#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nwh h GLU 51 N 0.00 0.30 -0.82 4.33 5.08 -2.06 -3.22 114.58 118.19 3nwh h GLU 51 Ca 0.00 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3nwh h GLU 51 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3nwh h GLU 51 CO 0.00 0.46 0.54 0.00 -1.00 0.00 0.00 179.01 179.00 3nwh h ALA 52 N 1.56 1.06 0.23 3.43 0.00 -2.04 -1.13 119.26 122.37 3nwh h ALA 52 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3nwh h ALA 52 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3nwh h ALA 52 CO 0.03 0.40 -0.16 0.00 0.00 0.00 0.00 179.25 179.52 3nwh h ARG 54 N -0.39 -0.24 -0.40 0.00 2.43 -1.56 1.04 114.38 115.28 3nwh h ARG 54 Ca -0.02 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3nwh h ARG 54 Cb 0.34 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3nwh h ARG 54 CO 0.00 -0.16 -0.04 -0.44 -1.51 0.00 0.00 179.97 177.83 3nwh h ASP 55 N -0.25 0.72 -0.70 -3.80 5.19 -1.12 0.22 116.42 116.68 3nwh h ASP 55 Ca 0.09 -0.33 0.01 0.00 -0.62 0.00 0.00 57.03 56.18 3nwh h ASP 55 Cb 0.37 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.65 3nwh h ASP 55 CO -0.24 0.88 0.46 1.23 -3.12 0.00 0.00 179.24 178.45 3nwh h GLY 56 N 0.55 0.99 1.09 2.75 0.00 -0.44 -0.28 103.07 107.73 3nwh h GLY 56 Ca 0.11 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3nwh h GLY 56 CO 0.03 0.34 -0.01 -2.00 0.00 0.00 0.00 176.54 174.89 3nwh h LEU 57 N 0.93 1.06 0.27 3.11 5.85 0.17 -1.55 115.31 125.16 3nwh h LEU 57 Ca 0.26 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3nwh h LEU 57 Cb -0.08 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.67 3nwh h LEU 57 CO -0.07 1.12 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.93 3nwh h ARG 58 N 0.98 -0.35 -0.96 1.25 2.43 -0.12 -1.85 114.38 115.76 3nwh h ARG 58 Ca 0.17 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.48 3nwh h ARG 58 Cb 0.58 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 3nwh h ARG 58 CO 0.03 -0.22 0.61 0.00 -1.51 0.00 0.00 179.97 178.89 3nwh h ALA 59 N 0.35 1.60 0.00 2.80 0.00 -0.82 -0.93 119.26 122.26 3nwh h ALA 59 Ca -0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3nwh h ALA 59 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3nwh h ALA 59 CO 0.06 0.18 0.00 0.28 0.00 0.00 0.00 179.25 179.77 3nwh n VAL 60 N -4.58 0.03 0.00 0.00 0.31 -0.60 -1.21 118.33 112.28 3nwh n VAL 60 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3nwh n VAL 60 Cb 0.35 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 3nwh n VAL 60 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3nwh n GLU 62 N 0.64 0.00 -0.08 5.55 4.07 -0.36 -2.16 120.64 128.30 3nwh n GLU 62 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 3nwh n GLU 62 Cb 0.03 0.00 0.40 0.00 -0.06 0.00 0.00 31.44 31.81 3nwh n GLU 62 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3nwh h ARG 64 N 0.63 -0.02 -0.78 0.00 2.43 -1.71 0.41 114.38 115.34 3nwh h ARG 64 Ca 0.22 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.46 3nwh h ARG 64 Cb 0.10 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 3nwh h ARG 64 CO -0.06 0.18 0.47 -0.91 -1.51 0.00 0.00 179.97 178.14 3nwh h ASN 65 N -0.21 0.71 -0.12 -3.80 2.35 -1.63 -1.41 115.58 111.47 3nwh h ASN 65 Ca -0.00 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3nwh h ASN 65 Cb 0.21 