#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn5 n ALA 60 N 0.00 1.55 0.00 3.17 0.00 -1.26 -4.82 120.51 119.15 1pn5 n ALA 60 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1pn5 n ALA 60 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.23 1pn5 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn5 n GLY 61 N 0.00 0.91 0.00 0.00 0.00 -1.26 -0.45 105.19 104.38 1pn5 n GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pn5 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pn5 n GLY 62 N 0.00 1.21 0.00 -0.02 0.00 -1.26 -4.85 105.19 100.26 1pn5 n GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pn5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 n ALA 63 N 0.00 0.00 -0.32 4.61 0.00 -0.23 -5.06 120.51 119.51 1pn5 n ALA 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn5 n ALA 63 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -1.38 0.00 0.00 4.27 0.40 -4.80 117.44 115.93 1pn5 n TRP 64 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1pn5 n TRP 64 Cb 0.00 0.34 0.00 0.00 -1.36 0.00 0.00 31.31 30.29 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 -0.81 0.48 0.32 -1.67 0.00 -0.55 -2.00 105.19 100.95 1pn5 n GLY 65 Ca 0.00 0.76 0.28 0.00 0.00 0.00 0.00 46.02 47.06 1pn5 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pn5 n ARG 66 N 0.00 -0.06 -0.31 1.61 3.00 -1.26 -1.03 116.66 118.61 1pn5 n ARG 66 Ca 0.00 1.39 0.11 0.00 -0.01 0.00 0.00 57.85 59.34 1pn5 n ARG 66 Cb 0.00 -2.44 0.28 0.00 0.00 0.00 0.00 32.46 30.30 1pn5 n ARG 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1pn5 h LEU 67 N 0.00 0.54 -2.54 0.55 3.38 -1.80 -0.25 115.31 115.18 1pn5 h LEU 67 Ca 0.79 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.87 1pn5 h LEU 67 Cb 2.02 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 1pn5 h LEU 67 CO -0.80 0.17 -0.02 0.00 0.09 0.00 0.00 178.44 177.88 1pn5 h ALA 68 N 1.63 1.30 0.00 1.53 0.00 -1.35 -1.04 119.26 121.34 1pn5 h ALA 68 Ca 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 1pn5 h ALA 68 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pn5 h ALA 68 CO -0.42 0.02 -0.00 0.00 0.00 0.00 0.00 179.25 178.85 1pn5 h TYR 70 N -0.37 0.73 0.00 0.00 -1.99 -1.29 -1.63 116.97 112.42 1pn5 h TYR 70 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1pn5 h TYR 70 Cb 0.37 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1pn5 h TYR 70 CO 0.05 0.32 0.00 1.28 -0.00 0.00 0.00 178.16 179.81 1pn5 n LEU 71 N -4.78 0.00 0.00 3.88 4.77 -0.51 -3.37 117.00 116.99 1pn5 n LEU 71 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1pn5 n LEU 71 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1pn5 n LEU 71 CO 0.27 0.00 0.09 -1.84 -1.33 0.00 0.00 177.39 174.59 1pn5 n GLU 72 N -0.52 2.55 -0.34 3.23 0.28 -0.64 -3.76 120.64 121.43 1pn5 n GLU 72 Ca 0.01 -0.18 0.02 0.00 -0.16 0.00 0.00 57.16 56.85 1pn5 n GLU 72 Cb 0.01 -0.62 0.16 0.00 1.43 0.00 0.00 31.44 32.41 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1pn5 h PHE 73 N 0.00 1.11 -2.43 -1.84 -5.15 -1.50 -3.43 116.94 103.70 1pn5 h PHE 73 Ca 0.00 0.03 -0.45 0.00 -0.20 0.00 0.00 57.97 57.35 1pn5 h PHE 73 Cb 0.05 -0.36 0.03 0.00 0.22 0.00 0.00 35.95 35.89 1pn5 h PHE 73 CO 0.00 0.57 -0.14 -0.48 -2.00 0.00 0.00 178.31 176.25 1pn5 s LEU 74 N -10.19 3.64 0.00 2.10 0.05 -1.26 -5.15 118.68 107.88 1pn5 s LEU 74 Ca -0.12 0.09 0.01 0.00 0.05 0.00 0.00 54.13 54.15 1pn5 s LEU 74 Cb 0.19 -2.99 -0.00 0.00 -2.05 0.00 0.00 46.19 41.34 1pn5 s LEU 74 CO 0.80 -0.74 0.02 0.29 -0.55 0.00 0.00 176.35 176.18 1pn5 n LYS 75 N -2.03 1.14 0.10 1.48 5.02 -1.26 -4.82 118.16 117.79 1pn5 n LYS 75 Ca 0.03 -0.62 0.18 0.00 -2.02 0.00 0.00 58.31 55.88 1pn5 n LYS 75 Cb 0.58 0.28 0.56 0.00 -0.02 0.00 0.00 35.03 36.44 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 -0.54 1.97 6.56 -1.94 0.22 116.57 122.84 1pn5 h LYS 76 Ca -0.06 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.58 1pn5 h LYS 76 Cb 0.22 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.81 1pn5 h LYS 76 CO 0.10 0.00 -0.32 0.39 -2.06 0.00 0.00 179.45 177.56 1pn5 n GLU 77 N -3.21 -0.24 0.00 3.15 1.02 -1.26 -3.38 120.64 116.72 1pn5 n GLU 77 Ca 0.08 1.18 0.00 0.00 -0.02 0.00 0.00 57.16 58.40 1pn5 n GLU 77 Cb 0.88 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1pn5 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pn5 n GLU 78 N -4.23 1.73 -0.25 3.49 1.02 0.12 -4.51 120.64 118.01 1pn5 n GLU 78 Ca 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1pn5 n GLU 78 Cb 0.14 -0.89 0.09 0.00 -0.02 0.00 0.00 31.44 30.76 1pn5 n GLU 78 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1pn5 h LEU 79 N 0.00 0.65 0.37 -4.62 5.85 -0.87 0.90 115.31 117.59 1pn5 h LEU 79 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pn5 h LEU 79 Cb 0.18 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1pn5 h LEU 79 CO 0.00 0.43 -0.18 0.50 -0.34 0.00 0.00 178.44 178.86 1pn5 h LYS 80 N 0.79 -0.48 -0.81 1.25 1.63 -1.73 -2.03 116.57 115.18 1pn5 h LYS 80 Ca 0.30 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.18 1pn5 h LYS 80 Cb 0.12 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.80 1pn5 h LYS 80 CO -0.15 -0.22 0.51 1.49 -3.45 0.00 0.00 179.45 177.63 1pn5 h GLU 81 N -0.68 0.92 -0.02 1.90 4.81 -1.74 -0.50 114.58 119.27 1pn5 h GLU 81 Ca -0.05 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1pn5 h GLU 81 Cb 0.48 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1pn5 h GLU 81 CO 0.08 0.61 -0.44 0.35 -0.73 0.00 0.00 179.01 178.88 1pn5 h PHE 82 N 0.95 -1.29 0.00 0.92 3.04 -0.75 0.18 116.94 119.98 1pn5 h PHE 82 Ca 0.34 0.04 -0.06 0.00 3.98 0.00 0.00 57.97 62.28 1pn5 h PHE 82 Cb 0.11 0.57 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 1pn5 h PHE 82 CO -0.04 -0.46 -0.27 -0.56 -2.02 0.00 0.00 178.31 174.96 1pn5 h GLN 83 N -0.54 0.00 0.44 1.11 3.07 -0.74 -0.79 115.11 117.66 1pn5 h GLN 83 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.73 1pn5 h GLN 83 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.15 1pn5 h GLN 83 CO -0.30 0.27 -0.21 1.25 0.09 