#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5l s SER 2 N 0.00 -0.28 0.08 1.61 1.04 -1.26 -5.16 113.70 109.73 1v5l s SER 2 Ca 0.00 0.12 -0.23 0.00 0.48 0.00 0.00 55.95 56.32 1v5l s SER 2 Cb 0.00 0.27 -0.07 0.00 0.10 0.00 0.00 66.02 66.33 1v5l s SER 2 CO 0.00 -0.39 0.68 -0.94 0.98 0.00 0.00 173.24 173.56 1v5l s SER 3 N -1.90 7.17 0.00 7.02 1.04 -1.26 -4.98 113.70 120.80 1v5l s SER 3 Ca 0.04 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.87 1v5l s SER 3 Cb -0.01 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1v5l s SER 3 CO -0.05 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1v5l n GLY 4 N 1.98 4.08 3.44 7.32 0.00 -1.26 -4.84 105.19 115.92 1v5l n GLY 4 Ca -0.07 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 1v5l n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5l s SER 5 N 0.00 2.30 -0.06 1.61 0.01 -0.87 -4.85 113.70 111.83 1v5l s SER 5 Ca 0.00 -1.56 -0.03 0.00 1.31 0.00 0.00 55.95 55.67 1v5l s SER 5 Cb 0.00 0.32 0.04 0.00 0.21 0.00 0.00 66.02 66.59 1v5l s SER 5 CO 0.00 -0.84 0.13 -0.44 0.41 0.00 0.00 173.24 172.50 1v5l s SER 6 N -3.51 0.36 -1.01 2.44 0.01 -1.26 -2.56 113.70 108.17 1v5l s SER 6 Ca 0.30 0.25 -0.13 0.00 1.31 0.00 0.00 55.95 57.68 1v5l s SER 6 Cb 0.05 0.15 0.21 0.00 0.21 0.00 0.00 66.02 66.63 1v5l s SER 6 CO 0.15 -0.19 1.08 -0.83 0.41 0.00 0.00 173.24 173.86 1v5l s GLY 7 N 1.68 2.63 0.37 3.44 0.00 -1.25 -5.03 107.32 109.15 1v5l s GLY 7 Ca -0.03 -3.37 -0.26 0.00 0.00 0.00 0.00 44.72 41.06 1v5l s GLY 7 CO -0.05 1.60 1.11 0.54 0.00 0.00 0.00 173.10 176.30 1v5l s ASN 8 N 2.36 6.80 -0.23 1.64 4.22 -1.26 -1.70 114.94 126.76 1v5l s ASN 8 Ca 0.30 2.21 -0.04 0.00 -2.14 0.00 0.00 52.86 53.19 1v5l s ASN 8 Cb -0.07 -2.61 0.10 0.00 1.28 0.00 0.00 41.25 39.94 1v5l s ASN 8 CO -0.07 -0.47 0.18 -0.69 -2.04 0.00 0.00 177.10 174.01 1v5l s VAL 9 N -1.44 -0.22 -0.30 3.54 1.01 0.66 -4.95 120.40 118.69 1v5l s VAL 9 Ca 0.54 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1v5l s VAL 9 Cb -0.28 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.36 1v5l s VAL 9 CO 0.35 -0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.36 1v5l s VAL 10 N 2.23 3.07 -0.03 2.92 1.01 -1.26 -0.16 120.40 128.17 1v5l s VAL 10 Ca 0.07 -1.35 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 1v5l s VAL 10 Cb -0.16 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1v5l s VAL 10 CO -0.22 -0.10 0.34 -0.76 0.00 0.00 0.00 175.10 174.36 1v5l s LEU 11 N 1.27 4.45 -0.15 3.92 1.43 -0.85 -4.95 118.68 123.79 1v5l s LEU 11 Ca -0.05 0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 53.59 1v5l s LEU 11 Cb -0.20 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1v5l s LEU 11 CO -0.01 0.33 1.56 -2.16 0.23 0.00 0.00 176.35 176.30 1v5l s PRO 12 N -0.99 4.03 0.00 1.29 0.04 -1.26 -2.59 135.00 135.52 1v5l s PRO 12 Ca 0.22 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1v5l s PRO 12 Cb -0.15 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1v5l s PRO 12 CO 0.11 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.55 1v5l n GLY 13 N 4.25 4.60 0.31 0.56 0.00 0.25 -4.87 105.19 110.29 1v5l n GLY 13 Ca 0.17 -2.06 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 1v5l n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5l n PRO 14 N -0.09 -1.21 -0.69 1.61 -0.04 -1.22 -4.82 135.00 128.54 1v5l n PRO 14 Ca 0.00 -0.15 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 1v5l n PRO 14 Cb 0.00 -0.14 0.22 