#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1phn s LEU 2 N 0.00 2.48 0.52 3.17 1.43 -1.26 -5.06 118.68 119.96 1phn s LEU 2 Ca 0.00 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.20 1phn s LEU 2 Cb 0.00 0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.31 1phn s LEU 2 CO 0.00 -0.51 0.35 1.51 0.23 0.00 0.00 176.35 177.93 1phn s ASP 3 N -2.84 4.59 0.52 2.29 1.47 -1.26 -4.63 116.67 116.81 1phn s ASP 3 Ca 0.07 -1.24 0.16 0.00 1.18 0.00 0.00 52.55 52.72 1phn s ASP 3 Cb 0.05 0.30 1.27 0.00 -0.34 0.00 0.00 42.92 44.21 1phn s ASP 3 CO -0.07 -1.01 2.15 0.00 0.68 0.00 0.00 175.17 176.91 1phn h ALA 4 N 0.87 2.01 -0.14 2.11 0.00 -1.37 -1.86 119.26 120.87 1phn h ALA 4 Ca -0.38 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1phn h ALA 4 Cb 1.30 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1phn h ALA 4 CO 0.60 -0.01 -0.50 0.74 0.00 0.00 0.00 179.25 180.08 1phn h PHE 5 N 0.00 0.78 -0.16 0.00 -1.00 -1.95 -3.22 116.94 111.39 1phn h PHE 5 Ca 0.00 -0.32 -0.12 0.00 2.81 0.00 0.00 57.97 60.34 1phn h PHE 5 Cb 0.01 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.43 1phn h PHE 5 CO -0.00 1.10 -0.41 0.00 -1.61 0.00 0.00 178.31 177.40 1phn h ALA 6 N 0.52 1.00 -0.79 2.45 0.00 -1.88 -2.79 119.26 117.77 1phn h ALA 6 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1phn h ALA 6 Cb 1.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1phn h ALA 6 CO 0.11 0.61 0.48 -0.22 0.00 0.00 0.00 179.25 180.23 1phn h LYS 7 N 0.31 1.07 -0.52 0.00 3.64 -1.40 -1.12 116.57 118.54 1phn h LYS 7 Ca 0.03 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 1phn h LYS 7 Cb 0.85 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1phn h LYS 7 CO 0.07 0.75 -0.15 0.28 -2.27 0.00 0.00 179.45 178.14 1phn h VAL 8 N 1.08 1.27 -0.26 2.00 2.07 -1.52 -2.83 116.25 118.06 1phn h VAL 8 Ca 0.28 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1phn h VAL 8 Cb -0.04 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1phn h VAL 8 CO -0.05 0.46 0.08 0.58 0.02 0.00 0.00 177.57 178.66 1phn h VAL 9 N 0.90 1.19 -0.86 2.57 2.07 -1.23 -1.98 116.25 118.91 1phn h VAL 9 Ca 0.13 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1phn h VAL 9 Cb 0.72 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1phn h VAL 9 CO 0.06 0.20 0.56 0.00 0.02 0.00 0.00 177.57 178.41 1phn h ALA 10 N 0.92 1.37 -0.35 1.67 0.00 -1.20 0.02 119.26 121.69 1phn h ALA 10 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1phn h ALA 10 Cb 0.23 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1phn h ALA 10 CO -0.00 0.58 0.00 1.96 0.00 0.00 0.00 179.25 181.79 1phn h GLN 11 N 1.17 0.61 -0.62 0.00 4.20 -1.38 -2.65 115.11 116.45 1phn h GLN 11 Ca 0.32 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 1phn h GLN 11 Cb -0.12 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1phn h GLN 11 CO -0.07 0.73 0.08 0.00 -0.67 0.00 0.00 178.83 178.90 1phn h ALA 12 N 0.86 0.82 -0.89 3.87 0.00 -0.94 -3.11 119.26 119.86 1phn h ALA 12 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1phn h ALA 12 Cb 0.45 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1phn h ALA 12 CO 0.02 0.60 0.48 0.22 0.00 0.00 0.00 179.25 180.56 1phn h ASP 13 N 0.94 1.13 -0.01 0.00 3.58 -0.95 0.39 116.42 121.49 1phn h ASP 13 Ca 0.18 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1phn h ASP 13 Cb 0.46 -0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 1phn h ASP 13 CO 0.02 0.91 0.02 0.00 -2.88 0.00 0.00 179.24 177.31 1phn h ALA 14 N 1.26 1.48 -0.01 -0.78 0.00 -1.40 0.97 119.26 120.78 1phn h ALA 14 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1phn h ALA 14 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1phn h ALA 14 CO -0.05 -0.03 -0.43 0.54 0.00 0.00 0.00 179.25 179.28 1phn n ARG 15 N -3.75 1.38 -2.59 0.00 1.74 -0.65 -4.98 116.66 107.81 1phn n ARG 15 Ca -0.03 -0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 56.01 1phn n ARG 15 Cb 0.10 -1.40 0.01 0.00 -1.02 0.00 0.00 32.46 30.15 1phn n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1phn n GLY 16 N 1.32 -0.04 3.67 -0.13 0.00 0.33 -5.02 105.19 105.32 1phn n GLY 16 Ca 0.08 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1phn n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1phn s GLU 17 N -5.07 2.43 0.50 1.61 2.02 -0.28 -4.99 118.70 114.92 1phn s GLU 17 Ca 0.14 -1.03 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 1phn s GLU 17 Cb -0.06 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.71 1phn s GLU 17 CO 0.17 0.48 0.90 -0.06 0.02 0.00 0.00 175.26 176.76 1phn s PHE 18 N -1.60 3.51 0.47 1.61 0.08 -1.26 -4.44 117.98 116.36 1phn s PHE 18 Ca 0.27 1.20 -0.21 0.00 0.12 0.00 0.00 56.93 58.30 1phn s PHE 18 Cb -0.10 -2.59 -0.08 0.00 -0.57 0.00 0.00 43.02 39.68 1phn s PHE 18 CO 0.18 -0.35 1.07 -0.51 -0.10 0.00 0.00 175.22 175.52 1phn s LEU 19 N -4.35 3.91 0.70 -0.37 1.43 -1.26 -5.02 118.68 113.73 1phn s LEU 19 Ca 0.54 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 1phn s LEU 19 Cb -0.10 -4.44 0.02 0.00 0.03 0.00 0.00 46.19 41.70 1phn s LEU 19 CO 0.38 -0.82 1.08 -0.94 0.23 0.00 0.00 176.35 176.29 1phn s SER 20 N -1.77 5.36 0.30 2.29 1.04 -1.26 -4.89 113.70 114.77 1phn s SER 20 Ca 0.66 1.03 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 1phn s SER 20 Cb -0.21 -1.82 0.44 0.00 0.10 0.00 0.00 66.02 64.54 1phn s SER 20 CO 0.25 -1.37 1.96 0.78 0.98 0.00 0.00 173.24 175.84 1phn h ASN 21 N -0.64 0.93 0.20 7.02 2.35 -1.99 -1.45 115.58 122.01 1phn h ASN 21 Ca -0.45 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.18 1phn h ASN 21 Cb 1.26 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1phn h ASN 21 CO 0.64 0.69 -0.32 0.71 -1.65 0.00 0.00 177.43 177.49 1phn h THR 22 N 1.09 1.27 -0.42 2.81 1.35 -1.99 0.13 112.91 117.15 1phn h THR 22 Ca 0.29 -1.27 -0.15 0.00 -0.55 0.00 0.00 66.41 64.73 1phn h THR 22 Cb -0.10 