0.00 0.00 178.83 179.92 1pn5 h LEU 84 N 0.00 -0.50 -0.84 0.06 6.46 -0.67 -1.88 115.31 117.94 1pn5 h LEU 84 Ca -0.00 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1pn5 h LEU 84 Cb 0.53 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1pn5 h LEU 84 CO 0.03 -0.07 0.54 -0.07 -0.62 0.00 0.00 178.44 178.26 1pn5 h LEU 85 N -1.10 0.91 0.72 2.25 3.38 -0.55 0.21 115.31 121.13 1pn5 h LEU 85 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1pn5 h LEU 85 Cb 0.51 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1pn5 h LEU 85 CO 0.10 0.63 -0.35 0.25 0.09 0.00 0.00 178.44 179.16 1pn5 h LEU 86 N 1.07 -0.83 -1.44 1.67 6.46 -1.25 -1.76 115.31 119.23 1pn5 h LEU 86 Ca 0.33 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.18 1pn5 h LEU 86 Cb -0.03 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 1pn5 h LEU 86 CO -0.10 -0.59 0.44 0.00 -0.62 0.00 0.00 178.44 177.57 1pn5 h ALA 87 N -0.68 1.74 0.68 1.25 0.00 -0.92 -0.65 119.26 120.68 1pn5 h ALA 87 Ca -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1pn5 h ALA 87 Cb 0.75 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pn5 h ALA 87 CO 0.16 0.15 -0.33 -0.97 0.00 0.00 0.00 179.25 178.27 1pn5 h ASN 88 N 0.69 -0.78 0.80 0.00 -0.73 -0.83 -3.35 115.58 111.38 1pn5 h ASN 88 Ca 0.29 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.42 1pn5 h ASN 88 Cb 0.25 0.20 0.01 0.00 0.27 0.00 0.00 38.32 39.05 1pn5 h ASN 88 CO -0.09 -0.50 -0.38 0.11 -0.37 0.00 0.00 177.43 176.20 1pn5 h LYS 89 N -1.00 -1.03 0.00 6.67 1.79 -0.67 -3.45 116.57 118.87 1pn5 h LYS 89 Ca -0.09 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1pn5 h LYS 89 Cb 0.73 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1pn5 h LYS 89 CO 0.15 -0.68 0.00 0.00 -1.08 0.00 0.00 179.45 177.85 1pn5 n ALA 90 N -2.62 0.00 -0.78 3.86 0.00 -0.31 -4.02 120.51 116.64 1pn5 n ALA 90 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.34 1pn5 n ALA 90 Cb 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.85 -2.11 -3.61 0.00 -0.00 -1.26 -5.10 115.22 102.28 1pn5 n HIS 91 Ca 0.00 1.16 -0.09 0.00 -0.00 0.00 0.00 57.72 58.79 1pn5 n HIS 91 Cb 0.00 -1.97 -0.06 0.00 -0.00 0.00 0.00 29.99 27.96 1pn5 n HIS 91 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1pn5 s SER 92 N -4.96 -0.33 -0.08 4.39 0.15 -1.26 -5.11 113.70 106.50 1pn5 s SER 92 Ca 0.00 0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.95 1pn5 s SER 92 Cb 0.00 0.43 -0.05 0.00 -1.71 0.00 0.00 66.02 64.70 1pn5 s SER 92 CO 0.00 -0.22 0.49 -0.60 1.20 0.00 0.00 173.24 174.10 1pn5 s ARG 93 N -0.58 4.27 1.35 5.44 3.52 -1.26 -4.94 118.95 126.75 1pn5 s ARG 93 Ca 0.02 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1pn5 s ARG 93 Cb -0.02 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1pn5 s ARG 93 CO -0.03 0.28 0.00 0.43 -0.81 0.00 0.00 175.30 175.16 1pn5 n SER 94 N 3.23 -5.39 -4.32 -2.12 7.64 -1.26 -4.74 113.62 106.65 1pn5 n SER 94 Ca -0.08 0.28 -0.39 0.00 1.01 0.00 0.00 58.87 59.69 1pn5 n SER 94 Cb 0.52 -0.80 