -0.87 113.55 113.85 1g12 h SER 22 Ca 0.28 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1g12 h SER 22 Cb 0.12 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1g12 h SER 22 CO -0.04 0.82 -0.08 1.88 -0.53 0.00 0.00 176.83 178.88 1g12 h TYR 23 N 0.63 -0.21 -0.75 2.24 0.05 -0.50 -0.65 116.97 117.78 1g12 h TYR 23 Ca 0.14 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1g12 h TYR 23 Cb 0.40 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 1g12 h TYR 23 CO 0.03 -0.13 0.38 0.28 -1.05 0.00 0.00 178.16 177.67 1g12 h VAL 24 N -0.13 1.23 -0.06 -2.88 2.07 -1.10 -0.45 116.25 114.95 1g12 h VAL 24 Ca 0.05 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1g12 h VAL 24 Cb 0.19 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1g12 h VAL 24 CO -0.11 0.27 0.03 0.00 0.02 0.00 0.00 177.57 177.78 1g12 h ALA 25 N 1.19 0.07 -0.60 1.67 0.00 -0.81 0.37 119.26 121.16 1g12 h ALA 25 Ca 0.26 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1g12 h ALA 25 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1g12 h ALA 25 CO -0.04 -0.42 -0.00 1.49 0.00 0.00 0.00 179.25 180.29 1g12 h GLU 26 N 0.05 1.05 -0.56 0.00 4.22 -1.02 -1.84 114.58 116.49 1g12 h GLU 26 Ca 0.02 -0.33 -0.05 0.00 0.08 0.00 0.00 59.36 59.08 1g12 h GLU 26 Cb 0.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1g12 h GLU 26 CO -0.00 1.02 0.15 0.77 -2.18 0.00 0.00 179.01 178.77 1g12 h SER 27 N 0.96 0.83 -0.36 1.04 0.02 -0.85 -0.62 113.55 114.57 1g12 h SER 27 Ca 0.17 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1g12 h SER 27 Cb 0.55 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1g12 h SER 27 CO 0.03 0.83 0.17 0.25 -1.14 0.00 0.00 176.83 176.98 1g12 h LEU 28 N 0.79 0.47 -0.65 5.07 5.85 -0.76 -1.90 115.31 124.18 1g12 h LEU 28 Ca 0.18 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1g12 h LEU 28 Cb 0.31 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1g12 h LEU 28 CO -0.00 0.46 0.41 -1.28 -0.34 0.00 0.00 178.44 177.69 1g12 h SER 29 N 0.44 0.67 -0.22 1.25 0.87 -1.10 -1.46 113.55 114.01 1g12 h SER 29 Ca 0.12 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1g12 h SER 29 Cb 0.12 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1g12 h SER 29 CO -0.02 0.47 0.03 0.22 -0.53 0.00 0.00 176.83 177.00 1g12 h TYR 30 N 0.80 0.05 0.00 2.24 3.20 -0.80 -1.82 116.97 120.64 1g12 h TYR 30 Ca 0.26 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 1g12 h TYR 30 Cb 0.01 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1g12 h TYR 30 CO -0.05 0.01 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.27 1g12 h LEU 31 N 0.11 0.00 -0.35 2.82 3.38 -0.86 -1.02 115.31 119.39 1g12 h LEU 31 Ca 0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1g12 h LEU 31 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1g12 h LEU 31 CO -0.14 0.14 -0.77 1.56 0.09 0.00 0.00 178.44 179.33 1g12 h GLN 32 N 0.00 0.00 0.00 1.13 4.20 -0.50 -3.32 115.11 116.62 1g12 h GLN 32 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1g12 h GLN 32 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1g12 h GLN 32 CO 0.02 0.77 -1.26 0.25 -0.67 0.00 0.00 178.83 177.94 1g12 n THR 33 N -3.51 0.00 -3.81 -0.54 -2.24 -0.76 -4.78 114.28 98.64 1g12 n THR 33 Ca -0.00 -0.14 -0.36 0.00 -2.27 0.00 0.00 64.05 61.28 1g12 n THR 33 Cb 0.77 0.71 -0.12 0.00 -2.10 0.00 0.00 70.33 69.58 1g12 n THR 33 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1g12 s HIS 34 N -3.14 3.38 -0.30 4.78 3.76 -0.42 -4.95 115.29 118.40 1g12 s HIS 34 Ca 0.04 -1.95 0.08 0.00 -0.15 0.00 0.00 55.06 53.08 1g12 s HIS 34 Cb 0.15 -2.60 0.47 0.00 1.11 0.00 0.00 32.58 31.71 1g12 s HIS 34 CO 0.88 -0.85 1.37 0.25 -0.85 0.00 0.00 174.74 175.53 1g12 n THR 35 N 4.67 2.55 -3.69 1.30 -2.24 -1.26 -4.76 114.28 110.86 1g12 n THR 35 Ca -0.09 -3.34 -0.10 0.00 -2.27 0.00 0.00 64.05 58.25 1g12 n THR 35 Cb 0.43 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1g12 n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g12 s ALA 36 N -3.40 -1.12 0.21 6.98 0.00 -1.26 -5.05 121.76 118.12 1g12 s ALA 36 Ca 0.47 -0.08 -0.32 0.00 0.00 0.00 0.00 51.96 52.02 1g12 s ALA 36 Cb 0.41 0.86 -0.14 0.00 0.00 0.00 0.00 23.12 24.25 1g12 s ALA 36 CO -0.01 -0.83 1.47 0.00 0.00 0.00 0.00 175.76 176.39 1g12 n ALA 37 N -0.37 1.16 -2.51 0.00 0.00 -1.26 -5.01 120.51 112.52 1g12 n ALA 37 Ca -0.11 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.67 1g12 n ALA 37 Cb 0.62 -2.30 -0.09 0.00 0.00 0.00 0.00 19.45 17.69 1g12 n ALA 37 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g12 s THR 38 N 0.30 0.16 0.14 0.00 -4.23 -1.26 -5.04 115.64 105.70 1g12 s THR 38 Ca 0.72 -1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.74 1g12 s THR 38 Cb -0.67 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.00 1g12 s THR 38 CO 0.45 -0.72 1.69 -0.65 -0.54 0.00 0.00 174.62 174.86 1g12 h PRO 39 N 3.26 0.01 -0.94 3.99 0.11 -1.94 -1.24 132.00 135.25 1g12 h PRO 39 Ca -0.33 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.80 1g12 h PRO 39 Cb 1.18 