#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn5 s ALA 60 N 0.00 0.87 0.19 3.17 0.00 -1.26 -4.57 121.76 120.16 1pn5 s ALA 60 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1pn5 s ALA 60 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1pn5 s ALA 60 CO 0.00 -3.31 0.09 0.41 0.00 0.00 0.00 175.76 172.95 1pn5 n GLY 61 N -1.31 3.64 0.24 0.00 0.00 -1.26 -4.59 105.19 101.90 1pn5 n GLY 61 Ca 0.12 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 44.19 1pn5 n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pn5 h GLY 62 N 0.84 0.80 -5.00 -0.02 0.00 -1.99 -3.39 103.07 94.31 1pn5 h GLY 62 Ca -0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1pn5 h GLY 62 CO 0.23 -0.14 -0.11 0.00 0.00 0.00 0.00 176.54 176.52 1pn5 n ALA 63 N -2.63 -2.76 0.07 3.60 0.00 -1.26 -5.06 120.51 112.47 1pn5 n ALA 63 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1pn5 n ALA 63 Cb 0.35 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1pn5 n ALA 63 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1pn5 n TRP 64 N 1.01 -2.24 0.00 0.00 4.27 -1.26 -4.87 117.44 114.34 1pn5 n TRP 64 Ca 0.00 0.42 0.00 0.00 -3.89 0.00 0.00 57.50 54.03 1pn5 n TRP 64 Cb 0.71 1.24 0.00 0.00 -1.36 0.00 0.00 31.31 31.91 1pn5 n TRP 64 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pn5 n GLY 65 N -0.08 2.10 0.38 -1.67 0.00 -1.26 -1.32 105.19 103.33 1pn5 n GLY 65 Ca 0.00 0.44 0.14 0.00 0.00 0.00 0.00 46.02 46.61 1pn5 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pn5 h ARG 66 N 0.00 0.00 -0.47 1.61 2.47 -1.96 -2.72 114.38 113.31 1pn5 h ARG 66 Ca 0.00 0.00 0.10 0.00 -1.26 0.00 0.00 59.98 58.82 1pn5 h ARG 66 Cb 0.00 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.22 1pn5 h ARG 66 CO 0.00 0.00 -0.18 1.25 0.56 0.00 0.00 179.97 181.60 1pn5 h LEU 67 N 0.00 -0.63 -0.14 3.04 6.46 -1.60 -0.22 115.31 122.23 1pn5 h LEU 67 Ca 0.12 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1pn5 h LEU 67 Cb 1.44 0.36 0.00 0.00 -0.73 0.00 0.00 40.66 41.73 1pn5 h LEU 67 CO -0.00 -0.21 0.00 0.00 -0.62 0.00 0.00 178.44 177.61 1pn5 n ALA 68 N -2.91 1.83 -0.04 1.25 0.00 -1.02 -2.16 120.51 117.46 1pn5 n ALA 68 Ca 0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 1pn5 n ALA 68 Cb 0.29 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 1pn5 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn5 h TYR 70 N 0.29 0.46 0.00 0.00 -1.99 -1.25 -1.44 116.97 113.05 1pn5 h TYR 70 Ca -0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1pn5 h TYR 70 Cb 1.18 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.77 1pn5 h TYR 70 CO 0.10 0.23 0.00 1.28 -0.00 0.00 0.00 178.16 179.77 1pn5 n LEU 71 N -4.88 0.62 -0.04 3.88 4.77 -1.04 -2.29 117.00 118.01 1pn5 n LEU 71 Ca 0.03 -0.31 0.02 0.00 -0.03 0.00 0.00 56.01 55.72 1pn5 n LEU 71 Cb 0.11 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 1pn5 n LEU 71 CO 0.30 0.16 -0.86 -0.62 -1.33 0.00 0.00 177.39 175.03 1pn5 n GLU 72 N -0.11 0.80 -0.01 3.23 -0.58 -0.54 -3.89 120.64 119.55 1pn5 n GLU 72 Ca 0.00 -0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.51 1pn5 n GLU 72 Cb 0.16 -1.45 -0.09 0.00 -0.57 0.00 0.00 31.44 29.49 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1pn5 h PHE 73 N 0.00 0.05 -3.00 -0.32 3.57 -1.49 -3.44 116.94 112.31 1pn5 h PHE 73 Ca -0.19 -0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.73 1pn5 h PHE 73 Cb 1.36 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.06 1pn5 h PHE 73 CO 0.00 0.38 -0.35 -0.48 -2.23 0.00 0.00 178.31 175.63 1pn5 s LEU 74 N -9.48 4.27 0.00 0.59 2.34 -1.26 -5.11 118.68 110.03 1pn5 s LEU 74 Ca -0.15 0.46 0.00 0.00 0.06 0.00 0.00 54.13 54.50 1pn5 s LEU 74 Cb 0.03 -3.20 0.00 0.00 -0.56 0.00 0.00 46.19 42.47 1pn5 s LEU 74 CO 0.68 0.04 0.00 0.29 -1.06 0.00 0.00 176.35 176.30 1pn5 n LYS 75 N -0.15 1.48 0.05 1.48 5.02 -1.26 -4.82 118.16 119.96 1pn5 n LYS 75 Ca -0.04 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.46 1pn5 n LYS 75 Cb 0.52 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 36.27 1pn5 n LYS 75 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1pn5 h LYS 76 N 0.00 0.00 -1.19 1.97 6.56 -1.95 0.17 116.57 122.13 1pn5 h LYS 76 Ca 0.00 0.00 0.35 0.00 -1.06 0.00 0.00 60.65 59.94 1pn5 h LYS 76 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 31.56 1pn5 h LYS 76 CO 0.00 0.00 0.79 0.93 -2.06 0.00 0.00 179.45 179.11 1pn5 h GLU 77 N 0.00 0.20 0.00 3.15 5.08 -2.01 -3.07 114.58 117.93 1pn5 h GLU 77 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1pn5 h GLU 77 Cb 1.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1pn5 h GLU 77 CO -0.00 0.13 0.00 -0.85 -1.00 0.00 0.00 179.01 177.29 1pn5 n GLU 78 N -4.55 0.00 -0.20 2.33 0.00 -0.92 -4.75 120.64 112.54 1pn5 n GLU 78 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.45 1pn5 n GLU 78 Cb 1.17 -0.04 0.22 0.00 0.00 0.00 0.00 31.44 32.79 1pn5 n GLU 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1pn5 h LEU 79 N 0.00 0.86 0.26 -1.84 5.85 -0.72 0.24 115.31 119.95 1pn5 h LEU 79 Ca 0.00 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1pn5 h LEU 79 Cb 0.05 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1pn5 h LEU 79 CO 0.00 0.69 -0.12 0.50 -0.34 0.00 0.00 178.44 179.16 1pn5 h LYS 80 N 0.98 -0.33 -0.82 1.25 1.63 -1.73 -2.28 116.57 115.27 1pn5 h LYS 80 Ca 0.25 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.13 1pn5 h LYS 80 Cb 0.01 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.66 1pn5 h LYS 80 CO -0.04 -0.14 0.54 0.93 -3.45 0.00 0.00 179.45 177.28 1pn5 h GLU 81 N -0.45 0.89 0.63 1.90 3.07 -1.61 -1.52 114.58 117.48 1pn5 h GLU 81 Ca -0.04 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1pn5 h GLU 81 Cb 0.34 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1pn5 h GLU 81 CO 0.06 0.59 -0.46 0.35 -1.40 0.00 0.00 179.01 178.14 1pn5 h PHE 82 N 0.92 -1.26 0.00 4.33 3.04 -0.47 0.17 116.94 123.67 1pn5 h PHE 82 Ca 0.35 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1pn5 h PHE 82 Cb 0.20 0.47 -0.00 0.00 2.56 0.00 0.00 35.95 39.18 1pn5 h PHE 82 CO -0.00 -0.67 -0.06 -0.56 -2.02 0.00 0.00 178.31 175.01 1pn5 h GLN 83 N -1.05 0.00 0.13 1.11 3.07 -1.01 -2.21 115.11 115.14 1pn5 h GLN 83 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1pn5 