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1phn h THR 22 CO -0.06 0.38 -0.32 1.56 -0.25 0.00 0.00 175.52 176.83 1phn h GLN 23 N 0.17 0.95 -0.59 4.72 4.20 -1.77 -0.87 115.11 121.93 1phn h GLN 23 Ca 0.02 -0.47 -0.08 0.00 0.06 0.00 0.00 58.65 58.19 1phn h GLN 23 Cb 0.66 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1phn h GLN 23 CO 0.05 1.13 0.05 -0.07 -0.67 0.00 0.00 178.83 179.32 1phn h LEU 24 N 0.79 0.97 -0.58 1.46 3.38 -0.64 -1.66 115.31 119.03 1phn h LEU 24 Ca 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1phn h LEU 24 Cb 0.91 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1phn h LEU 24 CO 0.08 1.01 0.37 0.44 0.09 0.00 0.00 178.44 180.44 1phn h ASP 25 N 0.90 0.68 -0.71 -0.43 3.32 -0.58 -0.85 116.42 118.74 1phn h ASP 25 Ca 0.17 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1phn h ASP 25 Cb 0.48 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1phn h ASP 25 CO 0.02 0.51 0.44 0.00 -1.72 0.00 0.00 179.24 178.49 1phn h ALA 26 N 1.20 1.42 -0.11 3.45 0.00 -0.78 -1.48 119.26 122.96 1phn h ALA 26 Ca 0.21 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1phn h ALA 26 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1phn h ALA 26 CO -0.04 0.51 -0.61 -0.07 0.00 0.00 0.00 179.25 179.04 1phn h LEU 27 N 0.99 0.42 -0.61 0.00 3.38 -0.67 -2.69 115.31 116.13 1phn h LEU 27 Ca 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1phn h LEU 27 Cb -0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1phn h LEU 27 CO -0.05 0.93 0.26 0.28 0.09 0.00 0.00 178.44 179.95 1phn h SER 28 N 0.28 0.82 -0.43 -0.43 0.02 -0.53 -1.96 113.55 111.32 1phn h SER 28 Ca -0.01 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1phn h SER 28 Cb 1.13 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1phn h SER 28 CO 0.10 0.75 0.15 0.50 -1.14 0.00 0.00 176.83 177.20 1phn h LYS 29 N 0.84 0.72 -0.24 3.45 3.64 -1.19 -1.34 116.57 122.44 1phn h LYS 29 Ca 0.21 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1phn h LYS 29 Cb 0.17 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1phn h LYS 29 CO -0.02 0.62 -0.26 1.98 -2.27 0.00 0.00 179.45 179.51 1phn h MET 30 N 0.70 0.47 -0.43 1.90 4.05 -1.08 -1.98 114.93 118.56 1phn h MET 30 Ca 0.16 -0.18 -0.08 0.00 -0.28 0.00 0.00 59.70 59.32 1phn h MET 30 Cb 0.21 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 1phn h MET 30 CO -0.01 0.69 -0.08 0.28 0.23 0.00 0.00 176.91 178.02 1phn h VAL 31 N 0.41 1.25 -0.78 -5.77 2.07 -0.62 -2.87 116.25 109.95 1phn h VAL 31 Ca 0.06 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1phn h VAL 31 Cb 0.67 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1phn h VAL 31 CO 0.05 0.38 0.41 0.28 0.02 0.00 0.00 177.57 178.71 1phn h SER 32 N 0.69 0.98 0.00 0.57 0.02 -0.54 -1.29 113.55 113.97 1phn h SER 32 Ca 0.12 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1phn h SER 32 Cb 0.53 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1phn h SER 32 CO 0.03 0.79 0.00 -0.62 -1.14 0.00 0.00 176.83 175.90 1phn n GLU 33 N -4.34 0.91 -0.17 3.45 -0.58 -0.93 -4.34 120.64 114.66 1phn n GLU 33 Ca 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.80 1phn n GLU 33 Cb 0.11 -1.38 0.07 0.00 -0.57 0.00 0.00 31.44 29.67 1phn n GLU 33 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1phn h GLY 34 N 4.80 0.59 1.16 0.62 0.00 -1.10 -1.87 103.07 107.27 1phn h GLY 34 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1phn h GLY 34 CO 0.00 -0.11 0.32 3.43 0.00 0.00 0.00 176.54 180.18 1phn h ASN 35 N 0.18 0.98 -0.42 0.19 2.35 -1.80 -1.76 115.58 115.29 1phn h ASN 35 Ca 0.26 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1phn h ASN 35 Cb 0.38 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1phn h ASN 35 CO -0.39 0.85 0.15 0.11 -1.65 0.00 0.00 177.43 176.51 1phn h LYS 36 N 1.06 0.64 -0.96 0.81 1.57 -1.75 -1.61 116.57 116.33 1phn h LYS 36 Ca 0.25 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1phn h LYS 36 Cb 0.16 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 1phn h LYS 36 CO -0.03 0.61 0.64 -0.09 -0.57 0.00 0.00 179.45 180.01 1phn h ARG 37 N 0.54 1.26 -0.41 3.15 2.43 -0.96 -1.91 114.38 118.48 1phn h ARG 37 Ca 0.14 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1phn h ARG 37 Cb 0.22 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1phn h ARG 37 CO -0.01 0.83 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.06 1phn h LEU 38 N 1.29 0.76 -0.61 3.80 3.38 -0.99 -2.35 115.31 120.60 1phn h LEU 38 Ca 0.35 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1phn h LEU 38 Cb -0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1phn h LEU 38 CO -0.08 0.93 0.31 0.44 0.09 0.00 0.00 178.44 180.12 1phn h ASP 39 N 0.68 0.79 0.33 -0.43 3.32 -0.66 -0.88 116.42 119.56 1phn h ASP 39 Ca 0.11 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1phn h ASP 39 Cb 0.65 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1phn h ASP 39 CO 0.05 0.68 -0.16 0.58 -1.72 0.00 0.00 179.24 178.67 1phn h VAL 40 N 0.83 0.68 -0.42 -1.35 2.07 -1.11 0.20 116.25 117.16 1phn h VAL 40 Ca 0.21 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.73 1phn h VAL 40 Cb 0.09 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1phn h VAL 40 CO -0.03 0.01 0.21 0.58 0.02 0.00 0.00 177.57 178.36 1phn h VAL 41 N -0.46 0.97 -0.26 2.57 2.07 -1.34 -0.79 116.25 119.01 1phn h VAL 41 Ca -0.05 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1phn h VAL 41 Cb 0.35 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1phn h VAL 41 CO 0.07 0.08 0.17 -1.13 0.02 0.00 0.00 177.57 176.78 1phn h ASN 42 N 0.42 0.28 -0.44 0.57 -1.24 -1.10 -0.36 115.58 113.71 1phn h ASN 42 Ca 0.18 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 1phn h ASN 42 Cb 0.08 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 1phn h ASN 42 CO -0.12 0.20 0.26 0.03 -1.29 0.00 0.00 177.43 176.51 1phn h ARG 43 N 0.34 0.60 0.05 6.67 3.08 -0.64 -0.42 