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1g12 h PRO 39 CO 0.56 0.01 0.61 -0.09 -0.21 0.00 0.00 178.00 178.88 1g12 h ARG 40 N 0.01 1.18 0.43 1.05 2.43 -1.35 -1.26 114.38 116.88 1g12 h ARG 40 Ca 0.13 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1g12 h ARG 40 Cb 0.20 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1g12 h ARG 40 CO -0.27 0.78 -0.21 -0.92 -1.51 0.00 0.00 179.97 177.84 1g12 h TYR 41 N 1.22 -0.54 -0.18 2.20 3.20 -1.73 -3.29 116.97 117.85 1g12 h TYR 41 Ca 0.36 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.20 1g12 h TYR 41 Cb -0.07 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1g12 h TYR 41 CO -0.01 -0.24 0.03 1.79 -1.64 0.00 0.00 178.16 178.09 1g12 h THR 42 N -1.06 1.10 -0.76 1.81 1.35 -1.20 0.32 112.91 114.47 1g12 h THR 42 Ca -0.06 -0.36 0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1g12 h THR 42 Cb 0.54 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 67.84 1g12 h THR 42 CO 0.10 0.12 0.51 0.74 -0.25 0.00 0.00 175.52 176.74 1g12 h THR 43 N 0.26 1.19 0.00 6.82 2.02 -1.33 -0.47 112.91 121.40 1g12 h THR 43 Ca 0.06 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 1g12 h THR 43 Cb 0.12 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 1g12 h THR 43 CO -0.00 0.19 -1.88 0.79 0.37 0.00 0.00 175.52 174.98 1g12 n TRP 44 N -4.42 0.00 0.06 3.16 7.02 -0.93 -4.52 117.44 117.81 1g12 n TRP 44 Ca 0.08 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.57 1g12 n TRP 44 Cb 0.03 -0.56 0.01 0.00 -2.42 0.00 0.00 31.31 28.38 1g12 n TRP 44 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1g12 n PHE 45 N -2.31 0.02 -4.05 -5.99 0.99 0.11 -4.65 117.46 101.58 1g12 n PHE 45 Ca -0.14 -0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.20 1g12 n PHE 45 Cb 0.71 -0.01 -0.00 0.00 -1.00 0.00 0.00 39.48 39.17 1g12 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1g12 n GLY 46 N 0.02 -2.00 3.58 1.37 0.00 -0.19 -4.72 105.19 103.26 1g12 n GLY 46 Ca 0.01 -1.39 -0.50 0.00 0.00 0.00 0.00 46.02 44.14 1g12 n GLY 46 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g12 n SER 47 N 0.60 1.48 -4.67 1.61 7.64 -1.26 -4.02 113.62 114.99 1g12 n SER 47 Ca 0.00 1.13 -0.42 0.00 1.01 0.00 0.00 58.87 60.59 1g12 n SER 47 Cb 0.00 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 61.97 1g12 n SER 47 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1g12 s TYR 48 N 0.12 2.77 -0.03 1.43 5.04 -1.26 -5.00 117.35 120.42 1g12 s TYR 48 Ca 0.78 0.86 -0.02 0.00 -2.44 0.00 0.00 57.07 56.25 1g12 s TYR 48 Cb -0.90 -3.60 0.01 0.00 0.35 0.00 0.00 41.96 37.82 1g12 s TYR 48 CO 0.50 -2.18 0.07 0.96 -1.34 0.00 0.00 175.55 173.55 1g12 s ILE 49 N 3.06 -0.00 0.29 3.14 -4.36 -1.26 -4.90 121.20 117.16 1g12 s ILE 49 Ca 0.60 0.02 0.03 0.00 -0.26 0.00 0.00 60.65 61.04 1g12 s ILE 49 Cb -0.27 -0.11 0.27 0.00 1.25 0.00 0.00 42.46 43.61 1g12 s ILE 49 CO 0.22 0.01 1.75 0.28 0.24 0.00 0.00 174.94 177.43 1g12 h SER 50 N 6.14 0.56 0.10 4.36 0.02 -1.96 -1.45 113.55 121.31 1g12 h SER 50 Ca -0.26 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1g12 h SER 50 Cb 1.20 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 1g12 h SER 50 CO 0.47 0.17 -0.28 -1.28 -1.14 0.00 0.00 176.83 174.77 1g12 h SER 51 N 0.60 -0.80 -0.04 3.07 0.87 -1.99 0.97 113.55 116.22 1g12 h SER 51 Ca 0.53 0.10 -0.12 0.00 -1.23 0.00 0.00 61.79 61.07 1g12 h SER 51 Cb 0.87 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1g12 h SER 51 CO -0.42 -0.36 -0.34 0.03 -0.53 0.00 0.00 176.83 175.21 1g12 h ARG 52 N -0.48 0.52 -0.66 2.24 3.08 -1.89 -1.94 114.38 115.25 1g12 h ARG 52 Ca 0.04 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 1g12 h ARG 52 Cb 0.52 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1g12 h ARG 52 CO -0.18 0.80 0.21 1.25 -1.07 0.00 0.00 179.97 180.98 1g12 h HIS 53 N 0.44 1.03 -0.66 3.04 2.76 -0.93 -1.81 115.15 119.02 1g12 h HIS 53 Ca 0.05 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 1g12 h HIS 53 Cb 0.81 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1g12 h HIS 53 CO 0.03 0.82 0.19 0.77 -1.30 0.00 0.00 177.93 178.44 1g12 h SER 54 N 0.97 0.96 0.28 3.26 0.02 -0.47 0.11 113.55 118.68 1g12 h SER 54 Ca 0.22 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1g12 h SER 54 Cb 0.27 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1g12 h SER 54 CO -0.01 0.91 -0.13 0.74 -1.14 0.00 0.00 176.83 177.20 1g12 h THR 55 N 0.99 0.73 -0.27 -2.27 2.02 -0.66 0.15 112.91 113.60 1g12 h THR 55 Ca 0.21 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 67.24 1g12 h THR 55 Cb 0.31 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1g12 h THR 55 CO -0.00 0.01 -0.31 -0.37 0.37 0.00 0.00 175.52 175.21 1g12 h VAL 56 N -0.40 1.28 -0.94 3.16 -1.51 -1.25 -1.87 116.25 114.73 1g12 h VAL 56 Ca -0.04 -1.42 -0.00 0.00 -1.23 0.00 0.00 66.70 64.01 1g12 h VAL 56 Cb 0.30 1.42 -0.05 0.00 -2.13 0.00 0.00 31.29 30.84 1g12 h VAL 56 CO 0.06 0.45 0.57 0.25 -1.23 0.00 0.00 177.57 177.68 1g12 h LEU 57 N 0.48 1.11 -0.37 4.19 5.85 -0.78 -1.63 115.31 124.17 1g12 