#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1h n GLU 5 N 0.00 0.00 -0.14 0.00 1.02 -1.26 -1.54 120.64 118.72 3i1h n GLU 5 Ca 0.00 0.79 -0.03 0.00 -0.02 0.00 0.00 57.16 57.89 3i1h n GLU 5 Cb 0.00 -1.39 0.05 0.00 -0.02 0.00 0.00 31.44 30.08 3i1h n GLU 5 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3i1h h PHE 6 N 0.00 0.04 -0.86 -0.32 3.57 -2.00 -2.43 116.94 114.94 3i1h h PHE 6 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 3i1h h PHE 6 Cb 0.00 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3i1h h PHE 6 CO -0.55 -0.06 0.56 0.78 -2.23 0.00 0.00 178.31 176.81 3i1h h GLY 7 N 0.15 1.22 0.98 2.40 0.00 -1.96 0.87 103.07 106.73 3i1h h GLY 7 Ca 0.22 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3i1h h GLY 7 CO -0.34 0.27 -0.06 -1.82 0.00 0.00 0.00 176.54 174.60 3i1h h TYR 8 N 0.94 0.87 -0.38 5.60 5.03 -0.81 0.85 116.97 129.09 3i1h h TYR 8 Ca 0.37 -0.17 -0.12 0.00 2.58 0.00 0.00 58.73 61.39 3i1h h TYR 8 Cb 0.23 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 3i1h h TYR 8 CO -0.00 0.88 -0.22 0.82 -1.32 0.00 0.00 178.16 178.32 3i1h h ILE 9 N 0.61 1.28 -0.52 1.81 2.04 -1.11 -1.23 117.51 120.39 3i1h h ILE 9 Ca 0.11 -1.36 0.06 0.00 1.00 0.00 0.00 64.86 64.67 3i1h h ILE 9 Cb 0.57 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 3i1h h ILE 9 CO 0.03 0.45 0.24 0.22 0.00 0.00 0.00 178.15 179.10 3i1h h TYR 10 N 0.61 0.44 -0.78 1.37 3.20 -0.67 0.35 116.97 121.48 3i1h h TYR 10 Ca 0.08 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3i1h h TYR 10 Cb 0.78 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.89 3i1h h TYR 10 CO 0.06 0.19 0.43 -0.09 -1.64 0.00 0.00 178.16 177.11 3i1h h ARG 11 N 0.46 1.08 -0.18 1.82 9.65 -0.58 0.98 114.38 127.61 3i1h h ARG 11 Ca 0.24 -0.12 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 3i1h h ARG 11 Cb 0.19 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3i1h h ARG 11 CO -0.20 0.79 -0.12 -0.07 2.80 0.00 0.00 179.97 183.17 3i1h h LEU 12 N 1.09 0.42 -1.27 3.80 3.38 0.22 -1.05 115.31 121.90 3i1h h LEU 12 Ca 0.28 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3i1h h LEU 12 Cb 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3i1h h LEU 12 CO -0.05 0.77 0.21 0.00 0.09 0.00 0.00 178.44 179.46 3i1h h ALA 13 N 0.66 1.43 -0.12 1.53 0.00 -0.17 -1.52 119.26 121.07 3i1h h ALA 13 Ca 0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3i1h h ALA 13 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3i1h h ALA 13 CO 0.03 0.44 -0.68 0.37 0.00 0.00 0.00 179.25 179.41 3i1h h GLN 14 N 0.70 0.50 -0.47 0.00 4.15 -0.67 -2.71 115.11 116.62 3i1h h GLN 14 Ca 0.17 -0.38 -0.12 0.00 0.77 0.00 0.00 58.65 59.09 3i1h h GLN 14 Cb 0.13 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3i1h h GLN 14 CO -0.02 1.01 -0.19 -0.44 -1.93 0.00 0.00 178.83 177.26 3i1h h ASP 15 N 0.36 0.95 -0.56 -0.69 3.32 -0.85 -2.40 116.42 116.54 3i1h h ASP 15 Ca -0.02 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 3i1h h ASP 15 Cb 1.26 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3i1h h ASP 15 CO 0.12 1.11 0.15 0.22 -1.72 0.00 0.00 179.24 179.12 3i1h h TYR 16 N 0.81 0.93 0.00 4.55 3.20 -1.24 -2.94 116.97 122.29 3i1h h TYR 16 Ca 0.11 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 3i1h h TYR 16 Cb 0.74 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3i1h h TYR 16 CO 0.05 0.79 -0.47 1.37 -1.64 0.00 0.00 178.16 178.26 3i1h h LEU 17 N 0.80 0.00 -2.08 2.82 8.10 -1.44 -1.49 115.31 122.02 3i1h h LEU 17 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.17 3i1h h LEU 17 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 3i1h h LEU 17 CO -0.00 0.47 0.00 0.00 -4.11 0.00 0.00 178.44 174.80 3i1h n GLN 18 N -3.54 0.61 0.00 0.17 6.02 -0.91 -0.76 117.38 118.97 3i1h n GLN 18 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i1h n GLN 18 Cb 0.58 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.64 3i1h n GLN 18 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i1h n VAL 20 N 0.75 0.00 1.66 5.09 0.31 -0.56 -0.33 118.33 125.24 3i1h n VAL 20 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3i1h n VAL 20 Cb 0.30 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.27 3i1h n VAL 20 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i1h n LEU 21 N 0.00 0.52 -4.01 7.52 4.77 0.06 -4.91 117.00 120.95 3i1h n LEU 21 Ca 0.00 -0.26 -0.35 0.00 -0.03 0.00 0.00 56.01 55.37 3i1h n LEU 21 Cb 0.00 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3i1h n LEU 21 CO 0.00 0.12 -0.23 0.00 -1.33 0.00 0.00 177.39 175.95 3i1h n GLN 22 N -0.24 -1.31 -4.75 3.23 6.02 -0.85 -4.98 117.38 114.49 3i1h n GLN 22 Ca 0.03 0.24 -0.24 0.00 -0.01 0.00 0.00 57.00 57.01 3i1h n GLN 22 Cb 0.09 -3.57 -0.16 0.00 1.02 0.00 0.00 30.24 27.63 3i1h n GLN 22 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3i1h s ILE 23 N -3.80 1.29 0.32 5.09 -4.36 0.55 -5.14 121.20 115.15 3i1h s ILE 23 Ca 0.27 -0.67 -0.29 