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3nwh h ASN 65 CO 0.00 0.45 -0.16 0.58 -1.65 0.00 0.00 177.43 176.66 3nwh h VAL 66 N 0.85 1.37 -0.42 2.81 2.07 -0.92 -2.87 116.25 119.14 3nwh h VAL 66 Ca 0.35 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3nwh h VAL 66 Cb 0.19 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3nwh h VAL 66 CO -0.18 0.39 0.27 0.74 0.02 0.00 0.00 177.57 178.81 3nwh h THR 67 N -0.09 1.11 -0.36 2.57 2.02 0.05 -0.88 112.91 117.33 3nwh h THR 67 Ca 0.01 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3nwh h THR 67 Cb 0.70 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3nwh h THR 67 CO 0.04 0.11 0.11 0.45 0.37 0.00 0.00 175.52 176.59 3nwh h HIS 68 N 0.56 0.51 -0.14 3.16 3.86 -1.05 -2.05 115.15 120.00 3nwh h HIS 68 Ca 0.15 -0.02 -0.21 0.00 -1.16 0.00 0.00 60.37 59.13 3nwh h HIS 68 Cb -0.06 -0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.26 3nwh h HIS 68 CO 0.00 0.43 -0.72 1.25 0.86 0.00 0.00 177.93 179.75 3nwh h LEU 69 N 0.51 0.88 -0.31 2.43 5.85 -1.02 -2.15 115.31 121.51 3nwh h LEU 69 Ca 0.12 -0.63 0.07 0.00 0.84 0.00 0.00 57.88 58.28 3nwh h LEU 69 Cb 0.16 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 3nwh h LEU 69 CO -0.01 1.37 -0.23 0.25 -0.34 0.00 0.00 178.44 179.49 3nwh h LEU 70 N 0.45 -0.74 -0.78 2.25 5.85 -1.09 -1.30 115.31 119.95 3nwh h LEU 70 Ca -0.05 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.94 3nwh h LEU 70 Cb 1.36 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 42.67 3nwh h LEU 70 CO 0.15 -0.26 0.38 1.56 -0.34 0.00 0.00 178.44 179.94 3nwh h GLN 71 N -0.20 0.58 -0.57 1.25 4.20 -1.16 0.96 115.11 120.18 3nwh h GLN 71 Ca 0.16 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3nwh h GLN 71 Cb 0.45 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3nwh h GLN 71 CO -0.42 0.38 -0.03 1.96 -0.67 0.00 0.00 178.83 180.05 3nwh h GLN 72 N 0.60 1.01 -0.12 1.46 4.20 -0.96 -2.07 115.11 119.22 3nwh h GLN 72 Ca 0.41 -0.33 -0.19 0.00 0.06 0.00 0.00 58.65 58.60 3nwh h GLN 72 Cb 0.52 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3nwh h GLN 72 CO -0.33 1.01 -0.70 0.93 -0.67 0.00 0.00 178.83 179.07 3nwh h GLU 73 N 0.91 0.52 -0.88 1.46 4.39 -0.43 -1.56 114.58 119.00 3nwh h GLU 73 Ca 0.16 -0.41 0.01 0.00 0.34 0.00 0.00 59.36 59.46 3nwh h GLU 73 Cb 0.58 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 3nwh h GLU 73 CO 0.03 1.03 0.58 -0.07 -1.16 0.00 0.00 179.01 179.43 3nwh h LEU 74 N 0.37 1.00 -0.69 1.33 3.38 -0.80 0.11 115.31 120.01 3nwh h LEU 74 Ca -0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3nwh h LEU 74 Cb 1.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 3nwh h LEU 74 CO 0.13 0.72 0.25 0.74 0.09 0.00 0.00 178.44 180.37 3nwh h THR 75 N 1.18 1.25 -0.29 0.22 2.02 -1.11 0.07 112.91 116.24 3nwh h THR 75 Ca 0.32 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 3nwh h THR 75 Cb -0.12 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3nwh h THR 75 CO -0.07 0.32 -0.10 -0.08 0.37 0.00 0.00 175.52 175.96 3nwh h GLU 76 N 1.00 0.48 -0.36 6.66 4.57 -0.60 -1.20 114.58 125.14 3nwh h GLU 76 Ca 0.23 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 3nwh h GLU 76 Cb 0.25 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3nwh h GLU 76 CO -0.01 0.59 -0.01 0.00 -1.18 0.00 0.00 179.01 178.39 3nwh h ALA 77 N 1.45 0.48 -0.90 2.92 0.00 -0.16 -2.37 