h LEU 57 Ca 0.06 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1g12 h LEU 57 Cb 0.78 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1g12 h LEU 57 CO 0.06 0.85 0.04 -0.61 -0.34 0.00 0.00 178.44 178.44 1g12 h GLN 58 N 1.29 0.63 -0.45 1.25 5.75 -0.63 -0.62 115.11 122.32 1g12 h GLN 58 Ca 0.34 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.71 1g12 h GLN 58 Cb -0.07 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 1g12 h GLN 58 CO -0.07 0.71 0.19 0.45 -2.65 0.00 0.00 178.83 177.46 1g12 h HIS 59 N 0.46 0.35 -0.01 3.99 3.86 -0.82 -0.69 115.15 122.29 1g12 h HIS 59 Ca 0.11 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.20 1g12 h HIS 59 Cb 0.39 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1g12 h HIS 59 CO 0.03 0.15 -0.67 1.88 0.86 0.00 0.00 177.93 180.18 1g12 h TYR 60 N 0.39 0.05 -0.65 2.45 -1.99 -1.17 -0.47 116.97 115.58 1g12 h TYR 60 Ca 0.21 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.84 1g12 h TYR 60 Cb 0.17 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 1g12 h TYR 60 CO -0.13 0.70 0.11 1.15 -0.00 0.00 0.00 178.16 179.99 1g12 h THR 61 N 0.03 1.26 -0.15 -2.88 2.02 -0.67 0.68 112.91 113.20 1g12 h THR 61 Ca -0.01 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 1g12 h THR 61 Cb 1.19 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1g12 h THR 61 CO 0.09 0.38 -0.17 0.44 0.37 0.00 0.00 175.52 176.63 1g12 h ASP 62 N 0.99 0.41 -0.12 4.18 3.32 -0.94 -3.08 116.42 121.18 1g12 h ASP 62 Ca 0.20 -0.50 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 1g12 h ASP 62 Cb 0.43 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1g12 h ASP 62 CO 0.01 0.82 -0.07 0.24 -1.72 0.00 0.00 179.24 178.53 1g12 h MET 63 N 0.00 0.41 0.00 3.56 2.86 -0.98 -2.00 114.93 118.79 1g12 h MET 63 Ca 0.02 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1g12 h MET 63 Cb 0.72 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1g12 h MET 63 CO 0.04 0.49 -0.15 -0.97 1.06 0.00 0.00 176.91 177.38 1g12 h ASN 64 N 0.39 0.00 0.44 1.22 -1.24 -0.83 -1.31 115.58 114.25 1g12 h ASN 64 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.09 1g12 h ASN 64 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1g12 h ASN 64 CO 0.02 0.15 -0.11 -1.54 -1.29 0.00 0.00 177.43 174.66 1g12 n SER 65 N -3.85 0.38 -4.82 1.15 3.41 -0.76 -4.82 113.62 104.31 1g12 n SER 65 Ca -0.02 -0.42 -0.33 0.00 -0.26 0.00 0.00 58.87 57.84 1g12 n SER 65 Cb 0.25 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1g12 n SER 65 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1g12 s ASN 66 N -2.56 6.92 -0.56 4.04 0.02 -0.50 -5.02 114.94 117.29 1g12 s ASN 66 Ca 0.27 1.69 -0.04 0.00 -1.02 0.00 0.00 52.86 53.75 1g12 s ASN 66 Cb 0.20 -2.54 0.15 0.00 0.02 0.00 0.00 41.25 39.07 1g12 s ASN 66 CO 0.49 -0.37 0.38 -0.62 0.02 0.00 0.00 177.10 177.00 1g12 s ASP 67 N -2.22 5.41 0.39 -1.22 3.68 -1.26 -4.95 116.67 116.50 1g12 s ASP 67 Ca 0.62 -2.49 0.10 0.00 2.13 0.00 0.00 52.55 52.91 1g12 s ASP 67 Cb -0.09 -1.89 0.88 0.00 -1.45 0.00 0.00 42.92 40.37 1g12 s ASP 67 CO 0.14 -0.48 1.96 -0.26 0.13 0.00 0.00 175.17 176.66 1g12 h PHE 68 N 7.56 0.62 0.00 -5.34 -1.00 -1.92 -1.25 116.94 115.60 1g12 h PHE 68 Ca -0.07 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1g12 h PHE 68 Cb 1.00 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 40.36 1g12 h PHE 68 CO 0.68 0.30 0.00 0.66 -1.61 0.00 0.00 178.31 178.34 1g12 h SER 69 N 0.59 0.00 -0.37 2.17 4.64 -1.93 -2.19 113.55 116.46 1g12 h SER 69 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1g12 h SER 69 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1g12 h SER 69 CO -0.10 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.32 1g12 n SER 70 N -2.68 3.43 -4.75 4.97 3.41 -0.48 -4.97 113.62 112.55 1g12 n SER 70 Ca 0.01 -1.99 -0.34 0.00 -0.26 0.00 0.00 58.87 56.29 1g12 n SER 70 Cb 0.22 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1g12 n SER 70 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1g12 s TYR 71 N -1.49 2.41 -0.09 7.33 4.12 -0.83 -4.63 117.35 124.18 1g12 s TYR 71 Ca 0.38 1.56 -0.14 0.00 0.02 0.00 0.00 57.07 58.88 1g12 s TYR 71 Cb 0.22 -3.33 -0.05 0.00 -1.52 0.00 0.00 41.96 37.28 1g12 s TYR 71 CO 0.31 -2.04 0.35 -1.12 0.02 0.00 0.00 175.55 173.07 1g12 s SER 72 N -2.12 6.61 0.01 2.29 0.01 0.19 -3.86 113.70 116.83 1g12 s SER 72 Ca 0.72 0.72 0.08 0.00 1.31 0.00 0.00 55.95 58.78 1g12 s SER 72 Cb -0.25 -2.22 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1g12 s SER 72 CO 0.39 0.19 -0.24 -0.36 0.41 0.00 0.00 173.24 173.62 1g12 s PHE 73 N -0.19 2.38 -0.11 2.43 0.40 -0.15 -0.83 117.98 121.91 1g12 s PHE 73 Ca 0.21 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1g12 s PHE 73 Cb -0.15 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1g12 s PHE 73 CO 0.08 0.08 -0.11 0.34 0.70 0.00 0.00 175.22 176.31 1g12 s ASP 74 N -0.97 2.26 -0.32 1.36 -1.08 -0.24 -0.64 116.67 117.03 1g12 s ASP 74 Ca 0.11 -0.37 0.08 0.00 -0.52 0.00 0.00 52.55 51.86 1g12 s ASP 74 Cb -0.10 -0.96 0.54 0.00 -1.46 0.00 0.00 42.92 40.94 1g12 s ASP 74 CO 0.01 -0.05 1.55 0.00 0.52 0.00 0.00 175.17 177.21 1g12 h THR 76 N 1.06 1.55 -3.27 0.00 1.35 -1.75 -3.45 112.91 108.41 1g12 h THR 76 Ca 0.29 -2.98 -0.53 0.00 -0.55 0.00 0.00 66.41 62.64 1g12 h THR 76 Cb 1.89 2.74 0.06 0.00 -1.73 0.00 0.00 68.15 71.11 1g12 h THR 76 CO 0.52 0.87 0.81 0.00 -0.25 0.00 0.00 175.52 177.47 1g12 n THR 78 N 2.60 1.89 -2.01 0.00 -2.24 -1.26 -3.83 114.28 109.43 1g12 n THR 78 Ca 0.08 -2.20 -0.43 0.00 -2.27 0.00 0.00 64.05 59.24 1g12 n THR 78 Cb 0.39 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1g12 n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g12 s ALA 79 N -2.81 3.43 0.28 6.98 0.00 -1.26 -4.33 121.76 124.05 1g12 s ALA 79 Ca 0.32 0.77 0.15 0.00 0.00 0.00 0.00 51.96 53.20 1g12 s ALA 79 Cb 0.28 -3.81 0.67 0.00 0.00 0.00 0.00 23.12 20.25 1g12 s ALA 79 CO 0.03 -1.69 1.76 0.00 0.00 0.00 0.00 175.76 175.86 1g12 h ALA 80 N 10.34 1.14 0.00 0.00 0.00 -1.94 -0.06 119.26 128.74 1g12 h ALA 80 Ca -0.38 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1g12 h ALA 80 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1g12 h ALA 80 CO 0.97 0.53 -0.37 0.78 0.00 0.00 0.00 179.25 181.15 1g12 h GLY 81 N 1.60 0.00 -5.53 0.00 0.00 -1.96 -3.26 103.07 93.91 1g12 h GLY 81 Ca -0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.66 1g12 h GLY 81 CO 0.05 0.00 -0.58 -1.59 0.00 0.00 0.00 176.54 174.42 1g12 s THR 82 N -3.16 4.64 -0.15 4.70 2.01 -1.18 -4.94 115.64 117.56 1g12 s THR 82 Ca 0.07 -0.11 -0.26 0.00 0.31 0.00 0.00 61.69 61.70 1g12 s THR 82 Cb 0.12 -3.00 -0.23 0.00 0.01 0.00 0.00 72.50 69.40 1g12 s THR 82 CO 0.68 0.58 0.64 -0.26 -0.69 0.00 0.00 174.62 175.56 1g12 h PHE 83 N 5.45 0.00 -2.25 4.92 -1.00 -1.89 -2.83 116.94 119.35 1g12 h PHE 83 Ca -0.48 0.00 0.21 0.00 2.81 0.00 0.00 57.97 60.51 1g12 h PHE 83 Cb 1.20 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.69 1g12 h PHE 83 CO 0.64 0.99 0.62 0.00 -1.61 0.00 0.00 178.31 178.96 1g12 s ALA 84 N -2.27 -1.80 0.16 2.45 0.00 -1.26 -1.62 121.76 117.42 1g12 s ALA 84 Ca -0.19 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 1g12 s ALA 84 Cb -0.02 0.67 0.05 0.00 0.00 0.00 0.00 23.12 23.82 1g12 s ALA 84 CO 0.63 -1.06 0.52 1.52 0.00 0.00 0.00 175.76 177.36 1g12 s TYR 85 N -2.55 -0.32 0.21 0.00 -0.85 0.13 -4.94 117.35 109.02 1g12 s TYR 85 Ca 0.18 0.04 -0.09 0.00 -0.52 0.00 0.00 57.07 56.69 1g12 s TYR 85 Cb -0.01 0.43 -0.01 0.00 0.38 0.00 0.00 41.96 42.75 1g12 s TYR 85 CO 0.02 -0.83 0.32 0.14 -1.52 0.00 0.00 175.55 173.69 1g12 s VAL 86 N -3.80 0.02 -0.30 -3.49 -7.23 -1.26 -1.10 120.40 103.25 1g12 s VAL 86 Ca 0.04 -1.54 -0.08 0.00 -1.81 0.00 0.00 61.98 58.59 1g12 s VAL 86 Cb -0.00 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1g12 s VAL 86 CO -0.10 -0.11 0.10 -0.31 -0.31 0.00 0.00 175.10 174.37 1g12 s TYR 87 N -4.03 3.15 0.42 2.82 1.51 -1.26 -4.99 117.35 114.97 1g12 s TYR 87 Ca 0.24 -0.81 0.21 0.00 -1.01 0.00 0.00 57.07 55.71 1g12 s TYR 87 Cb 0.03 -2.28 1.18 0.00 -0.11 0.00 0.00 41.96 40.77 1g12 s TYR 87 CO 0.06 -0.52 1.77 -1.35 -1.11 0.00 0.00 175.55 174.41 1g12 h PRO 88 N 8.27 0.31 -0.04 -1.71 0.11 -1.97 -0.46 132.00 136.51 1g12 h PRO 88 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1g12 h PRO 88 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1g12 h PRO 88 CO 0.61 0.21 0.00 0.09 -0.21 0.00 0.00 178.00 178.69 1g12 n ASN 89 N -4.56 1.30 -3.85 -2.05 3.02 -1.26 -1.81 115.26 106.05 1g12 n ASN 89 Ca 0.26 -1.48 -0.28 0.00 -0.03 0.00 0.00 54.58 53.04 1g12 n ASN 89 Cb 0.94 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.97 1g12 n ASN 89 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1g12 s ARG 90 N -1.96 2.20 0.52 3.52 3.52 -0.18 -5.05 118.95 121.53 1g12 s ARG 90 Ca 0.38 -3.08 -0.23 0.00 -0.13 0.00 0.00 55.73 52.67 1g12 s ARG 90 Cb 0.20 -3.17 -0.06 0.00 -1.56 0.00 0.00 34.95 30.36 1g12 s ARG 90 CO 0.32 -1.27 1.38 0.34 -0.81 0.00 0.00 175.30 175.26 1g12 n PHE 91 N 2.27 2.40 -0.34 5.12 7.35 -1.26 -3.84 117.46 129.16 1g12 n PHE 91 Ca 0.18 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.31 1g12 n PHE 91 Cb 0.36 -2.39 0.00 0.00 0.35 0.00 0.00 39.48 37.80 1g12 n PHE 91 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1g12 n GLY 92 N 0.71 1.41 3.24 7.13 0.00 -1.26 -5.02 105.19 111.40 1g12 n GLY 92 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1g12 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g12 s THR 93 N -3.01 2.45 -0.09 2.61 2.01 -1.25 0.52 115.64 118.88 1g12 s THR 93 Ca 0.00 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1g12 s THR 93 Cb 0.00 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.49 1g12 s THR 93 CO 0.00 0.53 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.54 1g12 s VAL 94 N 0.77 2.18 -0.28 3.82 1.01 -0.01 -4.60 120.40 123.29 1g12 s VAL 94 Ca -0.07 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 1g12 s VAL 94 Cb -0.16 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1g12 s VAL 94 CO 0.00 0.56 0.13 -0.31 0.00 0.00 0.00 175.10 