0.00 -0.04 0.00 0.00 33.50 33.54 1v5l n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v5l s ALA 15 N -2.98 0.16 0.93 0.55 0.00 -1.26 -4.70 121.76 114.46 1v5l s ALA 15 Ca 0.06 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 1v5l s ALA 15 Cb -0.01 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 20.00 1v5l s ALA 15 CO 0.05 -3.44 1.09 -1.25 0.00 0.00 0.00 175.76 172.21 1v5l s PRO 16 N -4.58 0.99 -0.27 0.00 0.04 -1.26 -5.14 135.00 124.77 1v5l s PRO 16 Ca 0.67 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 1v5l s PRO 16 Cb -0.23 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 1v5l s PRO 16 CO 0.62 -2.40 -0.30 0.91 0.04 0.00 0.00 177.00 175.87 1v5l n TRP 17 N -3.98 0.05 0.00 0.56 7.02 -1.26 -4.94 117.44 114.90 1v5l n TRP 17 Ca 0.06 0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 1v5l n TRP 17 Cb 0.56 -1.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.44 1v5l n TRP 17 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1v5l n GLY 18 N 1.48 1.45 3.81 6.99 0.00 -1.26 -3.59 105.19 114.08 1v5l n GLY 18 Ca -0.52 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1v5l n GLY 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1v5l s PHE 19 N -2.04 3.27 0.49 1.61 -0.71 -1.26 -0.80 117.98 118.54 1v5l s PHE 19 Ca 0.00 0.11 0.05 0.00 -1.04 0.00 0.00 56.93 56.05 1v5l s PHE 19 Cb 0.00 -1.64 -0.00 0.00 -1.21 0.00 0.00 43.02 40.17 1v5l s PHE 19 CO 0.00 0.54 0.26 1.03 -1.34 0.00 0.00 175.22 175.71 1v5l s ARG 20 N -2.51 2.25 0.01 1.99 1.81 0.52 -4.98 118.95 118.04 1v5l s ARG 20 Ca 0.31 -2.01 0.02 0.00 -1.72 0.00 0.00 55.73 52.33 1v5l s ARG 20 Cb -0.12 -1.98 -0.01 0.00 -0.45 0.00 0.00 34.95 32.39 1v5l s ARG 20 CO 0.24 -0.40 -0.06 -0.48 -0.68 0.00 0.00 175.30 173.92 1v5l s LEU 21 N -4.09 2.07 -0.02 2.53 0.05 -1.26 -3.28 118.68 114.68 1v5l s LEU 21 Ca 0.32 -0.21 0.00 0.00 0.05 0.00 0.00 54.13 54.29 1v5l s LEU 21 Cb 0.00 -0.25 0.03 0.00 -2.05 0.00 0.00 46.19 43.92 1v5l s LEU 21 CO 0.19 -0.00 0.02 -0.55 -0.55 0.00 0.00 176.35 175.45 1v5l s SER 22 N -0.49 0.24 0.00 1.48 0.15 -0.58 -4.71 113.70 109.80 1v5l s SER 22 Ca -0.01 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1v5l s SER 22 Cb -0.04 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1v5l s SER 22 CO -0.00 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1v5l n GLY 23 N 4.17 0.46 0.00 9.45 0.00 -1.26 -0.59 105.19 117.42 1v5l n GLY 23 Ca -0.27 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1v5l n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5l n GLY 24 N 0.00 3.64 0.44 -0.02 0.00 0.20 -4.28 105.19 105.17 1v5l n GLY 24 Ca 0.00 -0.81 0.19 0.00 0.00 0.00 0.00 46.02 45.41 1v5l n GLY 24 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1v5l h ILE 25 N 0.00 0.08 0.01 -0.61 3.07 -1.66 1.11 117.51 119.51 1v5l h ILE 25 Ca 0.00 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 66.16 1v5l h ILE 25 Cb 0.00 0.21 0.02 0.00 -0.27 0.00 0.00 36.82 36.78 1v5l h ILE 25 CO 0.00 0.00 -1.00 -0.78 -1.05 0.00 0.00 178.15 175.32 1v5l h ASP 26 N 0.00 0.86 -0.16 2.16 1.82 -1.88 -3.13 116.42 116.08 1v5l h ASP 26 Ca 0.27 -0.75 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1v5l h ASP 26 Cb 2.10 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.85 1v5l h ASP 26 CO -0.00 1.50 0.00 0.49 -1.61 0.00 0.00 179.24 179.62 1v5l n PHE 27 N -3.90 0.33 -3.92 0.28 3.72 0.38 -4.87 117.46 109.47 1v5l n PHE 27 Ca -0.11 -0.14 -0.30 0.00 -0.05 0.00 