h GLN 83 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 1pn5 h GLN 83 CO 0.03 0.06 -0.06 1.25 0.09 0.00 0.00 178.83 180.19 1pn5 h LEU 84 N 0.00 -0.14 -0.78 0.06 6.46 -0.82 -3.27 115.31 116.82 1pn5 h LEU 84 Ca -0.00 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 57.92 1pn5 h LEU 84 Cb 0.20 0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.06 1pn5 h LEU 84 CO 0.01 0.04 0.29 -0.07 -0.62 0.00 0.00 178.44 178.09 1pn5 h LEU 85 N -0.46 0.23 -0.91 2.25 3.38 -0.60 0.93 115.31 120.13 1pn5 h LEU 85 Ca -0.02 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1pn5 h LEU 85 Cb 0.13 0.12 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 1pn5 h LEU 85 CO 0.03 0.06 -0.56 0.25 0.09 0.00 0.00 178.44 178.31 1pn5 h LEU 86 N 0.40 -2.03 -1.68 1.67 5.85 -1.57 -1.19 115.31 116.76 1pn5 h LEU 86 Ca 0.44 0.31 -0.00 0.00 0.84 0.00 0.00 57.88 59.47 1pn5 h LEU 86 Cb 0.72 0.90 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 1pn5 h LEU 86 CO -0.45 -0.26 -0.01 0.00 -0.34 0.00 0.00 178.44 177.38 1pn5 h ALA 87 N 0.54 1.00 0.02 1.25 0.00 -0.86 0.95 119.26 122.15 1pn5 h ALA 87 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pn5 h ALA 87 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pn5 h ALA 87 CO -0.90 0.01 -0.01 -0.97 0.00 0.00 0.00 179.25 177.39 1pn5 h ASN 88 N 0.00 -0.02 0.37 0.00 -0.73 -1.13 -3.33 115.58 110.74 1pn5 h ASN 88 Ca -0.00 -0.76 -0.02 0.00 1.87 0.00 0.00 56.30 57.39 1pn5 h ASN 88 Cb 0.44 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.04 1pn5 h ASN 88 CO 0.00 0.81 -0.21 0.50 -0.37 0.00 0.00 177.43 178.17 1pn5 h LYS 89 N -0.90 -0.52 -2.01 6.67 1.63 -0.83 -3.46 116.57 117.15 1pn5 h LYS 89 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1pn5 h LYS 89 Cb 0.78 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1pn5 h LYS 89 CO 0.00 -0.35 -0.18 0.00 -3.45 0.00 0.00 179.45 175.47 1pn5 n ALA 90 N -2.37 -1.18 0.00 5.00 0.00 0.29 -4.63 120.51 117.63 1pn5 n ALA 90 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1pn5 n ALA 90 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1pn5 n ALA 90 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1pn5 n HIS 91 N 0.75 0.00 0.09 0.00 1.44 -1.26 -2.15 115.22 114.09 1pn5 n HIS 91 Ca 0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 1pn5 n HIS 91 Cb 0.09 -0.27 -0.10 0.00 0.12 0.00 0.00 29.99 29.83 1pn5 n HIS 91 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1pn5 h SER 92 N 0.00 -1.61 -4.91 4.39 0.87 -1.98 -3.49 113.55 106.82 1pn5 h SER 92 Ca 0.00 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1pn5 h SER 92 Cb 0.30 0.60 -0.08 0.00 -0.44 0.00 0.00 62.40 62.78 1pn5 h SER 92 CO 0.00 -0.54 -1.33 0.54 -0.53 0.00 0.00 176.83 174.96 1pn5 n ARG 93 N -5.44 -4.81 -4.02 2.24 1.74 -0.92 -5.13 116.66 100.33 1pn5 n ARG 93 Ca -0.08 3.56 -0.09 0.00 -0.77 0.00 0.00 57.85 60.47 1pn5 n ARG 93 Cb 0.40 -4.86 -0.06 0.00 -1.02 0.00 0.00 32.46 26.92 1pn5 n ARG 93 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1pn5 s SER 94 N -0.63 -0.06 0.00 0.55 0.01 -1.26 -5.07 113.70 107.25 1pn5 s SER 94 Ca -0.17 -0.98 -0.04 0.00 1.31 0.00 0.00 55.95 56.07 1pn5 s SER 94 Cb 0.01 0.57 -0.17 0.00 0.21 0.00 0.00 66.02 66.64 1pn5 s SER 94 CO 0.46 -1.12 2.49 -1.20 0.41 0.00 0.00 173.24 174.28 1pn5 n SER 95 N -0.39 3.34 0.00 2.44 7.64 -1.26 -3.02 113.62 122.37 1pn5 n SER 95 Ca -0.01 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1pn5 n SER 95 Cb 0.62 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1pn5 n SER 95 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pn5 n SER 96 N 2.68 0.00 -1.62 6.43 7.64 -1.26 -5.07 113.62 122.42 1pn5 n SER 96 Ca 0.27 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 1pn5 n SER 96 Cb 0.59 0.14 0.02 0.00 -1.01 0.00 0.00 64.21 63.95 1pn5 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn5 n GLY 97 N -0.03 0.21 3.30 0.23 0.00 -1.17 -5.05 105.19 102.68 1pn5 n GLY 97 Ca 0.00 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 1pn5 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn5 s GLU 98 N -5.25 1.49 0.24 1.61 2.02 -1.25 -4.13 118.70 113.44 1pn5 s GLU 98 Ca 0.18 -1.83 0.08 0.00 0.02 0.00 0.00 54.97 53.42 1pn5 s GLU 98 Cb -0.08 -0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.09 1pn5 s GLU 98 CO 0.23 -0.42 0.09 0.95 0.02 0.00 0.00 175.26 176.12 1pn5 s THR 99 N -3.73 3.97 0.86 3.63 -4.23 -1.26 -5.00 115.64 109.87 1pn5 s THR 99 Ca 0.37 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 59.18 1pn5 s THR 99 Cb 0.06 -3.11 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1pn5 s THR 99 CO 0.16 -0.31 1.11 -2.16 -0.54 0.00 0.00 174.62 172.88 1pn5 s PRO 100 N -3.62 1.58 0.09 3.99 0.04 -1.26 -4.83 135.00 130.99 1pn5 s PRO 100 Ca 0.31 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1pn5 s PRO 100 Cb -0.08 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1pn5 s PRO 100 CO 0.22 -1.94 0.00 0.00 0.04 0.00 0.00 177.00 175.32 1pn5 n ALA 101 N -3.63 -1.74 -1.77 8.56 0.00 -1.26 -4.95 120.51 115.72 1pn5 n ALA 101 Ca 0.07 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.48 1pn5 n ALA 101 Cb 0.57 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.79 1pn5 n ALA 101 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1pn5 s GLN 102 N -0.43 3.79 0.63 0.00 0.00 -1.26 -4.98 119.66 117.40 1pn5 s GLN 102 Ca 0.00 2.40 -0.15 0.00 -0.00 0.00 0.00 55.36 57.61 1pn5 s GLN 102 Cb 0.00 -2.72 -0.02 0.00 0.00 0.00 0.00 33.01 30.28 1pn5 s GLN 102 CO 0.00 -0.73 1.07 -1.25 0.00 0.00 0.00 175.29 174.39 1pn5 s PRO 103 N -2.37 3.10 0.00 9.60 0.04 -1.26 -4.99 135.00 139.13 1pn5 s PRO 103 Ca 0.59 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1pn5 s PRO 103 Cb -0.43 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1pn5 s PRO 103 CO 0.56 -0.99 0.63 0.39 0.04 0.00 0.00 177.00 177.64 1pn5 n GLU 104 N -2.28 0.00 -4.00 4.56 1.02 -1.26 -5.09 120.64 113.58 1pn5 n GLU 104 Ca 0.09 -0.61 -0.34 0.00 -0.02 0.00 0.00 57.16 56.28 1pn5 n GLU 104 Cb 0.53 -0.43 -0.14 0.00 -0.02 0.00 0.00 31.44 31.37 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pn5 s LYS 105 N 0.00 3.30 -0.12 3.49 3.01 -1.26 -5.00 119.74 123.16 1pn5 s LYS 105 Ca 0.00 -0.67 0.05 0.00 -1.01 