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 1pn5 n SER 94 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pn5 s SER 95 N -4.45 5.46 -0.14 6.43 1.04 -1.26 -5.06 113.70 115.72 1pn5 s SER 95 Ca 0.00 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.36 1pn5 s SER 95 Cb 0.00 -1.93 0.07 0.00 0.10 0.00 0.00 66.02 64.26 1pn5 s SER 95 CO 0.00 -0.33 0.26 -0.44 0.98 0.00 0.00 173.24 173.71 1pn5 s SER 96 N 1.48 0.44 0.34 7.02 0.01 -1.26 -4.98 113.70 116.75 1pn5 s SER 96 Ca 0.00 0.51 0.12 0.00 1.31 0.00 0.00 55.95 57.89 1pn5 s SER 96 Cb -0.19 0.67 0.62 0.00 0.21 0.00 0.00 66.02 67.33 1pn5 s SER 96 CO 0.04 -0.25 1.77 1.23 0.41 0.00 0.00 173.24 176.44 1pn5 h GLY 97 N 8.29 0.01 0.00 3.44 0.00 -2.02 -3.49 103.07 109.30 1pn5 h GLY 97 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1pn5 h GLY 97 CO 0.15 0.01 0.00 -2.21 0.00 0.00 0.00 176.54 174.49 1pn5 n GLU 98 N -4.02 0.00 -1.85 4.80 0.00 -1.26 -4.50 120.64 113.81 1pn5 n GLU 98 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.73 1pn5 n GLU 98 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.88 1pn5 n GLU 98 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1pn5 s THR 99 N 0.00 2.27 0.60 6.31 -4.23 -1.26 -5.00 115.64 114.33 1pn5 s THR 99 Ca 0.00 0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 60.58 1pn5 s THR 99 Cb 0.00 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1pn5 s THR 99 CO 0.00 0.03 1.07 -2.16 -0.54 0.00 0.00 174.62 173.02 1pn5 s PRO 100 N -0.21 3.26 -0.11 3.99 0.04 -1.26 -5.07 135.00 135.64 1pn5 s PRO 100 Ca 0.64 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 1pn5 s PRO 100 Cb -0.46 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.10 1pn5 s PRO 100 CO 0.44 -0.86 0.42 0.00 0.04 0.00 0.00 177.00 177.04 1pn5 s ALA 101 N -2.40 -1.06 0.13 8.56 0.00 -1.26 -5.18 121.76 120.55 1pn5 s ALA 101 Ca 0.64 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.66 1pn5 s ALA 101 Cb -0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 1pn5 s ALA 101 CO 0.37 -0.24 -0.16 -0.65 0.00 0.00 0.00 175.76 175.08 1pn5 s GLN 102 N -0.34 1.08 -0.16 0.00 -0.21 -1.26 -5.08 119.66 113.69 1pn5 s GLN 102 Ca -0.05 -1.26 -0.24 0.00 0.02 0.00 0.00 55.36 53.84 1pn5 s GLN 102 Cb -0.03 -1.05 -0.02 0.00 1.00 0.00 0.00 33.01 32.90 1pn5 s GLN 102 CO 0.03 0.21 0.75 -1.25 -2.12 0.00 0.00 175.29 172.90 1pn5 s PRO 103 N -2.58 4.29 -0.03 2.91 0.04 -1.26 -4.96 135.00 133.41 1pn5 s PRO 103 Ca 0.10 0.87 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1pn5 s PRO 103 Cb -0.06 -3.55 0.15 0.00 0.04 0.00 0.00 34.50 31.08 1pn5 s PRO 103 CO 0.04 -0.23 0.83 -0.85 0.04 0.00 0.00 177.00 176.83 1pn5 n GLU 104 N 4.92 1.63 -4.17 4.56 -0.00 -1.26 -4.84 120.64 121.48 1pn5 n GLU 104 Ca 0.02 -0.57 -0.10 0.00 -0.00 0.00 0.00 57.16 56.50 1pn5 n GLU 104 Cb 0.49 -1.51 -0.10 0.00 -0.00 0.00 0.00 31.44 30.33 1pn5 n GLU 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1pn5 s LYS 105 N -1.46 0.92 0.00 3.44 0.00 -1.26 -5.10 119.74 116.28 1pn5 s LYS 105 