0.00 -0.26 0.00 0.00 60.65 59.70 3i1h s ILE 23 Cb -0.13 -1.09 -0.11 0.00 1.25 0.00 0.00 42.46 42.38 3i1h s ILE 23 CO 0.93 0.37 1.56 -2.84 0.24 0.00 0.00 174.94 175.20 3i1h s PRO 24 N -0.15 4.11 0.00 0.37 0.02 -1.26 -4.82 135.00 133.27 3i1h s PRO 24 Ca 0.01 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3i1h s PRO 24 Cb -0.09 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3i1h s PRO 24 CO 0.01 -0.60 0.00 -0.35 -0.33 0.00 0.00 177.00 175.72 3i1h n PRO 30 N 1.56 0.00 -1.22 5.54 -0.04 -1.26 -5.06 135.00 134.53 3i1h n PRO 30 Ca 0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.22 3i1h n PRO 30 Cb 0.38 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 33.99 3i1h n PRO 30 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i1h s SER 31 N 0.00 3.21 0.17 3.54 1.04 -1.26 -4.77 113.70 115.63 3i1h s SER 31 Ca 0.00 1.36 -0.14 0.00 0.48 0.00 0.00 55.95 57.64 3i1h s SER 31 Cb 0.00 -2.03 0.12 0.00 0.10 0.00 0.00 66.02 64.21 3i1h s SER 31 CO 0.00 -2.79 1.74 0.50 0.98 0.00 0.00 173.24 173.67 3i1h h LYS 32 N -1.65 0.28 -0.22 4.02 3.64 -2.05 -0.61 116.57 119.98 3i1h h LYS 32 Ca -0.51 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 3i1h h LYS 32 Cb 1.30 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 3i1h h LYS 32 CO 0.56 0.19 -0.27 1.15 -2.27 0.00 0.00 179.45 178.81 3i1h h THR 33 N 0.29 0.35 -0.93 1.00 2.02 -1.94 0.82 112.91 114.52 3i1h h THR 33 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3i1h h THR 33 Cb 0.21 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 3i1h h THR 33 CO -0.22 0.00 0.60 -1.28 0.37 0.00 0.00 175.52 174.98 3i1h h SER 34 N -0.29 1.08 -0.31 4.18 0.87 -1.78 0.13 113.55 117.43 3i1h h SER 34 Ca 0.13 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 3i1h h SER 34 Cb 0.49 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3i1h h SER 34 CO -0.39 0.80 -0.01 0.03 -0.53 0.00 0.00 176.83 176.73 3i1h h ARG 35 N 1.27 0.56 -0.47 2.24 3.08 -0.54 -0.41 114.38 120.10 3i1h h ARG 35 Ca 0.34 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3i1h h ARG 35 Cb -0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3i1h h ARG 35 CO -0.07 0.70 0.30 0.28 -1.07 0.00 0.00 179.97 180.11 3i1h h VAL 36 N 0.36 1.13 -0.00 2.04 2.07 -0.30 -2.74 116.25 118.80 3i1h h VAL 36 Ca 0.09 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3i1h h VAL 36 Cb 0.45 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3i1h h VAL 36 CO 0.02 0.13 0.00 0.25 0.02 0.00 0.00 177.57 177.99 3i1h h LEU 37 N 0.64 0.00 -0.67 2.57 5.85 -0.56 -2.29 115.31 120.84 3i1h h LEU 37 Ca 0.17 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.91 3i1h h LEU 37 Cb -0.04 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.90 3i1h h LEU 37 CO -0.03 0.11 0.24 1.56 -0.34 0.00 0.00 178.44 179.97 3i1h h GLN 38 N -0.10 0.39 -0.04 1.25 4.20 -1.04 0.97 115.11 120.75 3i1h h GLN 38 Ca 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3i1h h GLN 38 Cb 0.10 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3i1h h GLN 38 CO -0.00 0.26 0.01 -0.97 -0.67 0.00 0.00 178.83 177.46 3i1h h ASN 39 N 0.40 0.05 -0.12 1.46 -0.73 -1.39 -0.50 115.58 114.76 3i1h h ASN 39 Ca 0.36 -0.20 -0.23 0.00 1.87 0.00 0.00 56.30 58.10 3i1h h ASN 39 Cb 0.50 -0.01 0.01 0.00 0.27 0.00 0.00 38.32 39.09 3i1h h ASN 39 CO -0.37 0.24 -0.81 1.62 -0.37 0.00 0.00 177.43 177.74 3i1h h VAL 40 N -0.14 1.28 -0.65 2.57 3.04 -0.75 -2.81 116.25 118.79 3i1h h VAL 40 Ca 0.01 -2.01 -0.07 0.00 -1.01 0.00 0.00 66.70 63.62 3i1h h VAL 40 Cb 0.21 2.09 -0.03 0.00 -2.01 0.00 0.00 31.29 31.55 3i1h h VAL 40 CO -0.00 0.63 0.13 0.00 -1.01 0.00 0.00 177.57 177.33 3i1h h ALA 41 N 0.51 1.01 -0.42 3.17 0.00 0.92 -1.92 119.26 122.53 3i1h h ALA 41 Ca -0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3i1h h ALA 41 Cb 1.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3i1h h ALA 41 CO 0.17 0.64 -0.07 0.35 0.00 0.00 0.00 179.25 180.33 3i1h h PHE 42 N 0.98 0.78 -0.59 0.00 3.57 -1.12 0.16 116.94 120.72 3i1h h PHE 42 Ca 0.20 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3i1h h PHE 42 Cb 0.38 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3i1h h PHE 42 CO 0.03 0.77 0.29 1.03 -2.23 0.00 0.00 178.31 178.20 3i1h h SER 43 N 0.66 0.76 -0.43 0.41 0.87 -1.19 -2.04 113.55 112.59 3i1h h SER 43 Ca 0.12 -0.12 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3i1h h SER 43 Cb 0.51 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3i1h h SER 43 CO 0.03 0.66 -0.10 0.58 -0.53 0.00 0.00 176.83 177.47 3i1h h VAL 44 N 0.80 1.26 -0.39 2.23 2.07 -0.93 -2.90 116.25 118.39 3i1h h VAL 44 Ca 0.20 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3i1h h VAL 44 Cb 0.10 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3i1h h VAL 44 CO -0.03 0.42 0.21 -0.61 0.02 0.00 0.00 177.57 177.58 3i1h h GLN 45 N 0.80 0.41 -0.88 1.57 4.15 -0.64 0.57 115.11 121.09 3i1h h GLN 45 Ca 0.13 