114.38 124.07 1phn h ARG 43 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1phn h ARG 43 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1phn h ARG 43 CO -0.03 0.45 -0.03 0.82 -1.07 0.00 0.00 179.97 180.11 1phn h ILE 44 N 0.58 1.07 -0.25 2.04 2.04 -0.97 -2.95 117.51 119.07 1phn h ILE 44 Ca 0.16 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1phn h ILE 44 Cb 0.01 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1phn h ILE 44 CO -0.03 0.11 -0.02 0.74 0.00 0.00 0.00 178.15 178.94 1phn h THR 45 N -0.26 0.79 0.00 -0.27 2.02 -0.98 -1.76 112.91 112.45 1phn h THR 45 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1phn h THR 45 Cb 0.23 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1phn h THR 45 CO 0.01 0.01 0.00 0.28 0.37 0.00 0.00 175.52 176.19 1phn h SER 46 N 0.05 0.00 0.00 4.18 0.02 -1.05 -2.12 113.55 114.62 1phn h SER 46 Ca 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1phn h SER 46 Cb 0.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1phn h SER 46 CO -0.22 0.00 -0.09 0.59 -1.14 0.00 0.00 176.83 175.97 1phn n ASN 47 N -2.79 2.13 -0.07 3.07 4.13 -0.89 -4.86 115.26 115.98 1phn n ASN 47 Ca -0.02 -3.09 -0.07 0.00 1.68 0.00 0.00 54.58 53.07 1phn n ASN 47 Cb 0.07 -0.42 -0.01 0.00 -1.54 0.00 0.00 39.78 37.87 1phn n ASN 47 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1phn h ALA 48 N 0.10 0.29 -0.93 5.41 0.00 -0.62 -0.80 119.26 122.70 1phn h ALA 48 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1phn h ALA 48 Cb 1.03 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1phn h ALA 48 CO 0.00 -0.36 0.55 0.77 0.00 0.00 0.00 179.25 180.22 1phn h SER 49 N 0.16 1.13 -0.37 0.00 0.02 -1.89 -1.57 113.55 111.02 1phn h SER 49 Ca 0.13 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1phn h SER 49 Cb 0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1phn h SER 49 CO -0.16 0.87 0.02 0.00 -1.14 0.00 0.00 176.83 176.42 1phn h ALA 50 N 1.30 0.50 -0.40 3.77 0.00 -1.83 0.23 119.26 122.83 1phn h ALA 50 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1phn h ALA 50 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1phn h ALA 50 CO -0.06 0.25 0.26 0.82 0.00 0.00 0.00 179.25 180.52 1phn h ILE 51 N 0.47 1.11 0.00 0.00 2.04 -0.78 -1.02 117.51 119.35 1phn h ILE 51 Ca 0.11 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1phn h ILE 51 Cb 0.43 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1phn h ILE 51 CO 0.02 0.11 -0.00 0.58 0.00 0.00 0.00 178.15 178.86 1phn h VAL 52 N 0.54 1.35 -0.55 1.67 2.07 -1.16 -2.58 116.25 117.59 1phn h VAL 52 Ca 0.15 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1phn h VAL 52 Cb -0.04 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1phn h VAL 52 CO -0.03 0.27 0.36 0.74 0.02 0.00 0.00 177.57 178.92 1phn h THR 53 N -0.44 1.15 -0.26 2.57 2.02 -0.87 -0.64 112.91 116.44 1phn h THR 53 Ca -0.00 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 1phn h THR 53 Cb 0.44 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1phn h THR 53 CO 0.00 0.14 -0.37 0.78 0.37 0.00 0.00 175.52 176.44 1phn h ASN 54 N 0.74 0.62 -0.50 4.18 2.35 -1.24 -0.76 115.58 120.97 1phn h ASN 54 Ca 0.20 -0.26 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 1phn h ASN 54 Cb -0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1phn h ASN 54 CO -0.04 0.93 -0.09 0.00 -1.65 0.00 0.00 177.43 176.58 1phn h ALA 55 N 1.10 0.68 -0.11 -0.83 0.00 -1.19 -1.12 119.26 117.79 1phn h ALA 55 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1phn h ALA 55 Cb 0.87 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1phn h ALA 55 CO 0.07 0.57 0.06 0.00 0.00 0.00 0.00 179.25 179.95 1phn h ALA 56 N 0.90 0.14 -0.38 0.00 0.00 -0.87 -0.59 119.26 118.48 1phn h ALA 56 Ca 0.13 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1phn h ALA 56 Cb 0.64 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1phn h ALA 56 CO 0.04 -0.31 0.11 0.00 0.00 0.00 0.00 179.25 179.10 1phn h ARG 57 N 0.07 0.25 -0.77 0.00 3.08 -1.00 -1.18 114.38 114.84 1phn h ARG 57 Ca 0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1phn h ARG 57 Cb 0.09 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1phn h ARG 57 CO -0.01 0.17 0.39 0.00 -1.07 0.00 0.00 179.97 179.45 1phn h ALA 58 N 1.26 0.99 -0.18 0.04 0.00 -1.01 -1.99 119.26 118.37 1phn h ALA 58 Ca 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1phn h ALA 58 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1phn h ALA 58 CO -0.20 0.54 0.10 1.25 0.00 0.00 0.00 179.25 180.95 1phn h LEU 59 N 1.08 0.22 -1.47 0.00 5.85 -0.48 -2.34 115.31 118.17 1phn h LEU 59 Ca 0.27 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1phn h LEU 59 Cb 0.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1phn h LEU 59 CO -0.04 0.22 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.79 1phn h PHE 60 N 0.20 0.00 0.04 1.25 0.04 -1.07 0.58 116.94 117.98 1phn h PHE 60 Ca 0.06 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.59 1phn h PHE 60 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1phn h PHE 60 CO -0.05 0.23 -1.17 0.66 -0.60 0.00 0.00 178.31 177.39 1phn h SER 61 N 0.00 0.14 -0.04 2.17 4.64 -1.24 -3.10 113.55 116.13 1phn h SER 61 Ca -0.00 -0.16 -0.23 0.00 -0.47 0.00 0.00 61.79 60.93 1phn h SER 61 Cb 0.57 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1phn h SER 61 CO 0.03 1.13 -0.85 -0.08 -0.87 0.00 0.00 176.83 176.19 1phn h GLU 62 N 0.02 0.71 -2.60 4.77 4.81 -1.05 -3.35 114.58 117.89 1phn h GLU 62 Ca -0.09 -0.63 -0.61 0.00 -0.13 0.00 0.00 59.36 57.91 1phn h GLU 62 Cb 1.86 0.15 -0.42 0.00 0.63 0.00 0.00 28.75 30.97 1phn h GLU 62 CO 0.15 1.23 -0.61 1.04 -0.73 0.00 0.00 179.01 180.09 1phn n GLN 63 N -3.89 2.07 0.32 1.92 6.02 0.16 -4.95 117.38 119.03 1phn n GLN 63 Ca -0.08 -4.49 0.20 0.00 -0.01 0.00 0.00 57.00 52.62 1phn n GLN 63 Cb 0.78 -2.21 1.05 0.00 1.02 0.00 0.00 30.24 30.88 1phn n