0.00 57.45 56.85 1v5l n PHE 27 Cb 0.86 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 39.36 1v5l n PHE 27 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1v5l n ASN 28 N 0.06 -4.66 -3.79 4.37 4.13 -0.93 -4.90 115.26 109.54 1v5l n ASN 28 Ca 0.06 -0.79 -0.13 0.00 1.68 0.00 0.00 54.58 55.41 1v5l n ASN 28 Cb 0.26 -3.86 -0.12 0.00 -1.54 0.00 0.00 39.78 34.52 1v5l n ASN 28 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1v5l s GLN 29 N -6.61 0.27 0.34 3.52 -0.21 -1.17 -5.02 119.66 110.78 1v5l s GLN 29 Ca 0.64 0.34 -0.28 0.00 0.02 0.00 0.00 55.36 56.08 1v5l s GLN 29 Cb -0.32 0.12 -0.09 0.00 1.00 0.00 0.00 33.01 33.72 1v5l s GLN 29 CO 0.83 -0.04 1.21 -1.25 -2.12 0.00 0.00 175.29 173.93 1v5l s PRO 30 N 0.17 4.32 -0.29 2.91 0.04 -1.26 0.62 135.00 141.51 1v5l s PRO 30 Ca -0.00 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1v5l s PRO 30 Cb -0.02 -2.97 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 1v5l s PRO 30 CO -0.00 -0.14 1.50 -0.51 0.04 0.00 0.00 177.00 177.89 1v5l s LEU 31 N -1.94 3.79 -0.00 -3.56 1.43 -1.25 -4.30 118.68 112.84 1v5l s LEU 31 Ca 0.51 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.93 1v5l s LEU 31 Cb -0.35 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1v5l s LEU 31 CO 0.46 -1.28 -0.02 0.68 0.23 0.00 0.00 176.35 176.41 1v5l s VAL 32 N 5.17 0.22 0.10 -1.59 -7.23 0.25 -2.30 120.40 115.00 1v5l s VAL 32 Ca 0.66 -0.10 -0.35 0.00 -1.81 0.00 0.00 61.98 60.38 1v5l s VAL 32 Cb -0.20 -0.20 -0.18 0.00 0.56 0.00 0.00 36.38 36.36 1v5l s VAL 32 CO 0.28 0.07 0.94 -0.38 -0.31 0.00 0.00 175.10 175.70 1v5l n ILE 33 N 3.13 0.78 0.20 -0.62 5.41 -1.03 -1.52 119.36 125.71 1v5l n ILE 33 Ca -0.14 -0.20 0.02 0.00 1.00 0.00 0.00 62.75 63.44 1v5l n ILE 33 Cb 0.58 -0.22 -0.03 0.00 -0.71 0.00 0.00 39.64 39.27 1v5l n ILE 33 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1v5l n THR 34 N 1.09 0.00 -3.62 1.39 5.66 -1.20 -1.21 114.28 116.39 1v5l n THR 34 Ca 0.18 -0.34 -0.12 0.00 -3.05 0.00 0.00 64.05 60.72 1v5l n THR 34 Cb 0.17 0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 69.79 1v5l n THR 34 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1v5l s ARG 35 N -1.60 0.70 0.00 1.09 6.06 -1.26 -4.87 118.95 119.07 1v5l s ARG 35 Ca 0.01 0.65 0.04 0.00 -2.50 0.00 0.00 55.73 53.93 1v5l s ARG 35 Cb 0.04 0.34 -0.01 0.00 0.06 0.00 0.00 34.95 35.37 1v5l s ARG 35 CO 0.20 -0.12 -0.11 0.42 -2.50 0.00 0.00 175.30 173.20 1v5l s ILE 36 N -0.03 0.87 0.30 4.11 -1.09 -1.26 -0.35 121.20 123.74 1v5l s ILE 36 Ca -0.00 -0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 57.54 1v5l s ILE 36 Cb -0.04 -0.75 -0.10 0.00 -1.58 0.00 0.00 42.46 39.99 1v5l s ILE 36 CO -0.01 0.16 1.25 -0.89 -1.23 0.00 0.00 174.94 174.21 1v5l s THR 37 N -0.43 3.02 0.11 2.92 2.01 0.02 -4.89 115.64 118.40 1v5l s THR 37 Ca 0.03 0.99 -0.31 0.00 0.31 0.00 0.00 61.69 62.71 1v5l s THR 37 Cb -0.05 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1v5l s THR 37 CO -0.00 0.22 1.36 -2.16 -0.69 0.00 0.00 174.62 173.36 1v5l s PRO 38 N -1.42 4.33 -0.54 4.92 0.04 -1.26 -2.82 135.00 138.25 1v5l s PRO 38 Ca 0.49 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.53 1v5l s PRO 38 Cb -0.37 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1v5l s PRO 38 CO 0.47 -0.41 0.42 0.41 0.04 0.00 0.00 177.00 177.93 1v5l n GLY 39 N 3.45 -0.77 1.90 0.56 0.00 -1.26 -4.92 105.19 104.14 1v5l n GLY 39 Ca 0.11 0.47 -0.06 0.00 0.00 0.00 0.00 46.02 46.54 1v5l