175.48 1g12 s TYR 95 N 0.15 3.15 0.02 5.22 1.51 -0.25 -1.08 117.35 126.06 1g12 s TYR 95 Ca -0.12 -0.29 -0.14 0.00 -1.01 0.00 0.00 57.07 55.51 1g12 s TYR 95 Cb -0.16 -2.31 -0.06 0.00 -0.11 0.00 0.00 41.96 39.32 1g12 s TYR 95 CO 0.07 -0.32 0.41 -0.51 -1.11 0.00 0.00 175.55 174.09 1g12 s LEU 96 N 1.66 4.45 0.00 -1.29 2.01 0.15 -0.69 118.68 124.97 1g12 s LEU 96 Ca 0.06 0.94 0.00 0.00 0.01 0.00 0.00 54.13 55.15 1g12 s LEU 96 Cb -0.16 -2.68 0.00 0.00 0.01 0.00 0.00 46.19 43.37 1g12 s LEU 96 CO 0.07 0.29 0.00 0.00 1.01 0.00 0.00 176.35 177.72 1g12 h GLY 98 N 0.03 0.33 2.00 0.00 0.00 -1.07 -2.81 103.07 101.56 1g12 h GLY 98 Ca -0.01 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1g12 h GLY 98 CO 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 176.54 176.46 1g12 h ALA 99 N 1.30 1.16 -0.84 3.60 0.00 -1.54 -2.81 119.26 120.13 1g12 h ALA 99 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1g12 h ALA 99 Cb 0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1g12 h ALA 99 CO -0.28 0.03 0.40 0.35 0.00 0.00 0.00 179.25 179.75 1g12 h PHE 100 N 0.00 1.20 0.00 0.00 3.57 -1.59 -2.52 116.94 117.60 1g12 h PHE 100 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1g12 h PHE 100 Cb 0.14 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.50 1g12 h PHE 100 CO 0.00 0.87 0.00 0.91 -2.23 0.00 0.00 178.31 177.86 1g12 n TRP 101 N -4.31 0.25 0.90 0.41 7.02 -1.06 -2.55 117.44 118.10 1g12 n TRP 101 Ca 0.08 0.08 0.11 0.00 -1.02 0.00 0.00 57.50 56.76 1g12 n TRP 101 Cb 0.14 -0.63 0.11 0.00 -2.42 0.00 0.00 31.31 28.50 1g12 n TRP 101 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1g12 n LYS 102 N -1.71 2.21 -3.80 -0.99 5.02 -0.97 -4.95 118.16 112.97 1g12 n LYS 102 Ca 0.05 -1.90 -0.34 0.00 -2.02 0.00 0.00 58.31 54.10 1g12 n LYS 102 Cb 0.29 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 1g12 n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g12 s ALA 103 N -1.87 3.88 0.72 7.82 0.00 -1.06 -5.09 121.76 126.16 1g12 s ALA 103 Ca 0.28 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1g12 s ALA 103 Cb 0.19 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1g12 s ALA 103 CO 0.29 0.69 1.09 -1.25 0.00 0.00 0.00 175.76 176.58 1g12 s PRO 104 N -1.99 2.56 0.14 0.00 0.04 -1.26 -4.56 135.00 129.93 1g12 s PRO 104 Ca 0.30 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 1g12 s PRO 104 Cb -0.13 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1g12 s PRO 104 CO 0.19 -1.41 1.75 1.15 0.04 0.00 0.00 177.00 178.72 1g12 h THR 105 N -0.67 0.94 -2.95 1.26 2.02 -1.96 0.27 112.91 111.82 1g12 h THR 105 Ca -0.45 -0.08 -0.44 0.00 0.77 0.00 0.00 66.41 66.22 1g12 h THR 105 Cb 1.23 0.69 -0.14 0.00 -1.74 0.00 0.00 68.15 68.19 1g12 h THR 105 CO 0.53 0.04 -0.68 0.42 0.37 0.00 0.00 175.52 176.20 1g12 s THR 106 N -6.17 1.44 0.00 3.16 -4.23 -1.26 -1.07 115.64 107.51 1g12 s THR 106 Ca -0.13 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.27 1g12 s THR 106 Cb 0.10 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1g12 s THR 106 CO 0.70 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1g12 n GLY 107 N -0.46 -0.35 3.73 3.99 0.00 -1.26 -4.78 105.19 106.05 1g12 n GLY 107 Ca -0.06 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 1g12 n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g12 s THR 108 N 0.00 3.64 -1.54 2.61 2.01 -1.26 -3.05 115.64 118.04 1g12 s THR 108 Ca 0.00 1.33 -0.12 0.00 0.31 0.00 0.00 61.69 63.21 1g12 s THR 108 Cb 0.00 -3.85 0.09 0.00 0.01 0.00 0.00 72.50 68.75 1g12 s THR 108 CO 0.00 0.19 0.87 0.47 -0.69 0.00 0.00 174.62 175.46 1g12 n ASP 109 N 2.81 -3.73 -4.87 3.53 8.00 -1.26 -4.85 116.55 116.18 1g12 n ASP 109 Ca 0.05 -0.85 -0.25 0.00 0.71 0.00 0.00 54.79 54.45 1g12 n ASP 109 Cb 0.45 -3.59 0.07 0.00 -0.02 0.00 0.00 41.12 38.03 1g12 n ASP 109 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1g12 s SER 110 N -3.51 4.75 0.13 -2.24 1.04 -1.17 -4.55 113.70 108.16 1g12 s SER 110 Ca 0.56 0.28 -0.14 0.00 0.48 0.00 0.00 55.95 57.12 1g12 s SER 110 Cb -0.29 -0.91 -0.01 0.00 0.10 0.00 0.00 66.02 64.91 1g12 s SER 110 CO 0.85 -1.61 1.58 1.56 0.98 0.00 0.00 173.24 176.60 1g12 h GLN 111 N -0.53 0.74 -0.45 4.02 4.20 -0.42 0.84 115.11 123.51 1g12 h GLN 111 Ca -0.43 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.01 1g12 h GLN 111 Cb 1.30 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1g12 h GLN 111 CO 0.56 0.82 0.17 0.00 -0.67 0.00 0.00 178.83 179.70 1g12 h ALA 112 N 0.89 0.59 -0.36 3.87 0.00 -1.31 -2.11 119.26 120.83 1g12 h ALA 112 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1g12 h ALA 112 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1g12 h ALA 112 CO 0.02 0.21 -0.04 0.78 0.00 0.00 0.00 179.25 180.22 1g12 h GLY 113 N 0.59 0.64 1.23 0.00 0.00 -1.73 -2.46 103.07 101.33 1g12 h GLY 113 Ca 0.15 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1g12 h GLY 113 CO -0.01 0.38 0.09 -0.84 0.00 0.00 0.00 176.54 176.16 1g12 h THR 114 N 0.56 1.25 -0.24 4.70 2.02 -0.50 -1.18 112.91 119.52 1g12 h THR 114 