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 55.97 54.64 1pn5 s LYS 105 Cb 0.07 0.09 0.00 0.00 0.00 0.00 0.00 37.83 37.99 1pn5 s LYS 105 CO 0.04 -0.19 0.23 -2.37 0.00 0.00 0.00 175.35 173.06 1pn5 n THR 106 N -0.10 0.00 -4.42 3.79 5.66 -1.26 -5.01 114.28 112.94 1pn5 n THR 106 Ca -0.07 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.68 1pn5 n THR 106 Cb 0.63 1.03 -0.11 0.00 -1.55 0.00 0.00 70.33 70.33 1pn5 n THR 106 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1pn5 s SER 107 N 0.00 3.31 0.11 1.09 0.01 -1.26 -4.79 113.70 112.16 1pn5 s SER 107 Ca 0.00 -0.94 -0.14 0.00 1.31 0.00 0.00 55.95 56.18 1pn5 s SER 107 Cb 0.00 -0.25 -0.08 0.00 0.21 0.00 0.00 66.02 65.90 1pn5 s SER 107 CO 0.00 0.04 1.42 1.23 0.41 0.00 0.00 173.24 176.34 1pn5 h GLY 108 N 2.81 0.82 2.00 3.44 0.00 -1.91 -2.59 103.07 107.64 1pn5 h GLY 108 Ca -0.43 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.04 1pn5 h GLY 108 CO 0.54 0.77 -0.02 0.00 0.00 0.00 0.00 176.54 177.83 1pn5 h MET 109 N 0.50 0.00 0.26 4.80 -0.00 -1.82 -2.08 114.93 116.59 1pn5 h MET 109 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.73 1pn5 h MET 109 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 1pn5 h MET 109 CO 0.08 0.02 -0.13 0.93 -0.00 0.00 0.00 176.91 177.81 1pn5 h GLU 110 N 0.00 -0.34 -0.12 -0.10 5.08 -1.89 -3.32 114.58 113.88 1pn5 h GLU 110 Ca -0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1pn5 h GLU 110 Cb 0.17 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1pn5 h GLU 110 CO 0.00 -0.12 0.12 -0.39 -1.00 0.00 0.00 179.01 177.63 1pn5 h VAL 111 N -1.05 0.61 -0.40 3.13 -1.51 -1.33 -2.42 116.25 113.28 1pn5 h VAL 111 Ca -0.04 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.49 1pn5 h VAL 111 Cb 0.38 0.91 -0.08 0.00 -2.13 0.00 0.00 31.29 30.36 1pn5 h VAL 111 CO 0.06 0.00 -0.52 0.00 -1.23 0.00 0.00 177.57 175.88 1pn5 h ALA 112 N 1.88 -0.67 0.00 5.19 0.00 -1.48 0.12 119.26 124.29 1pn5 h ALA 112 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1pn5 h ALA 112 Cb 0.30 1.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1pn5 h ALA 112 CO -0.00 -1.00 -0.22 0.77 0.00 0.00 0.00 179.25 178.81 1pn5 h SER 113 N -0.39 0.00 -0.05 0.00 0.02 -1.58 -2.94 113.55 108.61 1pn5 h SER 113 Ca 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1pn5 h SER 113 Cb 0.60 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1pn5 h SER 113 CO -0.58 0.22 -0.00 0.22 -1.14 0.00 0.00 176.83 175.54 1pn5 h TYR 114 N 0.00 0.10 -0.92 3.45 3.20 -1.05 0.01 116.97 121.76 1pn5 h TYR 114 Ca -0.00 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pn5 h TYR 114 Cb 0.46 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 1pn5 h TYR 114 CO 0.00 0.38 0.61 -0.07 -1.64 0.00 0.00 178.16 177.44 1pn5 h LEU 115 N -0.21 1.06 -0.52 2.82 3.38 -0.75 0.14 115.31 121.23 1pn5 h LEU 115 Ca 0.01 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1pn5 h LEU 115 Cb 0.