119.26 120.70 3nwh h ALA 77 Ca 0.09 -0.26 0.18 0.00 0.00 0.00 0.00 54.91 54.92 3nwh h ALA 77 Cb 0.45 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3nwh h ALA 77 CO 0.02 0.26 0.46 0.37 0.00 0.00 0.00 179.25 180.37 3nwh h GLN 78 N 0.45 0.56 -0.31 0.00 4.15 -0.76 -1.50 115.11 117.70 3nwh h GLN 78 Ca 0.10 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3nwh h GLN 78 Cb 0.48 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3nwh h GLN 78 CO 0.02 0.37 0.16 -0.22 -1.93 0.00 0.00 178.83 177.23 3nwh h LYS 79 N 0.57 0.44 -0.44 1.69 3.64 -0.92 -2.65 116.57 118.91 3nwh h LYS 79 Ca 0.52 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.93 3nwh h LYS 79 Cb 0.85 -0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.49 3nwh h LYS 79 CO -0.42 0.39 -0.19 0.78 -2.27 0.00 0.00 179.45 177.74 3nwh h GLY 80 N 0.38 0.14 2.00 5.01 0.00 -0.78 -0.64 103.07 109.18 3nwh h GLY 80 Ca 0.11 0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.64 3nwh h GLY 80 CO -0.02 -0.20 -0.24 0.74 0.00 0.00 0.00 176.54 176.83 3nwh h PHE 81 N -0.10 0.00 0.17 5.60 0.04 -1.17 -0.30 116.94 121.19 3nwh h PHE 81 Ca 0.21 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.74 3nwh h PHE 81 Cb 0.43 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.61 3nwh h PHE 81 CO -0.45 0.24 -1.09 1.96 -0.60 0.00 0.00 178.31 178.36 3nwh h GLN 82 N 0.00 0.37 -0.62 1.51 4.20 -1.12 -2.51 115.11 116.95 3nwh h GLN 82 Ca -0.00 -0.63 0.04 0.00 0.06 0.00 0.00 58.65 58.12 3nwh h GLN 82 Cb 0.45 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 3nwh h GLN 82 CO 0.03 1.30 0.41 -0.44 -0.67 0.00 0.00 178.83 179.46 3nwh h ASP 83 N -0.20 0.60 -0.01 1.46 5.19 -0.59 -2.15 116.42 120.73 3nwh h ASP 83 Ca -0.20 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3nwh h ASP 83 Cb 1.82 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 41.19 3nwh h ASP 83 CO 0.18 0.41 -0.01 0.58 -3.12 0.00 0.00 179.24 177.28 3nwh h VAL 84 N 0.69 1.48 -1.08 -1.35 2.07 -1.07 -2.74 116.25 114.26 3nwh h VAL 84 Ca 0.25 -1.44 0.30 0.00 0.82 0.00 0.00 66.70 66.63 3nwh h VAL 84 Cb 0.13 2.45 -0.11 0.00 -1.52 0.00 0.00 31.29 32.24 3nwh h VAL 84 CO -0.07 0.38 0.68 -0.08 0.02 0.00 0.00 177.57 178.49 3nwh h GLU 85 N -0.58 0.34 -0.43 1.57 4.81 -1.38 0.11 114.58 119.02 3nwh h GLU 85 Ca -0.00 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3nwh h GLU 85 Cb 0.62 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3nwh h GLU 85 CO 0.00 0.23 -0.18 0.00 -0.73 0.00 0.00 179.01 178.33 3nwh h ALA 86 N 1.66 0.87 0.24 2.92 0.00 -1.12 -2.78 119.26 121.05 3nwh h ALA 86 Ca 0.66 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 54.89 3nwh h ALA 86 Cb 1.68 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 19.34 3nwh h ALA 86 CO -0.39 0.64 -1.43 1.96 0.00 0.00 0.00 179.25 180.03 3nwh h GLN 87 N 0.73 0.50 -0.75 0.00 4.20 -0.76 -2.31 115.11 116.72 3nwh h GLN 87 Ca 0.11 -0.86 0.22 0.00 0.06 0.00 0.00 58.65 58.18 3nwh h GLN 87 Cb 0.70 0.32 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 3nwh h GLN 87 CO 0.05 1.41 0.63 0.00 -0.67 0.00 0.00 178.83 180.26 3nwh h ALA 88 N 0.14 2.61 0.00 3.87 0.00 -0.89 0.44 119.26 125.44 3nwh h ALA 88 Ca -0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3nwh h ALA 88 Cb 2.