0.00 0.00 55.97 54.34 1pn5 s LYS 105 Cb 0.00 -2.90 -0.11 0.00 -1.01 0.00 0.00 37.83 33.82 1pn5 s LYS 105 CO 0.00 -0.17 -0.04 -2.37 0.51 0.00 0.00 175.35 173.27 1pn5 n THR 106 N 4.68 0.73 -1.83 2.17 5.66 -1.26 -4.60 114.28 119.83 1pn5 n THR 106 Ca -0.19 -0.36 -0.31 0.00 -3.05 0.00 0.00 64.05 60.15 1pn5 n THR 106 Cb 0.51 -0.85 0.03 0.00 -1.55 0.00 0.00 70.33 68.47 1pn5 n THR 106 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1pn5 s SER 107 N -4.78 5.78 0.23 1.09 0.15 -1.26 -4.88 113.70 110.02 1pn5 s SER 107 Ca -0.12 1.33 -0.06 0.00 0.70 0.00 0.00 55.95 57.80 1pn5 s SER 107 Cb 0.04 -2.26 0.32 0.00 -1.71 0.00 0.00 66.02 62.41 1pn5 s SER 107 CO 0.36 -1.15 1.83 1.23 1.20 0.00 0.00 173.24 176.70 1pn5 h GLY 108 N -0.52 1.18 0.52 9.45 0.00 -1.90 -1.00 103.07 110.80 1pn5 h GLY 108 Ca -0.44 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 46.67 1pn5 h GLY 108 CO 0.62 0.19 0.64 -0.33 0.00 0.00 0.00 176.54 177.66 1pn5 h MET 109 N 0.82 0.99 -0.06 4.80 2.86 -1.83 -0.58 114.93 121.94 1pn5 h MET 109 Ca 0.36 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.74 1pn5 h MET 109 Cb 0.23 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 31.68 1pn5 h MET 109 CO -0.20 0.66 -0.74 0.93 1.06 0.00 0.00 176.91 178.62 1pn5 h GLU 110 N 1.02 0.60 -0.03 1.72 4.39 -1.72 -2.55 114.58 118.02 1pn5 h GLU 110 Ca 0.49 -0.57 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1pn5 h GLU 110 Cb 0.44 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1pn5 h GLU 110 CO -0.25 1.19 0.03 0.28 -1.16 0.00 0.00 179.01 179.10 1pn5 h VAL 111 N 0.23 0.51 0.32 3.13 2.07 -0.64 -0.86 116.25 121.01 1pn5 h VAL 111 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1pn5 h VAL 111 Cb 1.40 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1pn5 h VAL 111 CO 0.15 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.59 1pn5 h ALA 112 N 1.96 -0.79 0.00 1.67 0.00 -0.72 -1.32 119.26 120.06 1pn5 h ALA 112 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pn5 h ALA 112 Cb 0.08 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pn5 h ALA 112 CO -0.00 -0.76 0.00 0.77 0.00 0.00 0.00 179.25 179.26 1pn5 h SER 113 N -0.58 0.00 0.24 0.00 0.02 -1.37 -1.73 113.55 110.14 1pn5 h SER 113 Ca -0.04 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1pn5 h SER 113 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1pn5 h SER 113 CO 0.07 0.00 -0.12 0.22 -1.14 0.00 0.00 176.83 175.87 1pn5 h TYR 114 N 0.00 -0.30 -0.23 3.45 3.20 -1.19 -3.23 116.97 118.66 1pn5 h TYR 114 Ca 0.00 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1pn5 h TYR 114 Cb 0.24 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1pn5 h TYR 114 CO 0.00 0.08 -0.32 1.25 -1.64 0.00 0.00 178.16 177.53 1pn5 h LEU 115 N -0.85 0.49 -1.83 2.82 5.85 -0.33 0.25 115.31 121.71 1pn5 h LEU 115 Ca -0.03 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1pn5 h LEU 115 Cb 0.51 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1pn5 h LEU 115 CO 0.05 0.79 -0.10 0.58 -0.34 0.00 0.00 178.44 179.42 1pn5 h VAL 116 N 0.41 0.41 0.04 1.05 2.07 -1.64 -1.25 116.25 117.34 1pn5 h VAL 116 