Ca 0.11 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 1g12 h THR 114 Cb 0.42 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1g12 h THR 114 CO 0.02 0.36 -0.15 -0.07 0.37 0.00 0.00 175.52 176.04 1g12 h LEU 115 N 0.89 0.39 -0.28 2.58 3.38 -0.95 0.68 115.31 122.00 1g12 h LEU 115 Ca 0.18 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1g12 h LEU 115 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1g12 h LEU 115 CO 0.01 0.57 -0.03 0.58 0.09 0.00 0.00 178.44 179.66 1g12 h VAL 116 N 0.37 1.27 0.01 1.22 2.07 -1.02 0.77 116.25 120.94 1g12 h VAL 116 Ca 0.07 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1g12 h VAL 116 Cb 0.49 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1g12 h VAL 116 CO 0.03 0.32 -0.18 -0.74 0.02 0.00 0.00 177.57 177.02 1g12 h HIS 117 N 0.30 -0.48 -0.56 1.57 -0.00 -0.78 -1.54 115.15 113.66 1g12 h HIS 117 Ca 0.08 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.37 1g12 h HIS 117 Cb 0.49 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 1g12 h HIS 117 CO 0.04 -0.27 -0.01 0.93 -0.00 0.00 0.00 177.93 178.63 1g12 h GLU 118 N -0.30 0.97 -0.89 5.26 4.39 -0.80 -2.74 114.58 120.46 1g12 h GLU 118 Ca 0.05 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1g12 h GLU 118 Cb 0.37 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1g12 h GLU 118 CO -0.17 0.96 0.56 1.03 -1.16 0.00 0.00 179.01 180.23 1g12 h SER 119 N 0.89 1.04 0.34 1.42 0.87 -0.55 -1.71 113.55 115.85 1g12 h SER 119 Ca 0.16 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1g12 h SER 119 Cb 0.53 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1g12 h SER 119 CO 0.03 0.78 -0.02 0.77 -0.53 0.00 0.00 176.83 177.86 1g12 h SER 120 N 1.21 0.00 0.65 6.23 4.64 -0.97 -2.28 113.55 123.03 1g12 h SER 120 Ca 0.32 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.53 1g12 h SER 120 Cb -0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1g12 h SER 120 CO -0.06 0.02 -0.52 0.45 -0.87 0.00 0.00 176.83 175.84 1g12 h HIS 121 N 0.00 0.00 -3.23 4.77 -0.00 -1.28 -0.88 115.15 114.53 1g12 h HIS 121 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.84 1g12 h HIS 121 Cb 0.20 0.00 0.08 0.00 -0.00 0.00 0.00 27.41 27.68 1g12 h HIS 121 CO 0.00 0.52 0.90 -0.06 -0.00 0.00 0.00 177.93 179.29 1g12 s PHE 122 N -3.67 2.80 0.39 2.45 2.99 -0.86 -4.04 117.98 118.03 1g12 s PHE 122 Ca -0.01 0.73 0.09 0.00 0.00 0.00 0.00 56.93 57.74 1g12 s PHE 122 Cb 0.12 -4.06 0.87 0.00 0.00 0.00 0.00 43.02 39.95 1g12 s PHE 122 CO 0.74 -3.63 1.97 1.79 -0.00 0.00 0.00 175.22 176.09 1g12 h THR 123 N 3.47 0.98 0.00 0.64 1.35 -1.67 -0.45 112.91 117.23 1g12 h THR 123 Ca -0.46 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.18 1g12 h THR 123 Cb 1.22 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1g12 h THR 123 CO 0.82 0.11 -0.06 -0.09 -0.25 0.00 0.00 175.52 176.05 1g12 h ARG 124 N 0.60 0.00 -0.02 4.72 2.43 -1.90 -2.45 114.38 117.76 1g12 h ARG 124 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1g12 h ARG 124 Cb 0.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1g12 h ARG 124 CO -0.09 0.06 -0.13 0.09 -1.51 0.00 0.00 179.97 178.39 1g12 n ASN 125 N -4.32 2.31 0.00 -3.80 3.02 -0.31 -4.93 115.26 107.24 1g12 n ASN 125 Ca -0.03 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 1g12 n ASN 125 Cb 0.14 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1g12 n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g12 n GLY 126 N 1.33 1.30 3.55 7.41 0.00 -0.92 -4.34 105.19 113.52 1g12 n GLY 126 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1g12 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g12 n GLY 127 N 0.00 -0.54 3.71 -0.02 0.00 -0.41 -4.92 105.19 103.00 1g12 n GLY 127 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 1g12 n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g12 s THR 128 N -3.52 2.64 0.36 2.61 -4.23 -0.35 -4.95 115.64 108.21 1g12 s THR 128 Ca 0.14 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1g12 s THR 128 Cb -0.03 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1g12 s THR 128 CO 0.79 -0.27 0.03 0.29 -0.54 0.00 0.00 174.62 174.92 1g12 n LYS 129 N -3.94 1.12 -3.78 3.99 4.76 0.52 -4.55 118.16 116.27 1g12 n LYS 129 Ca 0.10 -2.56 -0.32 0.00 -2.87 0.00 0.00 58.31 52.66 1g12 n LYS 129 Cb 0.53 0.64 -0.09 0.00 -1.84 0.00 0.00 35.03 34.26 1g12 n LYS 129 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1g12 s ASP 130 N -2.98 5.37 0.17 4.39 1.01 -1.26 -1.26 116.67 122.11 1g12 s ASP 130 Ca 0.03 -3.82 0.16 0.00 0.71 0.00 0.00 52.55 49.63 1g12 s ASP 130 Cb -0.00 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 1g12 s ASP 130 CO 0.02 -0.12 1.15 1.88 0.21 0.00 0.00 175.17 178.30 1g12 h TYR 131 N 5.65 0.00 -2.68 4.23 -1.99 -1.92 -3.47 116.97 116.78 1g12 h TYR 131 Ca 0.15 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 1g12 h TYR 131 Cb 0.78 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.29 1g12 h TYR 131 CO 0.70 0.54 -0.17 0.00 -0.00 0.00 0.00 178.16 179.23 1g12 s ALA 132 N -2.95 -1.10 