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3nwh h ALA 88 CO 0.25 -1.02 -0.00 0.00 0.00 0.00 0.00 179.25 178.48 3nwh h ALA 89 N 1.44 -0.00 -0.74 0.00 0.00 -1.17 0.10 119.26 118.89 3nwh h ALA 89 Ca 0.36 -0.43 0.16 0.00 0.00 0.00 0.00 54.91 55.00 3nwh h ALA 89 Cb 1.62 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.28 3nwh h ALA 89 CO -0.00 -0.01 -0.01 1.15 0.00 0.00 0.00 179.25 180.38 3nwh h THR 90 N -0.99 0.35 0.01 0.00 2.02 -0.74 -1.28 112.91 112.28 3nwh h THR 90 Ca -0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3nwh h THR 90 Cb 0.86 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3nwh h THR 90 CO 0.00 0.02 -0.01 0.00 0.37 0.00 0.00 175.52 175.90 3nwh h ASN 92 N -0.52 -1.03 -0.98 0.00 4.21 -0.55 -2.10 115.58 114.62 3nwh h ASN 92 Ca -0.00 0.11 0.11 0.00 1.21 0.00 0.00 56.30 57.73 3nwh h ASN 92 Cb 0.50 0.38 -0.13 0.00 -1.12 0.00 0.00 38.32 37.95 3nwh h ASN 92 CO 0.00 -0.46 -0.53 -0.74 -1.29 0.00 0.00 177.43 174.42 3nwh h HIS 93 N -0.63 -1.64 0.11 1.19 -0.00 -1.24 -2.40 115.15 110.54 3nwh h HIS 93 Ca 0.01 0.12 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3nwh h HIS 93 Cb 0.63 0.85 -0.03 0.00 -0.00 0.00 0.00 27.41 28.86 3nwh h HIS 93 CO -0.29 -0.38 -0.33 1.15 -0.00 0.00 0.00 177.93 178.08 3nwh h THR 94 N -0.01 0.00 0.00 6.26 2.02 -0.65 0.54 112.91 121.07 3nwh h THR 94 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 3nwh h THR 94 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3nwh h THR 94 CO -0.94 0.00 0.00 0.52 0.37 0.00 0.00 175.52 175.47 3nwh n VAL 95 N -4.30 0.00 0.00 3.16 0.31 -0.88 -2.31 118.33 114.31 3nwh n VAL 95 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3nwh n VAL 95 Cb 0.26 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 3nwh n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nwh n ALA 97 N 0.00 0.00 0.89 3.52 0.00 0.18 -4.65 120.51 120.45 3nwh n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3nwh n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3nwh n ALA 97 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3nwh n LEU 98 N 0.00 2.16 0.00 0.00 4.77 -0.98 -0.95 117.00 122.00 3nwh n LEU 98 Ca 0.00 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3nwh n LEU 98 Cb 0.00 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3nwh n LEU 98 CO 0.00 0.38 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 3nwh n ALA 100 N 0.41 0.00 -0.04 -1.18 0.00 -1.26 0.32 120.51 118.75 3nwh n ALA 100 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3nwh n ALA 100 Cb 0.38 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.05 3nwh n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3nwh h SER 101 N 0.00 0.60 0.49 0.00 0.87 -1.43 -2.32 113.55 111.76 3nwh h SER 101 Ca 0.00 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 3nwh h SER 101 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 3nwh h SER 101 CO 0.00 0.70 -0.24 0.25 -0.53 0.00 0.00 176.83 177.02 3nwh h LEU 102 N 0.59 -0.56 -1.48 2.23 5.85 -0.41 -2.81 115.31 118.72 3nwh h LEU 102 Ca 0.12 0.02 0.39 0.00 0.84 0.00 0.00 57.88 59.25 3nwh h LEU 102 Cb 0.44 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.51 3nwh h LEU 102 CO 0.02 -0.23 0.84 0.44 -0.34 0.00 0.00 178.44 179.17 3nwh h ASP 103 N -0.99 0.26 1.22 1.25 5.19 -1.79 0.50 116.42 122.05 3nwh h ASP 103 Ca -0.07 0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.31 3nwh h ASP 103 Cb 0.50 0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 3nwh h ASP 103 CO 0.11 -0.09 -0.63 0.00 -3.12 0.00 0.00 179.24 175.51 3nwh h ALA 104 N 1.55 0.65 -0.20 3.45 0.00 -1.46 -2.90 119.26 120.34 3nwh h ALA 104 Ca 0.75 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3nwh h ALA 104 Cb 2.