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1pn5 h LEU 115 CO 0.00 0.77 0.03 0.58 0.09 0.00 0.00 178.44 179.91 1pn5 h VAL 116 N 1.25 1.26 -0.06 1.22 2.07 -1.43 -1.32 116.25 119.24 1pn5 h VAL 116 Ca 0.34 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1pn5 h VAL 116 Cb -0.14 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1pn5 h VAL 116 CO -0.07 0.37 -0.06 0.00 0.02 0.00 0.00 177.57 177.83 1pn5 h ALA 117 N 0.96 1.79 0.09 1.67 0.00 0.55 0.51 119.26 124.81 1pn5 h ALA 117 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pn5 h ALA 117 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pn5 h ALA 117 CO 0.02 0.16 -0.04 1.96 0.00 0.00 0.00 179.25 181.35 1pn5 h GLN 118 N 0.09 -0.11 -0.00 0.00 1.08 -0.57 -3.44 115.11 112.15 1pn5 h GLN 118 Ca 0.02 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1pn5 h GLN 118 Cb 0.17 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1pn5 h GLN 118 CO 0.01 -0.08 -0.17 0.66 -0.95 0.00 0.00 178.83 178.30 1pn5 n TYR 119 N -2.43 0.00 -0.45 2.96 4.01 -0.52 -5.10 117.16 115.64 1pn5 n TYR 119 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.79 1pn5 n TYR 119 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.91 -1.64 0.37 2.72 0.00 0.13 -4.37 105.19 103.31 1pn5 n GLY 120 Ca 0.01 -1.41 0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.42 0.00 0.00 1.61 5.08 -1.87 -3.12 114.58 115.86 1pn5 h GLU 121 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pn5 h GLU 121 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1pn5 h GLU 121 CO 0.01 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.06 1pn5 n GLN 122 N -3.94 0.00 0.28 2.33 1.13 -1.26 -2.13 117.38 113.79 1pn5 n GLN 122 Ca 0.06 0.11 0.17 0.00 -1.94 0.00 0.00 57.00 55.40 1pn5 n GLN 122 Cb 0.51 -0.98 0.75 0.00 0.11 0.00 0.00 30.24 30.63 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pn5 h ARG 123 N 0.00 0.00 0.00 -1.09 -0.00 -1.79 0.16 114.38 111.67 1pn5 h ARG 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1pn5 h ARG 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1pn5 h ARG 123 CO 0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.97 180.00 1pn5 n ALA 124 N -2.12 1.06 0.00 0.04 0.00 -1.17 -1.45 120.51 116.87 1pn5 n ALA 124 Ca -0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1pn5 n ALA 124 Cb 0.28 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1pn5 n ALA 124 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1pn5 n TRP 125 N -2.18 0.00 -0.29 0.00 -0.00 -0.59 -4.61 117.44 109.76 1pn5 n TRP 125 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.58 1pn5 n TRP 125 Cb 0.04 0.01 0.25 0.00 -0.00 0.00 0.00 31.31 31.61 1pn5 n TRP 125 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 1pn5 h ASP 126 N 0.00 0.39 0.21 5.87 3.58 -0.72 0.37 116.42 126.13 1pn5 h ASP 126 Ca 0.00 0.12 -0.32 0.00 0.42 0.00 0.00 57.03 57.25 1pn5 h ASP 126 Cb 0.96 0.08 0.03 0.00 1.72 0.00 0.00 39.33 42.11 1pn5 h ASP 126 CO 0.00 0.11 -1.47 0.25 -2.88 0.00 0.00 179.24 175.25 1pn5 h LEU 127 N 0.50 0.70 -1.39 2.28 5.85 -1.46 -3.16 115.31 118.62 1pn5 h LEU 127 Ca 0.49 -0.93 0.21 0.00 0.84 0.00 0.00 57.88 58.49 1pn5 h LEU 127 Cb 0.80 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 1pn5 h LEU 127 CO -0.44 1.69 0.62 0.00 -0.34 0.00 0.00 178.44 179.97 1pn5 h ALA 128 N 0.11 2.11 -0.76 1.25 0.00 -1.42 -0.74 119.26 119.82 1pn5 h ALA 128 Ca -0.27 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1pn5 h ALA 128 Cb 2.