GLN 63 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1phn h PRO 64 N 4.77 0.00 0.00 -1.09 0.13 -1.69 -2.04 132.00 132.08 1phn h PRO 64 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1phn h PRO 64 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1phn h PRO 64 CO 0.75 0.01 -0.02 1.96 -0.23 0.00 0.00 178.00 180.48 1phn h GLN 65 N 0.00 0.00 -0.20 0.86 7.50 -1.92 -2.40 115.11 118.95 1phn h GLN 65 Ca -0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1phn h GLN 65 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 1phn h GLN 65 CO 0.00 0.02 0.02 -0.07 -1.50 0.00 0.00 178.83 177.30 1phn h LEU 66 N 0.00 0.25 -1.28 1.46 3.38 -1.72 -3.16 115.31 114.25 1phn h LEU 66 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1phn h LEU 66 Cb 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1phn h LEU 66 CO 0.00 0.29 -0.17 2.30 0.09 0.00 0.00 178.44 180.95 1phn n ILE 67 N -4.39 0.00 -1.73 1.22 -5.35 -0.91 -0.48 119.36 107.71 1phn n ILE 67 Ca -0.00 -0.42 -0.32 0.00 -0.27 0.00 0.00 62.75 61.75 1phn n ILE 67 Cb 0.17 1.27 0.04 0.00 -1.74 0.00 0.00 39.64 39.38 1phn n ILE 67 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1phn s GLN 68 N -1.67 3.07 0.17 6.28 -2.07 -1.16 -4.52 119.66 119.77 1phn s GLN 68 Ca 0.17 1.04 -0.33 0.00 -1.82 0.00 0.00 55.36 54.41 1phn s GLN 68 Cb 0.14 -2.01 -0.15 0.00 -1.09 0.00 0.00 33.01 29.90 1phn s GLN 68 CO 0.31 -1.00 1.36 -2.30 -1.32 0.00 0.00 175.29 172.34 1phn n PRO 69 N -2.75 1.63 -0.08 9.60 -0.02 -1.26 -0.02 135.00 142.10 1phn n PRO 69 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1phn n PRO 69 Cb 0.53 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1phn n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1phn n GLY 70 N 2.45 1.21 0.00 -1.23 0.00 -1.26 -5.09 105.19 101.26 1phn n GLY 70 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1phn n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1phn n GLY 71 N -2.00 0.72 0.00 -0.02 0.00 0.98 -4.99 105.19 99.88 1phn n GLY 71 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1phn n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1phn n ALA 75 N -3.00 0.00 -1.86 4.61 0.00 0.37 -4.85 120.51 115.78 1phn n ALA 75 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1phn n ALA 75 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1phn n ALA 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1phn s TYR 76 N 0.00 3.49 0.00 0.00 5.04 -1.20 -3.66 117.35 121.02 1phn s TYR 76 Ca 0.00 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1phn s TYR 76 Cb 0.00 -2.82 0.00 0.00 0.35 0.00 0.00 41.96 39.49 1phn s TYR 76 CO 0.00 0.07 0.00 0.25 -1.34 0.00 0.00 175.55 174.53 1phn n THR 77 N -0.04 -0.15 0.21 4.34 -2.24 -1.26 -4.33 114.28 110.81 1phn n THR 77 Ca 0.04 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.88 1phn n THR 77 Cb 0.52 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.22 1phn n THR 77 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1phn h ASN 78 N 0.00 0.00 -0.35 3.42 2.35 -1.99 -1.96 115.58 117.06 1phn h ASN 78 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1phn h ASN 78 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1phn h ASN 78 CO 0.00 0.28 0.10 -0.09 -1.65 0.00 0.00 177.43 176.08 1phn h ARG 79 N 0.00 0.55 -0.13 0.81 2.43 -1.95 -0.06 114.38 116.03 1phn h ARG 79 Ca -0.00 -0.12 -0.17 0.00 -0.81 0.00 0.00 59.98 58.87 1phn h ARG 79 Cb 0.57 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1phn h ARG 79 CO 0.04 0.58 -0.63 0.00 -1.51 0.00 0.00 179.97 178.44 1phn h ARG 80 N 0.41 0.48 -0.33 0.20 3.08 -1.73 -1.58 114.38 114.92 1phn h ARG 80 Ca 0.11 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1phn h ARG 80 Cb 0.27 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1phn h ARG 80 CO -0.00 0.96 0.11 1.98 -1.07 0.00 0.00 179.97 181.94 1phn h MET 81 N 0.35 0.51 -0.63 0.04 4.05 -1.25 0.49 114.93 118.49 1phn h MET 81 Ca -0.01 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 1phn h MET 81 Cb 1.19 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 1phn h MET 81 CO 0.11 0.54 0.25 0.00 0.23 0.00 0.00 176.91 178.05 1phn h ALA 82 N 0.94 1.25 -0.42 0.39 0.00 -0.92 -0.21 119.26 120.29 1phn h ALA 82 Ca 0.11 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1phn h ALA 82 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1phn h ALA 82 CO -0.00 0.55 -0.15 0.00 0.00 0.00 0.00 179.25 179.65 1phn h ALA 83 N 1.36 0.96 -0.23 0.00 0.00 -0.97 -0.70 119.26 119.67 1phn h ALA 83 Ca 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1phn h ALA 83 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1phn h ALA 83 CO -0.02 0.61 0.05 0.00 0.00 0.00 0.00 179.25 179.89 1phn h LEU 85 N 0.19 0.89 -0.81 0.00 3.38 -0.94 -2.42 115.31 115.59 1phn h LEU 85 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1phn h LEU 85 Cb 0.30 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1phn h LEU 85 CO 0.00 0.83 0.41 -0.09 0.09 0.00 0.00 178.44 179.69 1phn h ARG 86 N 0.93 1.16 -0.49 1.13 2.43 -0.89 -1.94 114.38 116.70 1phn h ARG 86 Ca 0.21 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1phn h ARG 86 Cb 0.26 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1phn h ARG 86 CO -0.01 0.88 0.28 -0.44 -1.51 0.00 0.00 179.97 179.17 1phn h ASP 87 N 1.15 0.44 -0.69 -3.80 5.19 -0.77 -0.19 116.42 117.75 1phn h ASP 87 Ca 0.28 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.64 1phn h ASP 87 Cb 0.09 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 1phn h ASP 87 CO -0.04 0.31 0.19 0.24 -3.12 0.00 0.00 179.24 176.82 1phn h MET 88 N 0.56 1.09 -0.68 3.56 2.86 -1.20 -1.70 114.93 119.41 1phn h MET 88 Ca 0.20 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1phn h MET 88 Cb 0.04 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1phn h MET 88 CO -0.10 0.95 0.20 1.49 1.06 0.00 0.00 176.91 180.51 1phn h GLU 89 N 1.02 1.07 -0.20 1.72 