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 3nwh h ALA 104 CO -0.33 0.78 -0.44 1.49 0.00 0.00 0.00 179.25 180.76 3nwh h GLU 105 N 0.00 0.50 -0.30 0.00 4.57 0.25 -2.32 114.58 117.27 3nwh h GLU 105 Ca -0.01 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.81 3nwh h GLU 105 Cb 1.40 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 3nwh h GLU 105 CO 0.08 0.85 -0.20 0.87 -1.18 0.00 0.00 179.01 179.42 3nwh h LYS 106 N 0.41 0.57 0.00 1.92 1.57 -1.29 0.80 116.57 120.55 3nwh h LYS 106 Ca 0.03 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3nwh h LYS 106 Cb 0.93 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3nwh h LYS 106 CO 0.08 0.74 -0.29 0.00 -0.57 0.00 0.00 179.45 179.41 3nwh h ALA 107 N 1.27 0.92 0.07 3.86 0.00 -1.31 0.32 119.26 124.39 3nwh h ALA 107 Ca 0.08 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 3nwh h ALA 107 Cb 0.64 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3nwh h ALA 107 CO 0.05 0.36 -1.34 1.96 0.00 0.00 0.00 179.25 180.27 3nwh h GLN 108 N 0.00 0.14 0.04 0.00 4.20 -1.24 -3.33 115.11 114.92 3nwh h GLN 108 Ca -0.00 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 3nwh h GLN 108 Cb 0.95 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.82 3nwh h GLN 108 CO 0.04 1.01 -0.02 0.78 -0.67 0.00 0.00 178.83 179.97 3nwh h GLY 109 N 2.33 -0.05 1.54 3.46 0.00 -0.18 -2.08 103.07 108.10 3nwh h GLY 109 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3nwh h GLY 109 CO 0.15 -0.02 -0.08 -1.06 0.00 0.00 0.00 176.54 175.53 3nwh n GLN 110 N -4.73 0.27 -0.05 4.80 6.02 0.11 -1.85 117.38 121.95 3nwh n GLN 110 Ca -0.08 -0.05 -0.14 0.00 -0.01 0.00 0.00 57.00 56.72 3nwh n GLN 110 Cb 0.33 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 29.95 3nwh n GLN 110 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3nwh n LYS 111 N -1.32 0.68 0.12 -1.09 4.81 -1.25 -3.92 118.16 116.19 3nwh n LYS 111 Ca 0.11 0.20 -0.12 0.00 -0.87 0.00 0.00 58.31 57.63 3nwh n LYS 111 Cb 0.30 -1.67 -0.08 0.00 0.02 0.00 0.00 35.03 33.60 3nwh n LYS 111 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3nwh h LYS 112 N 0.02 -0.33 -0.55 1.64 1.63 -1.21 -2.62 116.57 115.14 3nwh h LYS 112 Ca -0.43 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.50 3nwh h LYS 112 Cb 2.05 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 33.64 3nwh h LYS 112 CO 0.05 0.02 -0.28 0.28 -3.45 0.00 0.00 179.45 176.07 3nwh h VAL 113 N -0.82 0.24 -0.01 2.00 2.07 -1.59 -1.15 116.25 117.00 3nwh h VAL 113 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3nwh h VAL 113 Cb 0.51 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3nwh h VAL 113 CO 0.06 0.00 -0.08 1.21 0.02 0.00 0.00 177.57 178.78 3nwh n GLU 114 N -5.43 1.25 0.02 1.57 2.13 -1.25 -0.33 120.64 118.61 3nwh n GLU 114 Ca 0.04 -0.65 -0.07 0.00 0.66 0.00 0.00 57.16 57.15 3nwh n GLU 114 Cb 0.34 -1.49 -0.12 0.00 0.27 0.00 0.00 31.44 30.45 3nwh n GLU 114 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3nwh h GLU 115 N 1.59 0.00 0.00 5.31 4.81 -0.94 -3.23 114.58 122.12 3nwh h GLU 115 