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 1pn5 h ALA 128 CO 0.22 -0.43 0.26 -0.07 0.00 0.00 0.00 179.25 179.22 1pn5 h LEU 129 N 0.48 1.08 -0.56 0.00 -0.00 -0.25 -0.38 115.31 115.68 1pn5 h LEU 129 Ca 0.51 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.88 58.18 1pn5 h LEU 129 Cb 1.18 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 41.53 1pn5 h LEU 129 CO -0.23 0.98 0.26 -0.74 -0.00 0.00 0.00 178.44 178.71 1pn5 h HIS 130 N 1.12 0.81 -0.64 1.13 -0.00 -1.26 -3.10 115.15 113.21 1pn5 h HIS 130 Ca 0.25 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 1pn5 h HIS 130 Cb 0.27 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 1pn5 h HIS 130 CO 0.02 0.63 0.33 1.15 -0.00 0.00 0.00 177.93 180.06 1pn5 h THR 131 N 0.75 1.20 -0.54 6.26 2.02 -0.23 -0.11 112.91 122.27 1pn5 h THR 131 Ca 0.19 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1pn5 h THR 131 Cb 0.13 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1pn5 h THR 131 CO -0.02 0.23 0.14 -0.50 0.37 0.00 0.00 175.52 175.73 1pn5 h TRP 132 N 0.90 0.84 -0.04 3.16 -0.00 -1.04 -1.16 115.95 118.60 1pn5 h TRP 132 Ca 0.23 -0.07 -0.24 0.00 -0.00 0.00 0.00 58.89 58.80 1pn5 h TRP 132 Cb 0.06 -0.25 0.01 0.00 -0.00 0.00 0.00 29.16 28.98 1pn5 h TRP 132 CO 0.01 0.70 -0.94 1.49 -0.00 0.00 0.00 178.44 179.70 1pn5 h GLU 133 N 0.79 0.63 -0.59 0.49 4.81 -1.14 -1.76 114.58 117.80 1pn5 h GLU 133 Ca 0.18 -0.62 0.10 0.00 -0.13 0.00 0.00 59.36 58.88 1pn5 h GLU 133 Cb 0.28 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 1pn5 h GLU 133 CO -0.00 1.23 0.18 1.96 -0.73 0.00 0.00 179.01 181.65 1pn5 h GLN 134 N 0.38 0.33 0.00 1.92 1.08 -0.74 -1.43 115.11 116.64 1pn5 h GLN 134 Ca -0.09 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1pn5 h GLN 134 Cb 1.58 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.93 1pn5 h GLN 134 CO 0.18 0.22 0.00 0.52 -0.95 0.00 0.00 178.83 178.80 1pn5 h MET 135 N 0.34 0.00 -2.01 1.46 2.86 -1.26 -3.48 114.93 112.85 1pn5 h MET 135 Ca 0.30 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.87 1pn5 h MET 135 Cb 0.39 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.08 1pn5 h MET 135 CO -0.33 0.00 -0.13 0.41 1.06 0.00 0.00 176.91 177.92 1pn5 n GLY 136 N 0.88 0.62 3.20 8.32 0.00 -0.54 -5.02 105.19 112.65 1pn5 n GLY 136 Ca 0.04 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pn5 s LEU 137 N -2.25 5.88 0.17 0.99 2.01 -0.69 -4.91 118.68 119.87 1pn5 s LEU 137 Ca 0.09 -3.53 -0.14 0.00 0.01 0.00 0.00 54.13 50.56 1pn5 s LEU 137 Cb -0.04 -2.02 0.06 0.00 0.01 0.00 0.00 46.19 44.19 1pn5 s LEU 137 CO 0.13 -0.26 1.77 -0.09 1.01 0.00 0.00 176.35 178.91 1pn5 h ARG 138 N 6.44 0.75 0.00 1.70 2.43 -1.96 -2.55 