4.81 -1.06 -1.60 114.58 120.33 1phn h GLU 89 Ca 0.22 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1phn h GLU 89 Cb 0.34 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1phn h GLU 89 CO -0.00 0.93 0.13 0.82 -0.73 0.00 0.00 179.01 180.16 1phn h ILE 90 N 1.00 1.06 -0.39 2.32 2.04 -0.71 0.71 117.51 123.54 1phn h ILE 90 Ca 0.22 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1phn h ILE 90 Cb 0.32 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1phn h ILE 90 CO -0.00 0.06 0.22 0.40 0.00 0.00 0.00 178.15 178.83 1phn h ILE 91 N 0.27 1.14 -0.71 -0.67 2.04 -1.19 -0.03 117.51 118.36 1phn h ILE 91 Ca 0.07 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1phn h ILE 91 Cb -0.02 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1phn h ILE 91 CO -0.02 0.14 0.43 0.25 0.00 0.00 0.00 178.15 178.96 1phn h LEU 92 N 0.50 0.85 -0.04 1.44 5.85 -1.10 0.58 115.31 123.39 1phn h LEU 92 Ca 0.14 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1phn h LEU 92 Cb 0.03 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1phn h LEU 92 CO -0.02 0.66 0.01 -0.09 -0.34 0.00 0.00 178.44 178.66 1phn h ARG 93 N 0.97 0.03 -0.19 1.25 2.43 -0.48 -1.21 114.38 117.17 1phn h ARG 93 Ca 0.25 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1phn h ARG 93 Cb -0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1phn h ARG 93 CO -0.05 0.02 -0.15 1.88 -1.51 0.00 0.00 179.97 180.16 1phn h TYR 94 N 0.03 0.33 -0.62 2.20 -1.99 -0.68 -1.91 116.97 114.33 1phn h TYR 94 Ca 0.02 -0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.62 1phn h TYR 94 Cb 0.01 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1phn h TYR 94 CO -0.09 0.46 0.07 0.28 -0.00 0.00 0.00 178.16 178.88 1phn h VAL 95 N 0.29 1.26 -0.04 -2.88 2.07 -0.47 -1.90 116.25 114.59 1phn h VAL 95 Ca 0.06 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1phn h VAL 95 Cb 0.45 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1phn h VAL 95 CO 0.03 0.39 -0.32 0.77 0.02 0.00 0.00 177.57 178.46 1phn h SER 96 N 0.96 0.07 -0.43 0.57 4.64 -0.55 -1.66 113.55 117.15 1phn h SER 96 Ca 0.18 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 1phn h SER 96 Cb 0.47 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1phn h SER 96 CO 0.02 0.39 -0.25 1.88 -0.87 0.00 0.00 176.83 178.00 1phn h TYR 97 N 0.06 1.09 -0.45 4.77 0.05 -1.05 -2.25 116.97 119.19 1phn h TYR 97 Ca 0.01 -0.28 -0.05 0.00 0.05 0.00 0.00 58.73 58.46 1phn h TYR 97 Cb 0.60 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1phn h TYR 97 CO 0.00 1.09 0.09 0.00 -1.05 0.00 0.00 178.16 178.29 1phn h ALA 98 N 0.82 1.32 -0.04 3.88 0.00 -0.66 -1.38 119.26 123.20 1phn h ALA 98 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1phn h ALA 98 Cb 0.83 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1phn h ALA 98 CO 0.07 0.48 -0.00 0.82 0.00 0.00 0.00 179.25 180.62 1phn h ILE 99 N 0.66 1.25 -0.20 0.00 2.04 -1.03 0.11 117.51 120.34 1phn h ILE 99 Ca 0.15 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1phn h ILE 99 Cb 0.28 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1phn h ILE 99 CO 0.00 0.21 -0.16 -0.29 0.00 0.00 0.00 178.15 177.91 1phn h ILE 100 N -0.22 1.21 0.00 -0.67 2.10 -1.23 -2.71 117.51 115.99 1phn h ILE 100 Ca 0.01 -0.95 -0.15 0.00 1.08 0.00 0.00 64.86 64.85 1phn h ILE 100 Cb 0.33 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 37.28 1phn h ILE 100 CO 0.00 0.30 -0.73 0.00 -1.08 0.00 0.00 178.15 176.64 1phn h ALA 101 N 1.54 0.64 -0.46 0.18 0.00 -1.17 -3.47 119.26 116.51 1phn h ALA 101 Ca 0.06 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 1phn h ALA 101 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1phn h ALA 101 CO 0.03 0.92 -0.13 0.41 0.00 0.00 0.00 179.25 180.48 1phn n GLY 102 N 0.93 0.64 3.40 0.00 0.00 0.36 -1.25 105.19 109.27 1phn n GLY 102 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1phn n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1phn s ASP 103 N -2.87 -0.52 0.00 1.61 2.15 -1.12 -4.35 116.67 111.57 1phn s ASP 103 Ca 0.00 0.98 0.26 0.00 0.43 0.00 0.00 52.55 54.22 1phn s ASP 103 Cb 0.00 1.00 1.25 0.00 -0.30 0.00 0.00 42.92 44.87 1phn s ASP 103 CO 0.00 -0.19 1.88 -1.54 -0.17 0.00 0.00 175.17 175.15 1phn n SER 104 N 2.73 0.00 -0.31 -0.34 3.41 -1.26 -4.14 113.62 113.70 1phn n SER 104 Ca -0.14 0.14 0.21 0.00 -0.26 0.00 0.00 58.87 58.82 1phn n SER 104 Cb 0.57 -0.37 0.48 0.00 -0.26 0.00 0.00 64.21 64.62 1phn n SER 104 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1phn h SER 105 N 0.00 0.50 -0.64 4.04 4.64 -1.97 0.72 113.55 120.84 1phn h SER 105 Ca 0.00 0.08 0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1phn h SER 105 Cb 0.33 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 1phn h SER 105 CO 0.00 0.12 0.42 -0.29 -0.87 0.00 0.00 176.83 176.22 1phn h ILE 106 N 0.45 0.99 -0.07 0.95 -0.00 -1.82 -1.19 117.51 116.81 1phn h ILE 106 Ca 0.57 -0.21 -0.05 0.00 -0.00 0.00 0.00 64.86 65.18 1phn h ILE 106 Cb 1.36 0.33 0.00 0.00 -0.00 0.00 0.00 36.82 38.51 1phn h ILE 106 CO -0.30 0.11 -0.15 -0.07 -0.00 0.00 0.00 178.15 177.75 1phn h LEU 107 N 0.60 0.26 -0.22 2.19 3.38 -1.16 -3.36 115.31 117.00 1phn h LEU 107 Ca 0.28 -0.56 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1phn h LEU 107 Cb 0.32 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1phn h LEU 107 CO -0.09 0.77 -0.42 0.44 0.09 0.00 0.00 178.44 179.24 1phn h ASP 108 N -0.25 -1.34 0.00 -0.43 3.32 -0.96 0.49 116.42 117.26 1phn h ASP 108 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1phn h ASP 108 Cb 0.73 0.56 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1phn h ASP 108 CO 0.03 -0.41 0.00 -0.90 -1.72 0.00 0.00 179.24 176.25 1phn n ASP 109 N -5.43 0.00 0.06 6.45 5.75 -1.09 -0.99 116.55 121.31 1phn n ASP 109 Ca -0.03 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.33 1phn n ASP 109 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1phn