Ca 0.05 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1pn5 h VAL 116 Cb 0.76 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1pn5 h VAL 116 CO 0.06 0.10 -0.31 0.00 0.02 0.00 0.00 177.57 177.44 1pn5 h ALA 117 N 1.90 -0.01 -0.60 1.67 0.00 -1.03 -1.17 119.26 120.02 1pn5 h ALA 117 Ca -0.00 -0.54 0.11 0.00 0.00 0.00 0.00 54.91 54.48 1pn5 h ALA 117 Cb 0.39 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 1pn5 h ALA 117 CO 0.01 0.13 0.15 1.96 0.00 0.00 0.00 179.25 181.51 1pn5 h GLN 118 N -0.63 0.29 0.00 0.00 1.08 -0.89 -3.41 115.11 111.55 1pn5 h GLN 118 Ca -0.05 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1pn5 h GLN 118 Cb 1.17 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1pn5 h GLN 118 CO 0.06 0.19 0.00 0.66 -0.95 0.00 0.00 178.83 178.79 1pn5 n TYR 119 N -5.09 0.00 -1.61 2.96 4.01 -0.49 -5.06 117.16 111.88 1pn5 n TYR 119 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1pn5 n TYR 119 Cb 0.31 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1pn5 n TYR 119 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pn5 n GLY 120 N 3.63 -0.57 0.29 2.72 0.00 -0.44 -4.91 105.19 105.91 1pn5 n GLY 120 Ca 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 1pn5 n GLY 120 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pn5 h GLU 121 N 3.30 0.85 0.00 1.61 5.08 -1.89 -2.77 114.58 120.76 1pn5 h GLU 121 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1pn5 h GLU 121 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1pn5 h GLU 121 CO 0.00 0.56 0.00 1.04 -1.00 0.00 0.00 179.01 179.61 1pn5 n GLN 122 N -4.67 0.00 0.00 2.33 1.13 -1.26 -1.13 117.38 113.79 1pn5 n GLN 122 Ca 0.09 0.02 0.08 0.00 -1.94 0.00 0.00 57.00 55.25 1pn5 n GLN 122 Cb 0.12 -0.93 0.41 0.00 0.11 0.00 0.00 30.24 29.96 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1pn5 n ARG 123 N -0.56 0.26 0.00 -1.09 3.00 -1.26 -0.49 116.66 116.52 1pn5 n ARG 123 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.85 57.96 1pn5 n ARG 123 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1pn5 n ARG 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pn5 n ALA 124 N -1.25 -0.27 -0.06 7.54 0.00 -1.04 -3.65 120.51 121.78 1pn5 n ALA 124 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.36 1pn5 n ALA 124 Cb 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 1pn5 n ALA 124 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1pn5 h TRP 125 N 0.00 1.04 -0.96 0.00 -0.00 -0.36 0.48 115.95 116.15 1pn5 h TRP 125 Ca 0.00 -0.40 0.05 0.00 -0.00 0.00 0.00 58.89 58.53 1pn5 h TRP 125 Cb 0.00 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.16 28.92 1pn5 h TRP 125 CO 0.12 1.22 0.62 0.22 -0.00 0.00 0.00 178.44 180.63 1pn5 h ASP 126 N 0.56 1.02 0.35 2.65 3.58 -0.98 0.31 116.42 123.91 1pn5 h ASP 126 Ca -0.01 -0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.19 1pn5 h ASP 126 Cb 1.21 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 42.05 1pn5 h ASP 126 CO 0.13 0.68 -1.08 0.25 -2.88 0.00 0.00 179.24 176.34 1pn5 h LEU 127 N 1.18 0.59 -0.61 2.28 6.46 -1.60 -3.19 115.31 120.43 1pn5 h LEU 127 Ca 0.40 -0.52 0.07 0.00 -0.12 0.00 0.00 57.88 57.70 1pn5 h LEU 127 Cb 0.06 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.75 1pn5 h LEU 127 CO -0.14 1.35 0.30 0.00 -0.62 0.00 0.00 178.44 179.32 1pn5 h ALA 128 N 0.60 0.80 0.00 1.25 0.00 0.04 0.50 119.26 122.45 1pn5 h ALA 128 Ca -0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pn5 h ALA 128 Cb 1.75 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1pn5 h ALA 128 CO 0.19 -0.07 -0.03 -0.07 0.00 0.00 0.00 179.25 179.27 1pn5 h LEU 129 N 0.54 0.00 0.00 0.00 3.38 -1.02 -0.02 115.31 118.19 1pn5 h LEU 129 Ca 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1pn5 h LEU 129 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1pn5 h LEU 129 CO -0.22 0.03 -0.28 -0.74 0.09 0.00 0.00 178.44 177.31 1pn5 h HIS 130 N 0.00 0.28 0.00 1.13 2.76 -1.28 -3.36 115.15 114.68 1pn5 h HIS 130 Ca -0.00 -0.16 -0.01 0.00 -2.20 0.00 0.00 60.37 58.00 1pn5 h HIS 130 Cb 0.38 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 1pn5 h HIS 130 CO 0.00 0.96 -0.05 1.15 -1.30 0.00 0.00 177.93 178.69 1pn5 h THR 131 N -0.47 0.61 0.00 6.26 2.02 0.99 0.29 112.91 122.61 1pn5 h THR 131 Ca -0.04 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1pn5 h THR 131 Cb 1.04 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1pn5 h THR 131 CO 0.06 0.05 -0.11 -0.50 0.37 0.00 0.00 175.52 175.39 1pn5 h TRP 132 N 0.00 0.00 -0.45 3.16 6.55 -1.58 -2.51 115.95 121.12 1pn5 h TRP 132 Ca -0.00 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.77 1pn5 h TRP 132 Cb 0.13 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.41 1pn5 h TRP 132 CO 0.00 0.11 -0.00 1.05 -1.05 0.00 0.00 178.44 178.54 1pn5 h GLU 133 N 0.00 0.75 0.71 0.49 -0.00 -0.58 0.86 114.58 116.80 1pn5 h GLU 133 Ca -0.00 -0.19 -0.03 0.00 -0.00 0.00 0.00 59.36 59.13 1pn5 h GLU 133 Cb 0.89 -0.09 0.01 0.00 -0.00 0.00 0.00 28.75 29.56 1pn5 h GLU 133 CO 0.01 0.76 -0.34 1.96 -0.00 0.00 0.00 179.01 181.40 1pn5 h GLN 134 N 0.70 -0.91 -0.20 1.06 4.20 -1.25 -3.31 115.11 115.40 1pn5 h GLN 134 Ca 0.14 0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1pn5 h GLN 134 Cb 0.43 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1pn5 h GLN 134 CO 0.02 -0.60 0.11 0.52 -0.67 0.00 0.00 178.83 178.20 1pn5 h MET 135 N -1.24 0.28 0.00 1.46 2.86 -1.49 -3.48 114.93 113.32 1pn5 h MET 135 Ca -0.10 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1pn5 h MET 135 Cb 0.73 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1pn5 h MET 135 CO 0.16 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.81 1pn5 n GLY 136 N -0.91 0.93 2.90 8.32 0.00 0.20 -5.06 105.19 111.58 1pn5 n GLY 136 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pn5 n LEU 137 N 0.00 5.84 0.10 0.99 7.99 -0.64 -4.81 117.00 126.46 1pn5 n LEU 137 Ca 0.00 -5.26 0.05 0.00 -0.01 0.00 0.00 56.01 50.80 1pn5 n LEU 137 Cb 0.00 -1.16 0.50 0.00 -0.11 0.00 0.00 43.42 42.65 1pn5 n LEU 137 CO 0.00 1.75 1.11 -0.09 -1.51 0.00 0.00 177.39 178.65 1pn5 h ARG 138 N 5.24 0.33 -0.81 3.23 2.43 -1.97 -1.51 114.38 121.32 1pn5 h ARG 138 Ca 0.20 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1pn5 