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.53 3i1h h GLN 45 Cb 0.62 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 3i1h h GLN 45 CO 0.04 0.27 0.57 0.87 -1.93 0.00 0.00 178.83 178.66 3i1h h LYS 46 N 0.42 1.17 -0.57 1.69 1.57 -1.31 0.11 116.57 119.65 3i1h h LYS 46 Ca 0.16 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 3i1h h LYS 46 Cb 0.04 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3i1h h LYS 46 CO -0.10 0.78 -0.07 1.49 -0.57 0.00 0.00 179.45 180.99 3i1h h GLU 47 N 1.20 1.06 -0.36 3.15 4.81 -1.20 -2.85 114.58 120.39 3i1h h GLU 47 Ca 0.32 -0.37 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 3i1h h GLU 47 Cb -0.12 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3i1h h GLU 47 CO -0.07 1.07 -0.07 0.28 -0.73 0.00 0.00 179.01 179.49 3i1h h VAL 48 N 0.95 1.27 -0.87 0.32 2.07 -0.48 -2.73 116.25 116.79 3i1h h VAL 48 Ca 0.15 -1.12 0.09 0.00 0.82 0.00 0.00 66.70 66.64 3i1h h VAL 48 Cb 0.64 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 3i1h h VAL 48 CO 0.04 0.37 0.52 -0.33 0.02 0.00 0.00 177.57 178.19 3i1h h GLU 49 N 0.48 0.85 0.20 1.57 5.08 -0.69 0.34 114.58 122.41 3i1h h GLU 49 Ca 0.09 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 3i1h h GLU 49 Cb 0.57 -0.19 0.03 0.00 0.50 0.00 0.00 28.75 29.65 3i1h h GLU 49 CO 0.03 0.56 -1.37 1.57 -1.00 0.00 0.00 179.01 178.80 3i1h h LYS 50 N 0.88 0.47 -0.04 2.33 2.10 -1.51 -2.77 116.57 118.02 3i1h h LYS 50 Ca 0.41 -0.77 -0.22 0.00 -2.00 0.00 0.00 60.65 58.07 3i1h h LYS 50 Cb 0.33 0.28 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3i1h h LYS 50 CO -0.23 1.36 -0.87 -0.91 -2.00 0.00 0.00 179.45 176.80 3i1h h ASN 51 N 0.14 0.62 -0.65 7.07 2.35 -1.28 -3.21 115.58 120.61 3i1h h ASN 51 Ca -0.21 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 3i1h h ASN 51 Cb 2.07 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 40.26 3i1h h ASN 51 CO 0.25 1.24 0.00 0.18 -1.65 0.00 0.00 177.43 177.45 3i1h n LEU 52 N -3.81 4.71 0.00 1.61 4.77 0.09 -4.78 117.00 119.60 3i1h n LEU 52 Ca -0.07 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 3i1h n LEU 52 Cb 0.79 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3i1h n LEU 52 CO 0.51 0.83 0.27 1.17 -1.33 0.00 0.00 177.39 178.83 3i1h n LYS 53 N 1.15 0.00 -0.34 3.23 4.81 -1.05 -2.08 118.16 123.89 3i1h n LYS 53 Ca 0.26 0.53 0.34 0.00 -0.87 0.00 0.00 58.31 58.57 3i1h n LYS 53 Cb 0.87 -1.02 0.72 0.00 0.02 0.00 0.00 35.03 35.63 3i1h n LYS 53 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3i1h h SER 54 N 0.00 0.06 -0.07 3.14 0.87 -1.86 -1.31 113.55 114.37 3i1h h SER 54 Ca 0.00 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.36 3i1h h SER 54 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3i1h h SER 54 CO 0.00 0.01 -0.76 0.00 -0.53 0.00 0.00 176.83 175.54 3i1h h LEU 56 N 0.49 0.00 -1.34 0.00 3.38 -0.67 -3.23 115.31 113.94 3i1h h LEU 56 Ca -0.05 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3i1h h LEU 56 Cb 1.38 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 3i1h h LEU 56 CO 0.15 0.45 0.47 0.44 0.09 0.00 0.00 178.44 180.04 3i1h h ASP 57 N 0.00 0.74 -0.08 -0.43 3.32 -1.57 -2.49 116.42 115.91 3i1h h ASP 57 Ca -0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3i1h h ASP 57 Cb 1.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3i1h h ASP 57 CO 0.06 0.51 0.04 -0.46 -1.72 0.00 0.00 179.24 177.66 3i1h n ASN 58 N -4.46 2.40 -3.76 6.45 0.23 -1.22 -4.68 115.26 110.21 3i1h n ASN 58 Ca 0.09 -2.13 -0.19 0.00 -0.53 0.00 0.00 54.58 51.82 3i1h n ASN 58 Cb 0.13 -0.53 -0.17 0.00 -2.08 0.00 0.00 39.78 37.14 3i1h n ASN 58 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3i1h s VAL 59 N -0.68 0.14 -0.32 3.53 1.01 -0.94 -5.12 120.40 118.02 3i1h s VAL 59 Ca 0.05 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 3i1h s VAL 59 Cb 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.13 3i1h s VAL 59 CO 0.01 0.18 0.14 0.20 0.00 0.00 0.00 175.10 175.63 3i1h s ASN 60 N 1.60 5.43 -1.05 3.32 0.01 -1.26 -5.01 114.94 117.98 3i1h s ASN 60 Ca -0.02 -0.75 -0.16 0.00 -0.71 0.00 0.00 52.86 51.22 3i1h s ASN 60 Cb -0.13 -1.95 0.16 0.00 0.41 0.00 0.00 41.25 39.73 3i1h s ASN 60 CO -0.03 -0.25 1.25 -0.69 -1.51 0.00 0.00 177.10 175.87 3i1h s VAL 61 N 1.54 4.94 -1.29 1.60 1.01 -1.26 -4.77 120.40 122.18 3i1h s VAL 61 Ca 0.03 -2.14 0.25 0.00 0.00 0.00 0.00 61.98 60.11 3i1h s VAL 61 Cb -0.18 -4.82 0.06 0.00 0.00 0.00 0.00 36.38 31.44 3i1h s VAL 61 CO 0.05 -1.53 1.39 1.33 0.00 0.00 0.00 175.10 176.34 3i1h n VAL 62 N 4.95 0.00 -3.82 2.92 0.24 -1.26 -3.35 118.33 118.01 3i1h n VAL 62 Ca 0.29 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.34 62.45 3i1h n VAL 62 Cb 0.46 0.43 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 3i1h n VAL 62 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3i1h s SER 63 N -2.82 -0.21 0.36 -1.34 1.04 -1.26 -1.25 113.70 108.21 3i1h s SER 63 Ca 0.15 -0.60 0.11 0.00 0.48 0.00 0.00 55.95 