0.03 3.88 0.00 -1.26 -5.09 121.76 115.28 1g12 s ALA 132 Ca 0.01 0.99 0.09 0.00 0.00 0.00 0.00 51.96 53.05 1g12 s ALA 132 Cb 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1g12 s ALA 132 CO 0.78 -0.25 -0.26 0.71 0.00 0.00 0.00 175.76 176.74 1g12 s TYR 133 N -0.41 2.29 0.00 0.00 4.12 -1.26 -4.47 117.35 117.61 1g12 s TYR 133 Ca -0.05 -0.42 0.00 0.00 0.02 0.00 0.00 57.07 56.62 1g12 s TYR 133 Cb -0.03 -1.39 0.00 0.00 -1.52 0.00 0.00 41.96 39.01 1g12 s TYR 133 CO 0.03 0.09 0.00 0.41 0.02 0.00 0.00 175.55 176.10 1g12 n GLY 134 N 1.93 -1.25 0.20 0.71 0.00 -1.26 -4.18 105.19 101.34 1g12 n GLY 134 Ca -0.17 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 1g12 n GLY 134 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1g12 h GLN 135 N 0.00 0.50 0.12 1.61 4.20 -1.97 0.06 115.11 119.62 1g12 h GLN 135 Ca 0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.69 1g12 h GLN 135 Cb 0.00 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1g12 h GLN 135 CO 0.00 0.33 -0.17 0.00 -0.67 0.00 0.00 178.83 178.31 1g12 h ALA 136 N 1.25 -0.30 -0.33 3.87 0.00 -2.00 0.11 119.26 121.86 1g12 h ALA 136 Ca 0.21 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1g12 h ALA 136 Cb 0.10 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1g12 h ALA 136 CO -0.14 -0.70 -0.21 0.00 0.00 0.00 0.00 179.25 178.20 1g12 h ALA 137 N 0.48 1.02 -0.49 0.00 0.00 -1.69 -1.71 119.26 116.86 1g12 h ALA 137 Ca 0.02 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1g12 h ALA 137 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1g12 h ALA 137 CO -0.08 0.59 0.09 0.00 0.00 0.00 0.00 179.25 179.85 1g12 h ALA 138 N 1.22 0.65 -0.65 0.00 0.00 -0.74 0.27 119.26 120.01 1g12 h ALA 138 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1g12 h ALA 138 Cb 0.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1g12 h ALA 138 CO 0.05 0.37 0.08 0.87 0.00 0.00 0.00 179.25 180.62 1g12 h LYS 139 N 0.69 1.08 -0.71 0.00 1.57 -0.82 -1.28 116.57 117.10 1g12 h LYS 139 Ca 0.15 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1g12 h LYS 139 Cb 0.37 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1g12 h LYS 139 CO 0.01 1.00 0.21 1.03 -0.57 0.00 0.00 179.45 181.12 1g12 h SER 140 N 1.00 1.05 -0.75 0.86 0.87 -1.05 -2.26 113.55 113.27 1g12 h SER 140 Ca 0.19 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1g12 h SER 140 Cb 0.46 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 1g12 h SER 140 CO 0.02 0.99 0.26 0.25 -0.53 0.00 0.00 176.83 177.82 1g12 h LEU 141 N 1.06 1.08 -1.04 2.23 5.85 -0.59 -0.21 115.31 123.68 1g12 h LEU 141 Ca 0.23 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1g12 h LEU 141 Cb 0.33 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1g12 h LEU 141 CO -0.00 0.98 0.26 0.00 -0.34 0.00 0.00 178.44 179.35 1g12 h ALA 142 N 1.16 1.24 0.05 1.25 0.00 -0.82 0.55 119.26 122.69 1g12 h ALA 142 Ca 0.25 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1g12 h ALA 142 Cb 0.27 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.82 1g12 h ALA 142 CO -0.01 0.56 -0.65 1.15 0.00 0.00 0.00 179.25 180.29 1g12 h THR 143 N 0.93 1.46 0.11 0.00 2.02 -1.12 -3.31 112.91 113.01 1g12 h THR 143 Ca 0.22 -2.22 -0.29 0.00 0.77 0.00 0.00 66.41 64.88 1g12 h THR 143 Cb 0.17 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1g12 h THR 143 CO -0.02 0.64 -1.45 0.24 0.37 0.00 0.00 175.52 175.29 1g12 h MET 144 N -0.21 0.24 -1.48 6.66 2.07 -0.94 -3.43 114.93 117.84 1g12 h MET 144 Ca -0.09 -0.40 -0.40 0.00 -2.07 0.00 0.00 59.70 56.73 1g12 h MET 144 Cb 1.41 0.15 -0.28 0.00 -1.87 0.00 0.00 31.60 31.00 1g12 h MET 144 CO 0.13 1.11 -0.80 -3.47 1.07 0.00 0.00 176.91 174.95 1g12 n ASP 145 N -3.45 -1.52 -0.11 1.22 -0.08 0.19 -5.00 116.55 107.80 1g12 n ASP 145 Ca -0.14 -2.77 0.14 0.00 -1.51 0.00 0.00 54.79 50.51 1g12 n ASP 145 Cb 1.04 0.45 0.51 0.00 2.34 0.00 0.00 41.12 45.46 1g12 n ASP 145 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1g12 h PRO 146 N 4.75 0.38 -0.71 -0.67 0.11 -1.63 -1.24 132.00 132.99 1g12 h PRO 146 Ca 0.09 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.19 1g12 h PRO 146 Cb 0.97 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1g12 h PRO 146 CO 0.30 0.25 0.47 -0.44 -0.21 0.00 0.00 178.00 178.36 1g12 h ASP 147 N 0.39 0.78 0.72 -2.05 5.19 -1.89 -1.54 116.42 118.02 1g12 h ASP 147 Ca 0.31 -0.02 -0.26 0.00 -0.62 0.00 0.00 57.03 56.44 1g12 h ASP 147 Cb 0.68 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1g12 h ASP 147 CO -0.09 0.55 -1.27 0.11 -3.12 0.00 0.00 179.24 175.43 1g12 h LYS 148 N 0.91 0.12 -0.57 3.56 1.79 -1.61 -3.33 116.57 117.45 1g12 h LYS 148 Ca 0.27 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1g12 h LYS 148 Cb -0.04 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 1g12 h LYS 148 CO -0.07 1.02 0.32 0.00 -1.08 0.00 0.00 179.45 179.64 1g12 h ALA 149 N 0.78 0.74 0.00 3.86 0.00 -0.55 0.30 119.26 124.39 1g12 h ALA 149 Ca -0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1g12 h ALA 149 Cb 1.