h ARG 138 Cb 0.63 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 1pn5 h ARG 138 CO 1.22 0.24 0.50 0.77 -1.51 0.00 0.00 179.97 181.18 1pn5 h SER 139 N 0.34 0.77 -0.03 -3.80 0.02 -1.98 0.48 113.55 109.35 1pn5 h SER 139 Ca 0.09 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1pn5 h SER 139 Cb -0.01 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1pn5 h SER 139 CO -0.02 0.49 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.03 1pn5 h LEU 140 N 0.91 0.12 -2.07 5.07 -0.00 -1.70 0.18 115.31 117.82 1pn5 h LEU 140 Ca 0.36 -0.59 0.11 0.00 -0.00 0.00 0.00 57.88 57.76 1pn5 h LEU 140 Cb 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1pn5 h LEU 140 CO -0.17 0.68 0.32 0.00 -0.00 0.00 0.00 178.44 179.26 1pn5 h ALA 142 N 1.71 -0.23 -0.90 0.00 0.00 -0.49 -3.36 119.26 115.98 1pn5 h ALA 142 Ca 0.17 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.24 1pn5 h ALA 142 Cb 0.81 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 1pn5 h ALA 142 CO -0.00 -0.22 0.44 1.96 0.00 0.00 0.00 179.25 181.43 1pn5 h GLN 143 N -0.89 0.49 -0.00 0.00 4.20 -0.14 0.19 115.11 118.96 1pn5 h GLN 143 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pn5 h GLN 143 Cb 0.16 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1pn5 h GLN 143 CO 0.03 0.32 0.03 0.00 -0.67 0.00 0.00 178.83 178.54 1pn5 h ALA 144 N 1.67 1.04 0.00 3.87 0.00 -0.88 -3.10 119.26 121.85 1pn5 h ALA 144 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1pn5 h ALA 144 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pn5 h ALA 144 CO -0.47 -0.03 0.00 1.04 0.00 0.00 0.00 179.25 179.79 1pn5 n GLN 145 N -3.08 3.36 0.00 0.00 6.02 0.41 -4.84 117.38 119.25 1pn5 n GLN 145 Ca -0.03 -0.07 0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1pn5 n GLN 145 Cb 0.10 -0.43 0.30 0.00 1.02 0.00 0.00 30.24 31.23 1pn5 n GLN 145 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pn5 n GLU 146 N -0.50 0.34 -1.16 -1.09 -0.58 0.34 -4.80 120.64 113.20 1pn5 n GLU 146 Ca 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.68 1pn5 n GLU 146 Cb 0.02 -1.45 -0.02 0.00 -0.57 0.00 0.00 31.44 29.41 1pn5 n GLU 146 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pn5 n GLY 147 N -0.30 0.67 0.01 0.62 0.00 -1.26 -4.86 105.19 100.08 1pn5 n GLY 147 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pn5 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 n ALA 148 N 1.10 2.03 -3.12 4.61 0.00 -1.26 -5.04 120.51 118.84 1pn5 n ALA 148 Ca -0.06 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1pn5 n ALA 148 Cb 0.38 -0.01 0.05 0.00 0.00 0.00 0.00 19.45 19.87 1pn5 n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn5 n GLY 149 N 2.47 0.02 6.12 0.00 0.00 -1.26 -4.68 105.19 107.86 1pn5 n GLY 149 Ca -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1pn5 n GLY 149 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pn5 n HIS 150 N -3.83 -1.83 -1.88 1.61 -0.00 -1.26 -5.08 115.22 102.95 1pn5 n HIS 150 Ca -0.03 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1pn5 n HIS 150 Cb 0.55 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79