56.08 3i1h s SER 63 Cb 0.18 0.59 0.67 0.00 0.10 0.00 0.00 66.02 67.56 3i1h s SER 63 CO 0.66 -1.09 1.81 0.58 0.98 0.00 0.00 173.24 176.17 3i1h h VAL 64 N 2.21 1.26 -0.28 5.02 2.07 -1.96 -1.68 116.25 122.89 3i1h h VAL 64 Ca -0.27 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 3i1h h VAL 64 Cb 1.26 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3i1h h VAL 64 CO 0.36 0.37 0.15 0.44 0.02 0.00 0.00 177.57 178.91 3i1h h ASP 65 N 0.08 0.36 -0.53 0.57 3.32 -1.99 0.20 116.42 118.44 3i1h h ASP 65 Ca 0.01 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3i1h h ASP 65 Cb 0.65 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3i1h h ASP 65 CO 0.05 0.35 0.13 0.74 -1.72 0.00 0.00 179.24 178.78 3i1h h THR 66 N 0.34 1.24 -0.51 0.35 2.02 -1.93 -1.00 112.91 113.42 3i1h h THR 66 Ca 0.10 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3i1h h THR 66 Cb 0.07 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 3i1h h THR 66 CO -0.02 0.32 0.33 0.00 0.37 0.00 0.00 175.52 176.52 3i1h h ALA 67 N 1.01 0.64 -0.65 6.16 0.00 -0.84 0.10 119.26 125.68 3i1h h ALA 67 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3i1h h ALA 67 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3i1h h ALA 67 CO 0.00 0.07 0.06 -0.09 0.00 0.00 0.00 179.25 179.29 3i1h h ARG 68 N 0.67 1.10 -0.28 0.00 2.43 -0.43 -0.08 114.38 117.78 3i1h h ARG 68 Ca 0.19 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3i1h h ARG 68 Cb -0.06 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3i1h h ARG 68 CO -0.05 1.03 -0.04 1.15 -1.51 0.00 0.00 179.97 180.55 3i1h h THR 69 N 1.02 1.27 -0.54 0.20 2.02 -0.86 -1.62 112.91 114.41 3i1h h THR 69 Ca 0.19 -1.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.25 3i1h h THR 69 Cb 0.50 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 3i1h h THR 69 CO 0.02 0.33 -0.07 0.25 0.37 0.00 0.00 175.52 176.42 3i1h h LEU 70 N 0.29 0.97 0.34 2.58 5.85 -0.70 -1.30 115.31 123.33 3i1h h LEU 70 Ca 0.08 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3i1h h LEU 70 Cb 0.49 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3i1h h LEU 70 CO 0.02 1.06 -0.16 0.15 -0.34 0.00 0.00 178.44 179.17 3i1h h PHE 71 N 0.88 -0.42 -0.97 1.25 3.57 -0.93 -1.33 116.94 118.99 3i1h h PHE 71 Ca 0.15 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3i1h h PHE 71 Cb 0.61 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 3i1h h PHE 71 CO 0.04 -0.19 0.64 -0.91 -2.23 0.00 0.00 178.31 175.66 3i1h h ASN 72 N -0.57 1.06 -0.15 0.41 2.35 -1.20 0.18 115.58 117.67 3i1h h ASN 72 Ca -0.05 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3i1h h ASN 72 Cb 0.42 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3i1h h ASN 72 CO 0.08 0.72 0.00 1.56 -1.65 0.00 0.00 177.43 178.14 3i1h h GLN 73 N 1.23 0.26 -0.33 0.81 4.20 -1.16 -0.45 115.11 119.67 3i1h h GLN 73 Ca 0.39 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 3i1h h GLN 73 Cb 0.01 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3i1h h GLN 73 CO -0.12 0.49 0.20 0.28 -0.67 0.00 0.00 178.83 179.01 3i1h h VAL 74 N 0.01 1.11 -0.81 -0.54 2.07 -0.87 -1.84 116.25 115.38 3i1h h VAL 74 Ca 0.04 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3i1h h VAL 74 Cb 0.37 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3i1h h VAL 74 CO 0.01 0.11 0.39 0.24 0.02 0.00 0.00 177.57 178.34 3i1h h MET 75 N 0.43 1.16 -0.17 1.57 2.86 -0.60 -1.28 114.93 118.90 3i1h h MET 75 Ca 0.12 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3i1h h MET 75 Cb 0.00 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 3i1h h MET 75 CO -0.02 0.89 0.09 1.49 1.06 0.00 0.00 176.91 180.41 3i1h h GLU 76 N 1.15 0.24 -0.90 1.72 4.81 -0.73 -1.57 114.58 119.30 3i1h h GLU 76 Ca 0.28 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 3i1h h GLU 76 Cb 0.11 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3i1h h GLU 76 CO -0.04 0.26 0.51 -0.22 -0.73 0.00 0.00 179.01 178.80 3i1h h LYS 77 N 0.16 1.24 -0.53 1.92 1.63 -1.10 -0.47 116.57 119.43 3i1h h LYS 77 Ca 0.06 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 3i1h h LYS 77 Cb 0.09 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 3i1h h LYS 77 CO -0.01 0.89 0.03 1.49 -3.45 0.00 0.00 179.45 178.40 3i1h h GLU 78 N 1.25 0.92 -0.35 1.90 4.81 -1.01 -3.27 114.58 118.83 3i1h h GLU 78 Ca 0.32 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3i1h h GLU 78 Cb -0.01 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3i1h h GLU 78 CO -0.06 0.92 0.00 1.19 -0.73 0.00 0.00 179.01 180.33 3i1h n PHE 79 N -4.32 0.44 0.32 0.92 3.72 -0.61 -4.47 117.46 113.47 3i1h n PHE 79 Ca 0.02 -0.22 0.20 0.00 -0.05 0.00 0.00 57.45 57.40 3i1h n PHE 79 Cb 0.30 0.00 1.08 0.00 -0.94 0.00 0.00 39.48 39.93 3i1h n PHE 79 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3i1h h GLU 80 N 4.43 0.00 -0.01 -1.08 4.11 -1.13 -1.63 114.58 119.27 3i1h h GLU 80 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3i1h