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1g12 h ALA 149 CO 0.15 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.73 1g12 n VAL 150 N -4.82 0.35 -0.91 0.00 0.24 -0.65 -1.69 118.33 110.85 1g12 n VAL 150 Ca 0.05 0.09 0.08 0.00 -2.04 0.00 0.00 64.34 62.52 1g12 n VAL 150 Cb 0.12 -0.78 0.12 0.00 -1.47 0.00 0.00 33.84 31.83 1g12 n VAL 150 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1g12 n MET 151 N -1.23 1.53 -4.32 7.34 2.00 -0.08 -4.76 117.12 117.60 1g12 n MET 151 Ca 0.10 -2.38 -0.34 0.00 0.00 0.00 0.00 57.70 55.08 1g12 n MET 151 Cb 0.13 -1.40 -0.13 0.00 0.00 0.00 0.00 33.22 31.82 1g12 n MET 151 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1g12 s ASN 152 N -2.55 4.56 0.16 7.83 3.04 -0.21 -0.35 114.94 127.42 1g12 s ASN 152 Ca 0.26 -0.23 -0.16 0.00 0.04 0.00 0.00 52.86 52.78 1g12 s ASN 152 Cb 0.23 -1.75 0.06 0.00 -1.54 0.00 0.00 41.25 38.25 1g12 s ASN 152 CO 0.02 0.11 1.77 0.00 -3.04 0.00 0.00 177.10 175.97 1g12 h ALA 153 N 7.11 0.45 -0.23 1.71 0.00 -1.49 -2.57 119.26 124.25 1g12 h ALA 153 Ca -0.33 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1g12 h ALA 153 Cb 1.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1g12 h ALA 153 CO 0.61 -0.21 0.02 -0.44 0.00 0.00 0.00 179.25 179.22 1g12 h ASP 154 N 0.34 0.31 0.13 0.00 5.19 -1.84 -0.64 116.42 119.91 1g12 h ASP 154 Ca 0.16 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1g12 h ASP 154 Cb 0.10 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1g12 h ASP 154 CO -0.14 0.35 -0.26 0.78 -3.12 0.00 0.00 179.24 176.86 1g12 h ASN 155 N 0.33 0.22 -0.13 6.45 2.35 -1.74 0.98 115.58 124.04 1g12 h ASN 155 Ca 0.08 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1g12 h ASN 155 Cb 0.20 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1g12 h ASN 155 CO 0.00 0.48 -0.27 0.45 -1.65 0.00 0.00 177.43 176.45 1g12 h HIS 156 N 0.20 0.52 -0.37 1.19 3.86 -1.11 -1.58 115.15 117.86 1g12 h HIS 156 Ca 0.03 -0.19 0.04 0.00 -1.16 0.00 0.00 60.37 59.09 1g12 h HIS 156 Cb 0.57 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 1g12 h HIS 156 CO 0.01 0.89 0.16 1.49 0.86 0.00 0.00 177.93 181.33 1g12 h GLU 157 N 0.01 0.32 -0.11 2.45 4.81 -0.72 -1.12 114.58 120.22 1g12 h GLU 157 Ca 0.00 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1g12 h GLU 157 Cb 0.86 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1g12 h GLU 157 CO 0.06 0.21 -0.49 1.88 -0.73 0.00 0.00 179.01 179.94 1g12 h TYR 158 N 0.33 0.33 -0.68 0.92 0.99 -0.84 0.85 116.97 118.87 1g12 h TYR 158 Ca 0.16 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 1g12 h TYR 158 Cb 0.11 -0.07 -0.03 0.00 1.00 0.00 0.00 36.73 37.74 1g12 h TYR 158 CO -0.12 0.71 0.17 0.35 -0.00 0.00 0.00 178.16 179.28 1g12 h PHE 159 N 0.22 1.13 -0.06 4.88 3.57 -0.94 -1.22 116.94 124.52 1g12 h PHE 159 Ca 0.01 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.33 1g12 h PHE 159 Cb 0.95 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1g12 h PHE 159 CO 0.02 0.92 -0.16 0.77 -2.23 0.00 0.00 178.31 177.64 1g12 h SER 160 N 1.01 0.24 -0.50 0.41 0.02 -0.88 -3.23 113.55 110.63 1g12 h SER 160 Ca 0.21 -0.60 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1g12 h SER 160 Cb 0.35 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1g12 h SER 160 CO 0.00 0.80 0.30 -0.33 -1.14 0.00 0.00 176.83 176.46 1g12 h GLU 161 N -0.30 0.69 -6.86 3.45 5.08 -0.81 -3.47 114.58 112.36 1g12 h GLU 161 Ca -0.00 -0.06 -0.58 0.00 -1.00 0.00 0.00 59.36 57.72 1g12 h GLU 161 Cb 0.77 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 1g12 h GLU 161 CO 0.03 0.49 -0.98 -1.71 -1.00 0.00 0.00 179.01 175.85 1g12 n ASN 162 N -4.42 -2.34 -3.70 1.42 5.15 -0.46 -4.88 115.26 106.02 1g12 n ASN 162 Ca 0.04 -1.23 -0.22 0.00 -0.60 0.00 0.00 54.58 52.57 1g12 n ASN 162 Cb 0.08 -1.98 -0.18 0.00 -0.53 0.00 0.00 39.78 37.18 1g12 n ASN 162 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1g12 s ASN 163 N -3.87 1.62 0.57 1.20 2.47 -1.26 -2.48 114.94 113.19 1g12 s ASN 163 Ca 0.29 -0.16 -0.21 0.00 0.42 0.00 0.00 52.86 53.21 1g12 s ASN 163 Cb -0.15 -0.28 -0.04 0.00 -1.45 0.00 0.00 41.25 39.33 1g12 s ASN 163 CO 0.96 -0.25 1.32 -2.16 -3.72 0.00 0.00 177.10 173.24 1g12 s PRO 164 N 2.08 3.01 0.21 0.43 0.04 -1.26 -4.81 135.00 134.71 1g12 s PRO 164 Ca 0.04 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1g12 s PRO 164 Cb -0.13 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1g12 s PRO 164 CO -0.05 -1.26 1.39 0.00 0.04 0.00 0.00 177.00 177.12 1g12 s ALA 165 N -1.37 3.59 0.09 8.56 0.00 -1.03 -5.04 121.76 126.57 1g12 s ALA 165 Ca 0.74 1.23 0.07 0.00 0.00 0.00 0.00 51.96 54.00 1g12 s ALA 165 Cb -0.38 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 1g12 s ALA 165 CO 0.44 -0.65 -0.17 -0.65 0.00 0.00 0.00 175.76 174.72 1g12 s GLN 166 N -0.07 1.00 0.00 0.00 -0.21 -1.26 -5.11 119.66 114.01 1g12 s GLN 166 Ca 0.59 -1.10 0.25 0.00 0.02 0.00 0.00 55.36 55.12 1g12 s GLN 166 Cb -0.39 -1.12 1.51 0.00 1.00 0.00 0.00 33.01 34.00 1g12 s GLN 166 CO 0.40 0.25 1.86 0.43 -2.12 0.00 0.00 175.29 176.11