n ASP 109 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1phn n ARG 110 N -0.88 0.00 0.05 0.11 3.00 -0.78 -4.63 116.66 113.53 1phn n ARG 110 Ca 0.06 0.00 0.18 0.00 -0.01 0.00 0.00 57.85 58.08 1phn n ARG 110 Cb 0.03 -0.35 0.69 0.00 0.00 0.00 0.00 32.46 32.83 1phn n ARG 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1phn n LEU 112 N -4.35 2.40 -2.74 0.00 4.77 -0.16 -3.59 117.00 113.34 1phn n LEU 112 Ca 0.07 -1.21 -0.28 0.00 -0.03 0.00 0.00 56.01 54.57 1phn n LEU 112 Cb 0.51 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1phn n LEU 112 CO 0.36 0.47 2.32 0.59 -1.33 0.00 0.00 177.39 179.80 1phn n ASN 113 N 0.48 7.04 -2.65 -1.43 5.03 0.17 -4.66 115.26 119.23 1phn n ASN 113 Ca 0.13 -2.73 -0.12 0.00 0.87 0.00 0.00 54.58 52.73 1phn n ASN 113 Cb 0.44 -1.43 -0.01 0.00 -1.02 0.00 0.00 39.78 37.77 1phn n ASN 113 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1phn n GLY 114 N 2.46 -0.50 0.29 7.41 0.00 -1.26 -4.82 105.19 108.77 1phn n GLY 114 Ca 0.59 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.69 1phn n GLY 114 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1phn h LEU 115 N -0.19 -0.33 -1.81 0.99 5.85 -1.83 0.84 115.31 118.84 1phn h LEU 115 Ca -0.26 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1phn h LEU 115 Cb 1.18 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1phn h LEU 115 CO 0.31 -0.19 -0.14 0.08 -0.34 0.00 0.00 178.44 178.16 1phn h ARG 116 N 0.11 0.00 0.19 1.25 0.11 -1.82 -0.93 114.38 113.29 1phn h ARG 116 Ca 0.44 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.24 1phn h ARG 116 Cb 0.80 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.91 1phn h ARG 116 CO -0.69 0.14 -1.23 0.93 0.10 0.00 0.00 179.97 179.22 1phn h GLU 117 N 0.00 0.50 0.11 0.08 3.07 0.18 -2.86 114.58 115.66 1phn h GLU 117 Ca -0.00 -0.79 0.00 0.00 -0.50 0.00 0.00 59.36 58.07 1phn h GLU 117 Cb 0.38 0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1phn h GLU 117 CO 0.02 1.37 -0.10 1.15 -1.40 0.00 0.00 179.01 180.05 1phn h THR 118 N 0.03 0.77 -0.28 1.13 2.02 -0.21 -1.99 112.91 114.39 1phn h THR 118 Ca -0.21 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.01 1phn h THR 118 Cb 1.95 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1phn h THR 118 CO 0.23 0.00 0.08 1.88 0.37 0.00 0.00 175.52 178.08 1phn h TYR 119 N -0.23 0.13 -0.70 3.16 0.05 -1.29 -1.60 116.97 116.50 1phn h TYR 119 Ca 0.00 0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.89 1phn h TYR 119 Cb 0.22 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.87 1phn h TYR 119 CO -0.11 0.05 0.34 1.96 -1.05 0.00 0.00 178.16 179.35 1phn h GLN 120 N 0.19 0.57 -0.19 4.88 4.20 -1.35 0.52 115.11 123.93 1phn h GLN 120 Ca 0.13 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1phn h GLN 120 Cb 0.11 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1phn h GLN 120 CO -0.15 0.38 -0.25 0.00 -0.67 0.00 0.00 178.83 178.14 1phn h ALA 121 N 1.42 1.23 0.00 3.87 0.00 -0.96 -2.79 119.26 122.04 1phn h ALA 121 Ca 0.34 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1phn h ALA 121 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1phn h ALA 121 CO -0.26 0.50 -0.59 -0.07 0.00 0.00 0.00 179.25 178.83 1phn h LEU 122 N 0.31 0.00 0.00 0.00 3.38 -0.25 -3.48 115.31 115.27 1phn h LEU 122 Ca 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1phn h LEU 122 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1phn h LEU 122 CO 0.04 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1phn n GLY 123 N 1.33 0.55 3.67 0.83 0.00 0.15 -5.02 105.19 106.70 1phn n GLY 123 Ca 0.03 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 1phn n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1phn s VAL 124 N -2.00 4.83 -0.75 1.61 1.01 0.35 -4.97 120.40 120.49 1phn s VAL 124 Ca 0.00 1.79 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 1phn s VAL 124 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1phn s VAL 124 CO 0.00 -0.01 2.01 -2.84 0.00 0.00 0.00 175.10 174.26 1phn s PRO 125 N 2.28 2.43 0.32 2.72 0.02 -1.26 -4.37 135.00 137.13 1phn s PRO 125 Ca 0.41 0.28 0.06 0.00 0.02 0.00 0.00 61.00 61.78 1phn s PRO 125 Cb -0.17 -4.74 0.74 0.00 0.02 0.00 0.00 34.50 30.35 1phn s PRO 125 CO 0.13 -3.26 1.81 0.78 -0.33 0.00 0.00 177.00 176.13 1phn h GLY 126 N 18.05 1.57 1.96 0.52 0.00 -1.93 -0.98 103.07 122.27 1phn h GLY 126 Ca -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1phn h GLY 126 CO 1.19 0.03 -0.11 0.00 0.00 0.00 0.00 176.54 177.64 1phn h ALA 127 N 1.61 1.76 -0.01 3.60 0.00 -1.88 -1.31 119.26 123.02 1phn h ALA 127 Ca 0.53 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 1phn h ALA 127 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1phn h ALA 127 CO -0.30 0.18 -0.93 0.77 0.00 0.00 0.00 179.25 178.97 1phn h SER 128 N 0.04 0.55 -0.50 0.00 0.02 -1.59 -2.71 113.55 109.37 1phn h SER 128 Ca 0.01 -0.44 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 1phn h SER 128 Cb 0.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1phn h SER 128 CO 0.01 1.23 0.21 0.58 -1.14 0.00 0.00 176.83 177.72 1phn h VAL 129 N 0.25 1.21 -0.94 2.27 2.07 -1.15 -1.91 116.25 118.05 1phn h VAL 129 Ca -0.08 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.86 1phn h VAL 129 Cb 1.56 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1phn h VAL 129 CO 0.16 0.25 0.61 0.00 0.02 0.00 0.00 177.57 178.61 1phn h ALA 130 N 1.05 1.48 -0.59 1.67 0.00 -1.19 0.04 119.26 121.72 1phn h ALA 130 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1phn h ALA 130 Cb 0.19 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1phn h ALA 130 CO -0.01 0.37 0.25 0.28 0.00 0.00 0.00 179.25 180.14 1phn h VAL 131 N 1.07 1.22 -0.46 0.00 2.07 -1.09 -1.34 116.25 117.73 1phn h VAL 131 Ca 0.41 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1phn h VAL 131 Cb 0.21 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1phn h VAL 131 CO -0.16 0.27 0.28 1.23 0.02 0.00 0.00 177.57 179.21 1phn h GLY 132 N 0.82 0.66 1.03 2.17 0.00 -0.46 -1.68 103.07 105.62 1phn h GLY 132 Ca 0.20 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1phn h GLY 132 CO -0.02 0.26 0.65 -2.22 0.00 0.00 0.00 176.54 175.22 1phn h ILE 133 N 0.61 1.25 -0.61 2.60 2.04 -0.83 -1.43 117.51 121.15 1phn h ILE 133 Ca 0.17 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1phn h ILE 133 Cb -0.01 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 35.84 1phn h ILE 133 CO -0.03 0.24 0.11 -0.33 0.00 0.00 0.00 178.15 178.14 1phn h GLU 134 N 1.34 0.97 -0.44 2.37 5.08 -0.81 1.00 114.58 124.09 1phn h GLU 134 Ca 0.36 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 1phn h GLU 134 Cb -0.