h GLU 80 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3i1h h GLU 80 CO 0.00 0.01 0.00 -0.40 0.07 0.00 0.00 179.01 178.69 3i1h n ASP 81 N -3.23 0.23 0.00 3.06 5.68 -1.26 -4.90 116.55 116.14 3i1h n ASP 81 Ca -0.02 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 3i1h n ASP 81 Cb 0.11 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3i1h n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i1h n GLY 82 N 0.92 1.72 3.74 6.12 0.00 -0.61 -5.00 105.19 112.08 3i1h n GLY 82 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3i1h n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1h s ILE 83 N -3.32 4.83 -0.05 -0.61 1.01 -1.26 -5.05 121.20 116.75 3i1h s ILE 83 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.19 3i1h s ILE 83 Cb 0.00 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.42 3i1h s ILE 83 CO 0.00 0.35 -0.04 -0.63 0.00 0.00 0.00 174.94 174.62 3i1h s ILE 84 N 0.12 0.53 0.18 2.92 1.01 -1.26 -4.85 121.20 119.85 3i1h s ILE 84 Ca 0.37 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.80 3i1h s ILE 84 Cb -0.19 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.70 3i1h s ILE 84 CO 0.21 0.23 0.38 0.54 0.00 0.00 0.00 174.94 176.31 3i1h s ASN 85 N 1.07 -0.07 0.37 3.58 2.20 -1.26 -5.05 114.94 115.78 3i1h s ASN 85 Ca -0.09 -0.75 0.06 0.00 -0.94 0.00 0.00 52.86 51.13 3i1h s ASN 85 Cb -0.14 0.50 0.75 0.00 -2.00 0.00 0.00 41.25 40.36 3i1h s ASN 85 CO -0.01 -0.97 1.99 -0.50 -2.94 0.00 0.00 177.10 174.67 3i1h h TRP 86 N 2.40 0.72 -0.34 1.54 -0.00 -2.00 -1.90 115.95 116.36 3i1h h TRP 86 Ca -0.30 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.64 3i1h h TRP 86 Cb 1.24 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 30.13 3i1h h TRP 86 CO 0.38 0.41 0.16 0.78 -0.00 0.00 0.00 178.44 180.17 3i1h h GLY 87 N 0.74 0.45 1.32 1.49 0.00 -2.00 -1.42 103.07 103.65 3i1h h GLY 87 Ca 0.27 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3i1h h GLY 87 CO -0.08 0.07 -0.08 3.21 0.00 0.00 0.00 176.54 179.67 3i1h h ARG 88 N 0.33 0.81 -0.21 4.80 3.08 -1.78 -2.62 114.38 118.78 3i1h h ARG 88 Ca 0.15 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 3i1h h ARG 88 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i1h h ARG 88 CO -0.12 0.87 -0.15 0.82 -1.07 0.00 0.00 179.97 180.32 3i1h h ILE 89 N 0.74 1.22 -0.42 2.04 2.04 -1.05 -1.99 117.51 120.08 3i1h h ILE 89 Ca 0.13 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 3i1h h ILE 89 Cb 0.56 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3i1h h ILE 89 CO 0.03 0.31 -0.08 0.58 0.00 0.00 0.00 178.15 178.99 3i1h h VAL 90 N 0.33 1.25 0.00 1.67 2.07 -0.91 -2.48 116.25 118.19 3i1h h VAL 90 Ca 0.06 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3i1h h VAL 90 Cb 0.47 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3i1h h VAL 90 CO 0.03 0.38 0.00 0.71 0.02 0.00 0.00 177.57 178.71 3i1h h THR 91 N 0.68 0.00 -0.28 2.57 1.35 -1.07 -2.17 112.91 113.98 3i1h h THR 91 Ca 0.12 -0.36 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 3i1h h THR 91 Cb 0.54 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3i1h h THR 91 CO 0.03 0.00 0.01 0.40 -0.25 0.00 0.00 175.52 175.71 3i1h h ILE 92 N 0.00 1.25 -0.51 6.82 2.04 -1.27 -0.34 117.51 125.50 3i1h h ILE 92 Ca 0.00 -0.91 -0.12 0.00 1.00 0.00 0.00 64.86 64.84 3i1h h ILE 92 Cb 0.37 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3i1h h ILE 92 CO 0.00 0.29 -0.13 -0.26 0.00 0.00 0.00 178.15 178.05 3i1h h PHE 93 N 0.29 1.12 -0.19 1.37 0.04 -1.46 -1.87 116.94 116.24 3i1h h PHE 93 Ca 0.08 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 60.64 3i1h h PHE 93 Cb 0.41 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 3i1h h PHE 93 CO 0.03 1.06 0.01 0.00 -0.60 0.00 0.00 178.31 178.82 3i1h h ALA 94 N 0.90 0.18 -0.71 2.45 0.00 -1.22 -1.22 119.26 119.64 3i1h h ALA 94 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i1h h ALA 94 Cb 0.70 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3i1h h ALA 94 CO 0.05 -0.42 0.46 0.35 0.00 0.00 0.00 179.25 179.69 3i1h h PHE 95 N 0.08 0.91 -0.41 0.00 3.57 -0.89 -0.29 116.94 119.91 3i1h h PHE 95 Ca 0.09 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3i1h h PHE 95 Cb 0.10 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3i1h h PHE 95 CO -0.16 0.58 0.05 1.49 -2.23 0.00 0.00 178.31 178.05 3i1h h GLU 96 N 0.97 0.62 -0.46 1.11 4.81 -0.75 -0.81 114.58 120.07 3i1h h GLU 96 Ca 0.26 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3i1h h GLU 96 Cb -0.09 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3i1h h GLU 96 CO -0.05 0.60 -0.09 0.78 -0.73 0.00 0.00 179.01 179.52 3i1h h GLY 97 N 0.86 0.89 1.06 1.92 0.00 0.10 -1.10 103.07 106.80 3i1h h GLY 97 Ca 0.13 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 3i1h h GLY 97 CO 0.00 0.61 -0.08 -2.22 0.00 0.00 0.00 176.54 174.85 3i1h h ILE 98 N 0.75 1.27 -0.40 2.60 2.04 -0.62 -2.55 117.51 