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3nwh h GLU 115 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3nwh h GLU 115 CO 0.00 0.65 -0.84 1.28 -0.73 0.00 0.00 179.01 179.36 3nwh n LEU 116 N -3.14 0.66 0.00 1.64 4.32 -0.52 -3.59 117.00 116.38 3nwh n LEU 116 Ca -0.10 -0.12 -0.04 0.00 -0.02 0.00 0.00 56.01 55.74 3nwh n LEU 116 Cb 0.98 -0.13 -0.11 0.00 -1.62 0.00 0.00 43.42 42.54 3nwh n LEU 116 CO 0.45 0.12 -0.43 -0.62 -1.22 0.00 0.00 177.39 175.69 3nwh n GLU 117 N -1.70 0.63 0.00 3.23 1.02 0.56 -2.24 120.64 122.13 3nwh n GLU 117 Ca 0.04 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 3nwh n GLU 117 Cb 0.38 -1.79 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 3nwh n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3nwh n GLY 118 N 1.47 -0.98 0.06 0.62 0.00 -1.22 -2.37 105.19 102.78 3nwh n GLY 118 Ca -0.13 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 3nwh n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3nwh n GLU 119 N -0.51 1.41 0.00 1.61 1.02 -1.19 -4.26 120.64 118.72 3nwh n GLU 119 Ca 0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3nwh n GLU 119 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3nwh n GLU 119 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3nwh n ILE 120 N -2.62 0.00 -0.04 -3.67 2.08 -0.95 -2.26 119.36 111.90 3nwh n ILE 120 Ca -0.21 1.26 0.18 0.00 0.56 0.00 0.00 62.75 64.54 3nwh n ILE 120 Cb 0.81 -2.13 0.62 0.00 -0.75 0.00 0.00 39.64 38.19 3nwh n ILE 120 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 3nwh h THR 121 N 0.00 0.78 0.00 1.39 1.35 -1.75 0.57 112.91 115.25 3nwh h THR 121 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3nwh h THR 121 Cb 0.00 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 3nwh h THR 121 CO 0.00 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.30 3nwh h THR 122 N 0.14 0.00 0.12 6.82 1.03 -1.73 -0.07 112.91 119.22 3nwh h THR 122 Ca 0.27 -0.45 -0.37 0.00 -0.01 0.00 0.00 66.41 65.85 3nwh h THR 122 Cb 0.88 1.35 -0.02 0.00 -1.07 0.00 0.00 68.15 69.29 3nwh h THR 122 CO -0.04 0.00 -2.00 0.18 -0.01 0.00 0.00 175.52 173.65 3nwh n LEU 123 N -2.57 2.63 -0.03 0.00 4.77 0.18 -4.06 117.00 117.93 3nwh n LEU 123 Ca 0.03 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 3nwh n LEU 123 Cb 0.33 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.29 3nwh n LEU 123 CO 0.26 0.85 0.70 0.78 -1.33 0.00 0.00 177.39 178.65 3nwh h ASN 124 N 0.07 -0.77 -0.79 -1.43 2.35 -0.56 0.95 115.58 115.40 3nwh h ASN 124 Ca -0.42 0.13 0.15 0.00 -0.55 0.00 0.00 56.30 55.61 3nwh h ASN 124 Cb 2.03 0.36 -0.10 0.00 0.05 0.00 0.00 38.32 40.66 3nwh h ASN 124 CO 0.09 -0.28 0.33 0.45 -1.65 0.00 0.00 177.43 176.37 3nwh h HIS 125 N -0.27 0.57 -0.83 1.19 3.86 -1.24 0.64 115.15 119.07 3nwh h HIS 125 Ca 0.13 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3nwh h HIS 125 Cb 0.46 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.76 3nwh h HIS 125 CO -0.38 0.07 0.51 0.87 0.86 0.00 0.00 177.93 179.86 3nwh h LYS 126 N 0.47 1.13 0.73 2.45 1.57 -1.44 -2.13 116.57 119.34 3nwh h LYS 126 Ca 0.44 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 59.08 3nwh h LYS 126 Cb 0.68 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.76 3nwh h LYS 126 CO -0.41 0.79 -0.35 1.25 -0.57 0.00 0.00 179.45 180.16 3nwh h LEU 127 N 1.14 -0.83 -1.08 2.94 5.85 0.51 -1.12 115.31 122.72 