114.38 121.19 1pn5 h ARG 138 Ca 0.15 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1pn5 h ARG 138 Cb 0.86 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1pn5 h ARG 138 CO 0.89 0.59 0.00 -1.13 -1.51 0.00 0.00 179.97 178.80 1pn5 n SER 139 N -4.62 0.00 -0.08 -3.80 3.41 -1.26 -0.75 113.62 106.52 1pn5 n SER 139 Ca 0.03 -0.17 -0.17 0.00 -0.26 0.00 0.00 58.87 58.30 1pn5 n SER 139 Cb 0.09 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 1pn5 n SER 139 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pn5 n LEU 140 N -0.96 1.50 -0.17 1.04 7.99 -0.99 -4.52 117.00 120.89 1pn5 n LEU 140 Ca 0.04 0.25 -0.02 0.00 -0.01 0.00 0.00 56.01 56.27 1pn5 n LEU 140 Cb 0.02 -0.60 0.08 0.00 -0.11 0.00 0.00 43.42 42.80 1pn5 n LEU 140 CO 0.03 0.15 0.91 0.00 -1.51 0.00 0.00 177.39 176.96 1pn5 h ALA 142 N 1.41 -0.87 0.00 0.00 0.00 -1.22 -2.10 119.26 116.48 1pn5 h ALA 142 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pn5 h ALA 142 Cb 0.37 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1pn5 h ALA 142 CO -0.35 -0.88 0.20 1.96 0.00 0.00 0.00 179.25 180.19 1pn5 h GLN 143 N -0.30 0.00 0.00 0.00 7.50 -1.78 -1.68 115.11 118.85 1pn5 h GLN 143 Ca -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1pn5 h GLN 143 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 1pn5 h GLN 143 CO -0.02 0.00 -0.07 0.00 -1.50 0.00 0.00 178.83 177.24 1pn5 h ALA 144 N 1.58 1.02 0.00 3.87 0.00 -0.09 -3.02 119.26 122.62 1pn5 h ALA 144 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pn5 h ALA 144 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pn5 h ALA 144 CO 0.00 0.09 -0.01 1.04 0.00 0.00 0.00 179.25 180.37 1pn5 n GLN 145 N -3.21 2.10 -0.18 0.00 3.00 -0.66 -4.71 117.38 113.72 1pn5 n GLN 145 Ca 0.00 -1.28 0.06 0.00 -0.01 0.00 0.00 57.00 55.77 1pn5 n GLN 145 Cb 0.33 -0.88 0.14 0.00 0.00 0.00 0.00 30.24 29.83 1pn5 n GLN 145 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1pn5 n GLU 146 N -0.40 2.54 -2.67 -1.09 1.02 -1.03 -5.01 120.64 113.99 1pn5 n GLU 146 Ca 0.01 -2.25 -0.08 0.00 -0.02 0.00 0.00 57.16 54.82 1pn5 n GLU 146 Cb 0.34 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 1pn5 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pn5 n GLY 147 N -0.47 0.12 0.00 0.62 0.00 -1.21 -4.95 105.19 99.30 1pn5 n GLY 147 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.52 0.00 0.00 4.61 0.00 -1.15 -5.09 120.51 116.37 1pn5 n ALA 148 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1pn5 n ALA 148 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 4.95 -0.14 0.00 0.00 0.00 -1.26 -5.05 105.19 103.70 1pn5 n GLY 149 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1pn5 n GLY 149 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pn5 n HIS 150 N 9.00 0.00 -1.48 1.61 -0.00 -1.26 -4.96 115.22 118.13 1pn5 n HIS 150 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pn5 n HIS 150 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1pn5 n HIS 150 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67