120.60 3i1h h ILE 98 Ca 0.13 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 3i1h h ILE 98 Cb 0.58 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3i1h h ILE 98 CO 0.04 0.43 0.09 -0.07 0.00 0.00 0.00 178.15 178.63 3i1h h LEU 99 N 0.84 0.62 -0.87 1.44 3.38 -0.94 -1.91 115.31 117.87 3i1h h LEU 99 Ca 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3i1h h LEU 99 Cb 0.64 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3i1h h LEU 99 CO 0.04 0.70 0.39 -0.29 0.09 0.00 0.00 178.44 179.37 3i1h h ILE 100 N 0.51 1.26 -0.30 1.22 6.09 -1.16 0.18 117.51 125.31 3i1h h ILE 100 Ca 0.12 -0.74 -0.01 0.00 -1.37 0.00 0.00 64.86 62.87 3i1h h ILE 100 Cb 0.33 0.19 -0.01 0.00 0.47 0.00 0.00 36.82 37.80 3i1h h ILE 100 CO 0.00 0.32 0.15 0.11 -3.07 0.00 0.00 178.15 175.66 3i1h h LYS 101 N 1.20 0.43 -0.38 2.19 1.57 -1.31 0.88 116.57 121.15 3i1h h LYS 101 Ca 0.29 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 3i1h h LYS 101 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3i1h h LYS 101 CO -0.03 0.39 -0.16 0.87 -0.57 0.00 0.00 179.45 179.95 3i1h h LYS 102 N 0.36 0.70 -0.46 3.15 1.57 -1.00 -2.97 116.57 117.91 3i1h h LYS 102 Ca 0.10 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3i1h h LYS 102 Cb 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3i1h h LYS 102 CO -0.01 0.82 0.02 1.25 -0.57 0.00 0.00 179.45 180.96 3i1h h LEU 103 N 0.63 0.78 -1.30 2.94 5.85 -0.26 0.96 115.31 124.90 3i1h h LEU 103 Ca 0.10 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.63 3i1h h LEU 103 Cb 0.62 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3i1h h LEU 103 CO 0.04 0.88 0.54 0.25 -0.34 0.00 0.00 178.44 179.81 3i1h h LEU 104 N 0.65 0.70 0.13 2.25 5.85 -0.68 0.21 115.31 124.42 3i1h h LEU 104 Ca 0.13 0.02 -0.35 0.00 0.84 0.00 0.00 57.88 58.53 3i1h h LEU 104 Cb 0.47 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3i1h h LEU 104 CO 0.02 0.41 -1.84 -0.09 -0.34 0.00 0.00 178.44 176.59 3i1h h ARG 105 N 0.77 0.28 0.00 1.25 9.65 -1.39 -3.41 114.38 121.52 3i1h h ARG 105 Ca 0.39 -0.48 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 3i1h h ARG 105 Cb 0.46 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3i1h h ARG 105 CO -0.16 1.17 -1.38 1.04 2.80 0.00 0.00 179.97 183.45 3i1h n GLN 106 N -3.47 0.26 -1.64 0.20 6.02 0.32 -4.95 117.38 114.12 3i1h n GLN 106 Ca -0.26 -0.08 -0.44 0.00 -0.01 0.00 0.00 57.00 56.21 3i1h n GLN 106 Cb 1.06 -1.51 -0.04 0.00 1.02 0.00 0.00 30.24 30.77 3i1h n GLN 106 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3i1h n GLN 107 N -1.81 2.40 -0.05 -1.09 7.27 0.71 -4.28 117.38 120.53 3i1h n GLN 107 Ca 0.01 0.83 -0.10 0.00 0.07 0.00 0.00 57.00 57.81 3i1h n GLN 107 Cb 0.43 -2.97 -0.03 0.00 2.41 0.00 0.00 30.24 30.08 3i1h n GLN 107 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 3i1h h ILE 108 N 6.08 1.04 -3.42 1.69 2.04 -1.50 -3.31 117.51 120.13 3i1h h ILE 108 Ca -0.46 -0.09 -0.73 0.00 1.00 0.00 0.00 64.86 64.58 3i1h h ILE 108 Cb 1.25 0.74 -0.34 0.00 -0.74 0.00 0.00 36.82 37.74 3i1h h ILE 108 CO 0.95 0.05 -0.02 0.00 0.00 0.00 0.00 178.15 179.13 3i1h s ALA 109 N -6.17 4.25 -0.54 1.87 0.00 -1.26 -5.02 121.76 114.89 3i1h s ALA 109 Ca -0.13 -3.75 -0.13 0.00 0.00 0.00 0.00 51.96 47.95 3i1h s ALA 109 Cb 0.09 -2.98 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 3i1h s ALA 109 CO 0.69 -2.16 1.55 -2.30 0.00 0.00 0.00 175.76 173.55 3i1h n PRO 110 N 2.62 0.04 -3.16 0.00 -0.02 -1.25 -4.87 135.00 128.36 3i1h n PRO 110 Ca 0.20 -0.85 -0.45 0.00 -2.02 0.00 0.00 63.50 60.38 3i1h n PRO 110 Cb 0.38 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 3i1h n PRO 110 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i1h s ASP 111 N 4.26 6.45 0.00 2.55 2.15 -1.26 -4.91 116.67 125.91 3i1h s ASP 111 Ca 0.41 -1.97 0.00 0.00 0.43 0.00 0.00 52.55 51.41 3i1h s ASP 111 Cb -0.02 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3i1h s ASP 111 CO 0.09 -0.91 0.00 0.52 -0.17 0.00 0.00 175.17 174.70 3i1h n VAL 112 N 5.03 0.00 -2.82 1.11 0.31 -1.26 -1.85 118.33 118.84 3i1h n VAL 112 Ca 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.36 3i1h n VAL 112 Cb 0.45 -0.05 0.05 0.00 -0.91 0.00 0.00 33.84 33.38 3i1h n VAL 112 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i1h n ASP 113 N 0.50 1.47 -0.00 4.52 2.03 -1.26 -4.74 116.55 119.07 3i1h n ASP 113 Ca 0.00 -2.07 0.03 0.00 0.52 0.00 0.00 54.79 53.26 3i1h n ASP 113 Cb 0.00 -0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.92 3i1h n ASP 113 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3i1h n THR 114 N -0.59 0.00 0.33 5.18 -2.24 -0.77 -4.47 114.28 111.72 3i1h n THR 114 Ca 0.06 -0.36 0.15 0.00 -2.27 0.00 0.00 64.05 61.64 3i1h n THR 114 Cb 0.80 0.96 0.59 0.00 -2.10 0.00 0.00 70.33 70.58 3i1h n THR 114 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3i1h h TYR 115 N 0.00 0.00 0.00 4.78 0.05 -1.85 -1.80 116.97 118.15 3i1h h TYR 115 Ca 