3nwh h LEU 127 Ca 0.30 0.03 0.36 0.00 0.84 0.00 0.00 57.88 59.41 3nwh h LEU 127 Cb -0.05 0.21 -0.15 0.00 0.37 0.00 0.00 40.66 41.04 3nwh h LEU 127 CO -0.06 -0.57 0.61 1.56 -0.34 0.00 0.00 178.44 179.65 3nwh h GLN 128 N -1.02 0.20 0.10 1.25 4.20 -0.86 0.73 115.11 119.71 3nwh h GLN 128 Ca -0.10 -0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.35 3nwh h GLN 128 Cb 0.75 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 3nwh h GLN 128 CO 0.16 0.13 -1.24 -0.44 -0.67 0.00 0.00 178.83 176.78 3nwh h ASP 129 N 0.21 0.35 0.45 1.46 5.19 -1.25 -2.43 116.42 120.39 3nwh h ASP 129 Ca 0.77 -0.85 -0.05 0.00 -0.62 0.00 0.00 57.03 56.28 3nwh h ASP 129 Cb 1.96 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 41.35 3nwh h ASP 129 CO -0.61 1.54 -0.26 0.00 -3.12 0.00 0.00 179.24 176.79 3nwh h ALA 130 N -0.06 1.30 -0.01 3.45 0.00 -0.76 -1.98 119.26 121.21 3nwh h ALA 130 Ca -0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3nwh h ALA 130 Cb 1.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3nwh h ALA 130 CO 0.05 0.32 -0.10 -1.13 0.00 0.00 0.00 179.25 178.40 3nwh n SER 131 N -3.84 1.56 0.09 0.00 3.41 0.21 -2.50 113.62 112.55 3nwh n SER 131 Ca -0.02 -1.38 -0.13 0.00 -0.26 0.00 0.00 58.87 57.08 3nwh n SER 131 Cb 0.35 0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 64.23 3nwh n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3nwh h ALA 132 N 4.18 0.19 0.00 7.33 0.00 -0.86 -3.06 119.26 127.04 3nwh h ALA 132 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 3nwh h ALA 132 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3nwh h ALA 132 CO 0.00 1.07 -0.41 1.49 0.00 0.00 0.00 179.25 181.40 3nwh h GLU 133 N 0.05 0.00 -0.12 0.00 4.57 -1.20 -1.35 114.58 116.53 3nwh h GLU 133 Ca -0.10 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 3nwh h GLU 133 Cb 1.92 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.50 3nwh h GLU 133 CO 0.18 0.41 -0.04 0.28 -1.18 0.00 0.00 179.01 178.66 3nwh h VAL 134 N 0.00 1.30 -0.68 0.32 2.07 -1.47 -1.93 116.25 115.86 3nwh h VAL 134 Ca -0.00 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3nwh h VAL 134 Cb 0.74 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 3nwh h VAL 134 CO 0.05 0.29 0.45 -0.33 0.02 0.00 0.00 177.57 178.05 3nwh h GLU 135 N -0.09 0.83 0.81 1.57 4.39 -1.42 0.01 114.58 120.68 3nwh h GLU 135 Ca 0.03 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 3nwh h GLU 135 Cb 0.46 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3nwh h GLU 135 CO 0.01 0.55 -0.42 0.00 -1.16 0.00 0.00 179.01 177.99 3nwh h ARG 136 N 0.86 -1.09 -0.46 2.33 3.08 -1.13 -2.90 114.38 115.07 3nwh h ARG 136 Ca 0.26 0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 3nwh h ARG 136 Cb -0.01 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3nwh h ARG 136 CO -0.07 -0.73 0.23 -0.07 -1.07 0.00 0.00 179.97 178.26 3nwh h LEU 137 N -1.13 0.56 0.81 3.04 3.38 -1.19 -1.44 115.31 119.35 3nwh h LEU 137 Ca -0.11 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3nwh h LEU 137 Cb 0.88 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.50 3nwh h LEU 137 CO 0.16 0.48 -0.39 -0.09 0.09 0.00 0.00 178.44 178.69 3nwh h ARG 138 N 0.64 -1.05 -0.86 1.13 2.43 -1.02 0.29 114.38 115.95 3nwh h ARG 138 Ca 0.16 0.07 0.20 0.00 -0.81 0.00 0.00 59.98 59.60 3nwh h ARG 138 Cb 0.06 0.24 -0.12 0.00 -0.42 