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1phn h GLU 134 CO -0.08 0.89 -0.22 0.87 -1.00 0.00 0.00 179.01 179.47 1phn h LYS 135 N 0.92 0.89 -0.67 2.33 1.57 -0.91 -2.50 116.57 118.20 1phn h LYS 135 Ca 0.19 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 1phn h LYS 135 Cb 0.38 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1phn h LYS 135 CO 0.01 1.02 0.14 0.52 -0.57 0.00 0.00 179.45 180.57 1phn h MET 136 N 0.78 1.09 -0.09 3.15 2.86 -0.77 -2.82 114.93 119.12 1phn h MET 136 Ca 0.10 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1phn h MET 136 Cb 0.76 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1phn h MET 136 CO 0.06 0.97 -0.06 -0.22 1.06 0.00 0.00 176.91 178.72 1phn h LYS 137 N 1.03 -0.07 -0.61 1.72 3.64 -0.43 0.35 116.57 122.20 1phn h LYS 137 Ca 0.21 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1phn h LYS 137 Cb 0.39 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1phn h LYS 137 CO 0.01 -0.04 0.24 -0.44 -2.27 0.00 0.00 179.45 176.94 1phn h ASP 138 N -0.07 0.85 -0.26 4.20 3.32 -1.42 -1.73 116.42 121.32 1phn h ASP 138 Ca 0.06 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 56.78 1phn h ASP 138 Cb 0.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1phn h ASP 138 CO -0.14 0.79 -0.42 0.77 -1.72 0.00 0.00 179.24 178.53 1phn h SER 139 N 0.85 0.87 -0.47 6.45 4.64 -1.27 -2.34 113.55 122.28 1phn h SER 139 Ca 0.20 -0.41 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 1phn h SER 139 Cb 0.21 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1phn h SER 139 CO -0.02 1.17 0.10 0.00 -0.87 0.00 0.00 176.83 177.21 1phn h ALA 140 N 0.87 1.18 -0.21 5.18 0.00 -0.75 -1.74 119.26 123.79 1phn h ALA 140 Ca 0.05 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1phn h ALA 140 Cb 0.99 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1phn h ALA 140 CO 0.09 0.55 -0.63 0.82 0.00 0.00 0.00 179.25 180.08 1phn h ILE 141 N 0.79 1.30 -0.40 0.00 2.04 -1.26 -1.14 117.51 118.84 1phn h ILE 141 Ca 0.17 -1.86 -0.02 0.00 1.00 0.00 0.00 64.86 64.15 1phn h ILE 141 Cb 0.33 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1phn h ILE 141 CO 0.00 0.59 0.16 0.00 0.00 0.00 0.00 178.15 178.90 1phn h ALA 142 N 0.75 0.53 -0.21 1.87 0.00 -1.18 -0.27 119.26 120.75 1phn h ALA 142 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1phn h ALA 142 Cb 1.23 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1phn h ALA 142 CO 0.13 0.14 -0.02 0.82 0.00 0.00 0.00 179.25 180.32 1phn h ILE 143 N 0.51 1.27 -0.06 0.00 2.04 -1.32 -2.46 117.51 117.48 1phn h ILE 143 Ca 0.13 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1phn h ILE 143 Cb 0.20 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1phn h ILE 143 CO -0.01 0.29 -0.34 0.00 0.00 0.00 0.00 178.15 178.09 1phn h ALA 144 N 0.77 1.33 -0.66 1.87 0.00 -1.10 -2.99 119.26 118.48 1phn h ALA 144 Ca 0.06 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1phn h ALA 144 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1phn h ALA 144 CO 0.01 0.48 0.00 -1.71 0.00 0.00 0.00 179.25 178.03 1phn n ASN 145 N -4.11 3.71 -4.68 0.00 4.05 -0.12 -4.82 115.26 109.27 1phn n ASN 145 Ca -0.02 -2.06 -0.42 0.00 0.45 0.00 0.00 54.58 52.53 1phn n ASN 145 Cb 0.40 -0.46 -0.03 0.00 1.23 0.00 0.00 39.78 40.92 1phn n ASN 145 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1phn s ASP 146 N -0.98 6.48 0.54 1.20 2.15 -0.93 -4.90 116.67 120.23 1phn s ASP 146 Ca 0.45 2.65 0.30 0.00 0.43 0.00 0.00 52.55 56.38 1phn s ASP 146 Cb 0.24 -2.56 1.50 0.00 -0.30 0.00 0.00 42.92 41.81 1phn s ASP 146 CO 0.29 -0.98 2.07 -0.65 -0.17 0.00 0.00 175.17 175.73 1phn h PRO 147 N 8.95 0.00 -6.91 4.34 0.11 -1.92 -3.45 132.00 133.11 1phn h PRO 147 Ca -0.45 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 1phn h PRO 147 Cb 1.22 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.37 1phn h PRO 147 CO 0.94 0.10 0.52 -1.12 -0.21 0.00 0.00 178.00 178.23 1phn s SER 148 N -5.95 6.68 -1.41 -2.05 0.01 -1.26 -4.07 113.70 105.66 1phn s SER 148 Ca -0.02 2.38 -0.10 0.00 1.31 0.00 0.00 55.95 59.52 1phn s SER 148 Cb 0.12 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.76 1phn s SER 148 CO 0.56 -0.57 1.09 0.61 0.41 0.00 0.00 173.24 175.34 1phn n GLY 149 N 0.74 -0.51 3.46 3.44 0.00 -1.26 -5.00 105.19 106.06 1phn n GLY 149 Ca 0.03 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 1phn n GLY 149 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1phn s ILE 150 N -3.33 0.01 0.08 -0.61 2.07 -1.26 -5.12 121.20 113.04 1phn s ILE 150 Ca 0.55 -0.07 -0.31 0.00 -1.41 0.00 0.00 60.65 59.41 1phn s ILE 150 Cb -0.26 -0.98 -0.08 0.00 0.13 0.00 0.00 42.46 41.27 1phn s ILE 150 CO 0.77 -0.04 1.62 -0.89 -1.91 0.00 0.00 174.94 174.49 1phn s THR 151 N -2.13 3.04 0.25 4.00 2.01 -1.26 -4.94 115.64 116.61 1phn s THR 151 Ca -0.07 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1phn s THR 151 Cb -0.01 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.08 1phn s THR 151 CO 0.01 0.00 1.20 -0.89 -0.69 0.00 0.00 174.62 174.26 1phn s THR 152 N 2.44 3.32 -0.00 -0.82 2.01 -1.26 -4.98 115.64 116.35 1phn s