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 3i1h h TYR 115 Cb 0.14 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 3i1h h TYR 115 CO 0.00 0.00 -0.91 0.87 -1.05 0.00 0.00 178.16 177.07 3i1h h LYS 116 N 0.00 0.00 -0.01 4.88 1.79 -1.94 -2.89 116.57 118.40 3i1h h LYS 116 Ca 0.00 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 3i1h h LYS 116 Cb 0.49 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 3i1h h LYS 116 CO 0.00 0.71 -0.75 1.49 -1.08 0.00 0.00 179.45 179.81 3i1h h GLU 117 N 0.00 0.11 -0.16 3.15 4.22 -1.61 -2.00 114.58 118.30 3i1h h GLU 117 Ca -0.04 -0.11 -0.05 0.00 0.08 0.00 0.00 59.36 59.24 3i1h h GLU 117 Cb 1.63 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 3i1h h GLU 117 CO 0.09 0.81 -0.09 0.82 -2.18 0.00 0.00 179.01 178.47 3i1h h ILE 118 N 0.07 1.32 -0.20 2.32 2.04 -1.45 -1.63 117.51 119.98 3i1h h ILE 118 Ca -0.02 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3i1h h ILE 118 Cb 1.33 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 3i1h h ILE 118 CO 0.11 0.34 0.09 0.28 0.00 0.00 0.00 178.15 178.97 3i1h h SER 119 N -0.00 0.24 0.01 1.72 0.02 -1.46 -1.12 113.55 112.96 3i1h h SER 119 Ca 0.03 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3i1h h SER 119 Cb 0.57 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3i1h h SER 119 CO 0.02 0.22 -0.01 0.22 -1.14 0.00 0.00 176.83 176.14 3i1h h TYR 120 N 0.28 -0.02 0.00 3.45 3.20 -1.02 -1.38 116.97 121.47 3i1h h TYR 120 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3i1h h TYR 120 Cb 0.04 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3i1h h TYR 120 CO 0.00 0.30 0.00 0.27 -1.64 0.00 0.00 178.16 177.09 3i1h h PHE 121 N -0.34 0.00 -0.06 -3.82 -5.15 -0.65 0.32 116.94 107.25 3i1h h PHE 121 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 3i1h h PHE 121 Cb 0.32 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.49 3i1h h PHE 121 CO 0.03 0.00 -0.09 0.28 -2.00 0.00 0.00 178.31 176.54 3i1h h VAL 122 N 0.00 1.40 -0.16 0.88 2.07 -1.17 -1.81 116.25 117.47 3i1h h VAL 122 Ca 0.00 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.19 3i1h h VAL 122 Cb 0.73 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3i1h h VAL 122 CO 0.00 0.37 0.05 0.00 0.02 0.00 0.00 177.57 178.01 3i1h h ALA 123 N 0.50 0.17 -0.55 1.67 0.00 -0.91 -1.86 119.26 118.28 3i1h h ALA 123 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3i1h h ALA 123 Cb 0.64 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3i1h h ALA 123 CO 0.02 -0.39 0.03 1.49 0.00 0.00 0.00 179.25 180.40 3i1h h GLU 124 N 0.12 0.15 0.20 0.00 4.81 -0.93 0.17 114.58 119.10 3i1h h GLU 124 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3i1h h GLU 124 Cb 0.04 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3i1h h GLU 124 CO -0.07 0.10 -0.10 0.35 -0.73 0.00 0.00 179.01 178.56 3i1h h PHE 125 N 0.15 -0.25 -0.16 0.92 3.57 -0.94 -2.16 116.94 118.07 3i1h h PHE 125 Ca 0.28 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.82 3i1h h PHE 125 Cb 0.44 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 3i1h h PHE 125 CO -0.31 -0.03 -0.09 0.82 -2.23 0.00 0.00 178.31 176.47 3i1h h ILE 126 N -0.43 0.71 0.47 1.41 2.04 -1.07 0.43 117.51 121.07 3i1h h ILE 126 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3i1h h ILE 126 Cb 0.33 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3i1h h ILE 126 CO 0.05 0.00 -0.42 -0.03 0.00 0.00 0.00 178.15 177.74 3i1h h MET 127 N -0.09 -0.87 0.00 2.37 4.05 -0.66 0.15 114.93 119.89 3i1h h MET 127 Ca 0.09 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 3i1h h MET 127 Cb 0.23 0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 3i1h h MET 127 CO -0.22 -0.58 -0.12 -0.91 0.23 0.00 0.00 176.91 175.32 3i1h h ASN 128 N -0.90 0.00 0.00 1.39 2.35 -1.32 -1.92 115.58 115.18 3i1h h ASN 128 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3i1h h ASN 128 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3i1h h ASN 128 CO -0.04 0.12 -1.10 0.59 -1.65 0.00 0.00 177.43 175.36 3i1h n ASN 129 N -3.29 2.01 0.00 5.81 3.02 0.13 -4.74 115.26 118.21 3i1h n ASN 129 Ca 0.00 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3i1h n ASN 129 Cb 0.35 1.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 3i1h n ASN 129 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3i1h n THR 130 N -1.62 0.00 -0.32 3.41 -2.24 0.42 -4.87 114.28 109.06 3i1h n THR 130 Ca -0.01 -0.08 0.07 0.00 -2.27 0.00 0.00 64.05 61.76 3i1h n THR 130 Cb 0.21 1.70 0.23 0.00 -2.10 0.00 0.00 70.33 70.37 3i1h n THR 130 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3i1h h GLY 131 N 0.00 1.48 0.93 3.38 0.00 -0.46 0.92 103.07 109.32 3i1h h GLY 131 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3i1h h GLY 131 CO 0.00 0.05 -0.32 0.83 0.00 0.00 0.00 176.54 177.10 3i1h h GLU 132 N 0.78 0.63 -0.66 4.80 5.08 -1.90 -2.29 114.58 121.02 3i1h h GLU 132 Ca 0.47 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3i1h