0.00 0.00 29.97 29.73 3nwh h ARG 138 CO -0.02 -0.69 0.35 0.00 -1.51 0.00 0.00 179.97 178.09 3nwh h ARG 139 N -1.26 0.39 0.00 0.20 3.08 -1.36 -0.74 114.38 114.70 3nwh h ARG 139 Ca -0.11 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 3nwh h ARG 139 Cb 0.84 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3nwh h ARG 139 CO 0.18 0.26 -0.51 1.49 -1.07 0.00 0.00 179.97 180.32 3nwh h GLU 140 N 0.40 0.00 -0.25 0.04 4.81 -1.13 -1.03 114.58 117.42 3nwh h GLU 140 Ca 0.51 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.69 3nwh h GLU 140 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3nwh h GLU 140 CO -0.50 0.51 -0.05 -0.97 -0.73 0.00 0.00 179.01 177.26 3nwh h ASN 141 N 0.00 0.49 -0.03 1.04 -0.73 0.92 -2.68 115.58 114.59 3nwh h ASN 141 Ca -0.01 -0.36 -0.06 0.00 1.87 0.00 0.00 56.30 57.75 3nwh h ASN 141 Cb 1.04 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.48 3nwh h ASN 141 CO 0.07 0.73 -0.13 1.56 -0.37 0.00 0.00 177.43 179.28 3nwh h GLN 142 N 0.23 0.33 0.69 6.67 1.08 -0.91 0.15 115.11 123.35 3nwh h GLN 142 Ca 0.06 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3nwh h GLN 142 Cb 0.52 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.91 3nwh h GLN 142 CO 0.02 0.47 -0.33 0.28 -0.95 0.00 0.00 178.83 178.33 3nwh h VAL 143 N 0.31 0.00 -0.99 -0.54 2.07 -1.21 -2.86 116.25 113.02 3nwh h VAL 143 Ca 0.06 -0.01 0.17 0.00 0.82 0.00 0.00 66.70 67.74 3nwh h VAL 143 Cb 0.43 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.10 3nwh h VAL 143 CO 0.03 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.15 3nwh h LEU 144 N -0.93 0.81 -1.98 2.57 3.38 -1.27 -0.24 115.31 117.66 3nwh h LEU 144 Ca -0.09 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3nwh h LEU 144 Cb 0.71 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3nwh h LEU 144 CO 0.15 0.33 0.05 0.28 0.09 0.00 0.00 178.44 179.34 3nwh h SER 145 N 0.82 0.03 0.44 -0.43 0.02 -0.66 -2.16 113.55 111.61 3nwh h SER 145 Ca 0.55 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.20 3nwh h SER 145 Cb 0.77 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 3nwh h SER 145 CO -0.35 0.02 -1.73 1.62 -1.14 0.00 0.00 176.83 175.25 3nwh h VAL 146 N 0.03 0.84 0.00 2.27 3.04 -0.83 -2.61 116.25 119.00 3nwh h VAL 146 Ca 0.03 -2.66 -0.02 0.00 -1.01 0.00 0.00 66.70 63.04 3nwh h VAL 146 Cb 0.08 2.46 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 3nwh h VAL 146 CO -0.00 0.58 -0.08 0.03 -1.01 0.00 0.00 177.57 177.08 3nwh h ARG 147 N 0.01 0.00 0.50 4.17 3.08 -1.17 -1.60 114.38 119.37 3nwh h ARG 147 Ca -0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3nwh h ARG 147 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 3nwh h ARG 147 CO 0.09 0.08 -0.24 0.82 -1.07 0.00 0.00 179.97 179.65 3nwh h ILE 148 N 0.00 0.12 -0.02 2.04 1.08 -1.32 -3.31 117.51 116.11 3nwh h ILE 148 Ca -0.00 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3nwh h ILE 148 Cb 0.16 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.10 3nwh h ILE 148 CO 0.01 0.02 0.02 0.00 -0.69 0.00 0.00 178.15 177.52 3nwh h ALA 149 N -1.05 1.48 0.00 1.87 0.00 -1.39 -3.52 119.26 116.65 3nwh h ALA 149 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3nwh h ALA 149 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3nwh h ALA 149 CO 0.11 -0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.08