THR 152 Ca 0.73 1.22 -0.09 0.00 0.31 0.00 0.00 61.69 63.85 1phn s THR 152 Cb -0.40 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1phn s THR 152 CO 0.32 0.24 0.41 0.61 -0.69 0.00 0.00 174.62 175.51 1phn n GLY 153 N 1.60 0.54 3.54 4.40 0.00 -1.26 -5.14 105.19 108.86 1phn n GLY 153 Ca 0.02 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 1phn n GLY 153 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1phn s ASP 154 N -1.90 5.51 -0.11 1.61 2.15 -1.26 -4.93 116.67 117.74 1phn s ASP 154 Ca 0.10 -0.07 0.14 0.00 0.43 0.00 0.00 52.55 53.15 1phn s ASP 154 Cb -0.00 -1.99 0.33 0.00 -0.30 0.00 0.00 42.92 40.96 1phn s ASP 154 CO -0.00 0.03 1.23 0.00 -0.17 0.00 0.00 175.17 176.25 1phn h SER 156 N 0.83 0.35 -0.97 0.00 4.64 -2.00 -0.64 113.55 115.76 1phn h SER 156 Ca 0.00 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 1phn h SER 156 Cb 1.04 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.10 1phn h SER 156 CO 0.07 0.19 0.64 0.00 -0.87 0.00 0.00 176.83 176.86 1phn h ALA 157 N 1.45 1.36 -0.23 5.18 0.00 -2.01 -2.38 119.26 122.62 1phn h ALA 157 Ca 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1phn h ALA 157 Cb 0.43 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1phn h ALA 157 CO -0.31 0.56 -0.05 -0.07 0.00 0.00 0.00 179.25 179.38 1phn h LEU 158 N 1.25 0.45 -1.03 0.00 3.38 -1.54 -2.60 115.31 115.22 1phn h LEU 158 Ca 0.38 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1phn h LEU 158 Cb -0.03 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 1phn h LEU 158 CO -0.11 0.71 0.65 0.24 0.09 0.00 0.00 178.44 180.01 1phn h MET 159 N 0.18 1.17 -0.62 1.13 2.86 -0.90 0.15 114.93 118.90 1phn h MET 159 Ca 0.06 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1phn h MET 159 Cb 0.51 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1phn h MET 159 CO 0.02 0.78 0.16 0.00 1.06 0.00 0.00 176.91 178.93 1phn h ALA 160 N 1.44 0.82 -0.38 6.32 0.00 -1.37 -0.45 119.26 125.64 1phn h ALA 160 Ca 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1phn h ALA 160 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1phn h ALA 160 CO -0.15 0.52 0.18 1.49 0.00 0.00 0.00 179.25 181.30 1phn h GLU 161 N 0.91 0.55 -0.34 0.00 4.81 -0.89 -0.89 114.58 118.73 1phn h GLU 161 Ca 0.20 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 1phn h GLU 161 Cb 0.35 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1phn h GLU 161 CO 0.00 0.50 0.12 0.28 -0.73 0.00 0.00 179.01 179.18 1phn h VAL 162 N 0.48 0.91 -0.80 0.32 2.07 -0.45 -2.37 116.25 116.41 1phn h VAL 162 Ca 0.13 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1phn h VAL 162 Cb 0.13 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1phn h VAL 162 CO -0.02 0.05 0.47 1.23 0.02 0.00 0.00 177.57 179.32 1phn h GLY 163 N 0.27 1.21 1.83 2.17 0.00 -0.60 -1.45 103.07 106.49 1phn h GLY 163 Ca 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1phn h GLY 163 CO -0.15 0.19 0.02 -0.91 0.00 0.00 0.00 176.54 175.69 1phn h THR 164 N 0.84 1.09 -0.29 4.70 1.35 -0.65 -1.29 112.91 118.67 1phn h THR 164 Ca 0.36 -0.34 -0.15 0.00 -0.55 0.00 0.00 66.41 65.73 1phn h THR 164 Cb 0.23 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1phn h THR 164 CO -0.20 0.12 -0.42 1.88 -0.25 0.00 0.00 175.52 176.65 1phn h TYR 165 N 0.22 0.97 -0.44 4.73 0.05 -1.04 -0.61 116.97 120.85 1phn h TYR 165 Ca 0.05 -0.33 -0.03 0.00 0.05 0.00 0.00 58.73 58.47 1phn h TYR 165 Cb 0.12 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1phn h TYR 165 CO 0.00 1.12 0.14 0.74 -1.05 0.00 0.00 178.16 179.11 1phn h PHE 166 N 0.55 0.70 -0.93 4.88 0.04 -1.15 -2.12 116.94 118.90 1phn h PHE 166 Ca 0.03 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.77 1phn h PHE 166 Cb 1.02 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.91 1phn h PHE 166 CO 0.08 0.63 0.61 -0.44 -0.60 0.00 0.00 178.31 178.59 1phn h ASP 167 N 0.57 1.00 -0.72 2.17 3.32 -1.14 -0.28 116.42 121.34 1phn h ASP 167 Ca 0.14 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1phn h ASP 167 Cb 0.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1phn h ASP 167 CO -0.00 0.68 0.22 -0.09 -1.72 0.00 0.00 179.24 178.33 1phn h ARG 168 N 1.16 1.13 -0.41 3.56 2.43 -0.83 -1.54 114.38 119.87 1phn h ARG 168 Ca 0.38 -0.24 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1phn h ARG 168 Cb 0.04 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1phn h ARG 168 CO -0.12 0.96 -0.14 0.00 -1.51 0.00 0.00 179.97 179.17 1phn h ALA 169 N 1.11 0.57 -0.20 2.80 0.00 -0.55 -2.57 119.26 120.42 1phn h ALA 169 Ca 0.23 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1phn h ALA 169 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1phn h ALA 169 CO -0.01 0.48 -0.14 0.00 0.00 0.00 0.00 179.25 179.58 1phn h ALA 170 N 0.83 1.41 -0.25 0.00 0.00 -0.92 -2.55 119.26 117.78 1phn h ALA 170 Ca 0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1phn h ALA 170 Cb 0.68 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1phn h ALA 170 CO 0.05 0.41 -0.40 1.15 0.00 0.00 0.00 179.25 180.46 1phn h THR 171 N 0.30 1.30 -0.07 0.00 2.02 -1.24 -3.32 112.91 111.91 1phn h THR 171 Ca 0.06 -1.60 -0.06 0.00 0.77 0.00 0.00 66.41 65.58 1phn h THR 171 Cb 0.43 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1phn h THR 171 CO 0.03 0.51 -0.24 0.00 0.37 0.00 0.00 175.52 176.18 1phn h ALA 172 N 0.66 1.46 0.00 6.16 0.00 -1.05 -3.14 119.26 123.34 1phn h ALA 172 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1phn h ALA 172 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1phn h ALA 172 CO 0.09 0.39 0.00 1.33 0.00 0.00 0.00 179.25 181.06 1phn n VAL 173 N -4.20 0.21 -0.06 0.00 0.24 -1.05 -3.65 118.33 109.82 1phn n VAL 173 Ca -0.01 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1phn n VAL 173 Cb 0.33 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 1phn n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69