h GLU 132 Cb 0.57 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3i1h h GLU 132 CO -0.31 0.97 0.29 2.35 -1.00 0.00 0.00 179.01 181.31 3i1h h TRP 133 N 0.33 0.98 -0.04 4.33 7.01 -1.78 -1.39 115.95 125.40 3i1h h TRP 133 Ca 0.03 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 60.99 3i1h h TRP 133 Cb 0.90 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.63 3i1h h TRP 133 CO 0.08 0.76 -0.13 0.82 -2.79 0.00 0.00 178.44 177.18 3i1h h ILE 134 N 0.93 0.66 -0.01 2.65 2.04 -0.77 0.01 117.51 123.02 3i1h h ILE 134 Ca 0.22 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.11 3i1h h ILE 134 Cb 0.17 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3i1h h ILE 134 CO -0.02 0.00 -0.15 -0.09 0.00 0.00 0.00 178.15 177.89 3i1h h ARG 135 N -0.20 -0.23 0.00 2.37 2.43 -1.20 0.10 114.38 117.65 3i1h h ARG 135 Ca 0.06 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3i1h h ARG 135 Cb 0.28 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i1h h ARG 135 CO -0.16 -0.15 -0.02 1.96 -1.51 0.00 0.00 179.97 180.09 3i1h h GLN 136 N -0.24 0.00 -0.51 0.20 4.20 -1.02 -2.26 115.11 115.48 3i1h h GLN 136 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3i1h h GLN 136 Cb 0.31 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 3i1h h GLN 136 CO -0.15 0.02 0.09 0.09 -0.67 0.00 0.00 178.83 178.21 3i1h n ASN 137 N -3.21 4.52 0.00 1.46 3.02 -0.03 -4.94 115.26 116.08 3i1h n ASN 137 Ca -0.02 -3.15 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 3i1h n ASN 137 Cb 0.16 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.67 3i1h n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1h n GLY 138 N -0.19 0.87 7.00 7.41 0.00 -0.85 -4.16 105.19 115.27 3i1h n GLY 138 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3i1h n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1h n GLY 139 N -2.04 -0.78 0.11 -0.02 0.00 0.28 -1.01 105.19 101.73 3i1h n GLY 139 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 3i1h n GLY 139 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i1h h TRP 140 N 0.00 0.32 -0.36 1.61 4.06 -1.94 0.67 115.95 120.30 3i1h h TRP 140 Ca 0.00 -0.13 -0.14 0.00 2.06 0.00 0.00 58.89 60.68 3i1h h TRP 140 Cb 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.10 3i1h h TRP 140 CO 0.00 0.80 -0.33 0.93 -3.56 0.00 0.00 178.44 176.29 3i1h h GLU 141 N -0.25 0.86 -0.06 0.49 5.08 -1.97 0.13 114.58 118.85 3i1h h GLU 141 Ca -0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3i1h h GLU 141 Cb 0.81 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3i1h h GLU 141 CO 0.04 1.09 0.00 0.09 -1.00 0.00 0.00 179.01 179.23 3i1h n ASN 142 N -4.14 2.95 0.00 1.42 3.02 -0.55 -3.86 115.26 114.10 3i1h n ASN 142 Ca -0.02 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3i1h n ASN 142 Cb 0.51 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3i1h n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1h n GLY 143 N 1.30 0.15 0.48 7.41 0.00 0.15 -4.66 105.19 110.02 3i1h n GLY 143 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 3i1h n GLY 143 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i1h h PHE 144 N 0.00 -1.28 -0.82 1.61 3.57 -1.12 -2.78 116.94 116.13 3i1h h PHE 144 Ca 0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 3i1h h PHE 144 Cb 0.00 0.48 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 3i1h h PHE 144 CO 0.00 -0.67 0.47 0.28 -2.23 0.00 0.00 178.31 176.17 3i1h h VAL 145 N -1.05 0.93 -0.77 1.41 2.07 -1.16 -0.91 116.25 116.77 3i1h h VAL 145 Ca -0.08 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3i1h h VAL 145 Cb 0.87 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3i1h h VAL 145 CO 0.03 0.15 0.44 0.11 0.02 0.00 0.00 177.57 178.31 3i1h h LYS 146 N 0.80 1.05 0.02 1.57 1.79 -1.66 0.16 116.57 120.31 3i1h h LYS 146 Ca 0.39 -0.11 -0.21 0.00 -2.18 0.00 0.00 60.65 58.55 3i1h h LYS 146 Cb 0.33 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3i1h h LYS 146 CO -0.24 0.76 -0.95 -0.22 -1.08 0.00 0.00 179.45 177.72 3i1h h LYS 147 N 1.07 0.14 -0.01 3.15 3.64 -1.06 -3.37 116.57 120.13 3i1h h LYS 147 Ca 0.27 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3i1h h LYS 147 Cb -0.01 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3i1h h LYS 147 CO -0.05 0.99 -0.33 1.19 -2.27 0.00 0.00 179.45 178.98 3i1h n PHE 148 N -3.57 0.00 -1.27 1.91 3.72 -0.42 -5.02 117.46 112.82 3i1h n PHE 148 Ca -0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 3i1h n PHE 148 Cb 0.86 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.50 3i1h n PHE 148 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3i1h s GLU 149 N -1.67 2.09 0.00 -1.08 -1.05 0.03 -5.03 118.70 111.99 3i1h s GLU 149 Ca 0.08 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 3i1h s GLU 149 Cb 0.09 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 3i1h s GLU 149 CO 0.34 -1.80 0.44 -2.30 0.95 0.00 0.00 175.26 172.90