n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v5l n SER 40 N -1.43 -0.99 0.28 1.61 3.41 -1.26 -4.91 113.62 110.34 1v5l n SER 40 Ca -0.21 -1.92 0.12 0.00 -0.26 0.00 0.00 58.87 56.60 1v5l n SER 40 Cb 0.48 1.72 0.62 0.00 -0.26 0.00 0.00 64.21 66.77 1v5l n SER 40 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1v5l h LYS 41 N 0.00 0.00 0.00 4.33 1.57 -1.91 0.63 116.57 121.19 1v5l h LYS 41 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1v5l h LYS 41 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1v5l h LYS 41 CO 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 1v5l n ALA 42 N -1.76 0.00 -0.25 3.86 0.00 -1.24 -3.68 120.51 117.45 1v5l n ALA 42 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1v5l n ALA 42 Cb 0.40 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.91 1v5l n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5l h ALA 43 N -2.00 0.88 -0.00 0.00 0.00 -1.34 -1.25 119.26 115.55 1v5l h ALA 43 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1v5l h ALA 43 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1v5l h ALA 43 CO 0.00 0.33 0.13 0.00 0.00 0.00 0.00 179.25 179.70 1v5l h ALA 44 N 1.24 1.14 -0.35 0.00 0.00 0.04 0.24 119.26 121.57 1v5l h ALA 44 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1v5l h ALA 44 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1v5l h ALA 44 CO -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1v5l n ALA 45 N -2.02 2.96 -3.03 0.00 0.00 -0.48 -4.88 120.51 113.06 1v5l n ALA 45 Ca -0.03 -0.92 -0.17 0.00 0.00 0.00 0.00 53.44 52.33 1v5l n ALA 45 Cb 0.19 -1.03 0.04 0.00 0.00 0.00 0.00 19.45 18.65 1v5l n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1v5l n ASN 46 N 0.47 -4.99 -4.87 0.00 4.13 0.83 -4.97 115.26 105.85 1v5l n ASN 46 Ca 0.15 -0.29 -0.36 0.00 1.68 0.00 0.00 54.58 55.75 1v5l n ASN 46 Cb 0.61 -3.73 -0.06 0.00 -1.54 0.00 0.00 39.78 35.07 1v5l n ASN 46 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1v5l s LEU 47 N -5.21 4.40 -0.08 3.41 1.43 -1.17 -5.05 118.68 116.42 1v5l s LEU 47 Ca 0.32 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 1v5l s LEU 47 Cb -0.14 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.67 1v5l s LEU 47 CO 0.39 0.33 0.28 0.00 0.23 0.00 0.00 176.35 177.57 1v5l s PRO 49 N -0.33 2.59 0.00 0.00 0.04 -1.26 -3.12 135.00 132.91 1v5l s PRO 49 Ca -0.05 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.17 1v5l s PRO 49 Cb -0.03 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1v5l s PRO 49 CO 0.01 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.42 1v5l n GLY 50 N 6.25 0.09 3.81 0.56 0.00 -0.35 -4.83 105.19 110.72 1v5l n GLY 50 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.00 1v5l n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v5l s ASP 51 N 0.00 5.42 -0.05 1.61 1.01 -1.18 -4.79 116.67 118.69 1v5l s ASP 51 Ca 0.00 1.72 -0.03 0.00 0.71 0.00 0.00 52.55 54.96 1v5l s ASP 51 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1v5l s ASP 51 CO 0.00 -1.41 0.11 -0.69 0.21 0.00 0.00 175.17 173.38 1v5l s VAL 52 N -2.79 5.03 -0.77 -1.27 1.01 -1.26 -2.48 120.40 117.87 1v5l s VAL 52 Ca 0.61 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 1v5l s VAL 52 Cb -0.15 -3.26 0.20 0.00 0.00 0.00 0.00 36.38 33.17 1v5l s VAL 52 CO 0.48 0.45 0.72 -0.63 0.00 0.00 0.00 175.10 176.13 1v5l s ILE 53 N -1.13 5.49 0.31 2.22 -1.09 -0.98 -3.25 121.20 122.78 1v5l s ILE 53 Ca 0.20 -2.22 0.04 0.00 -2.23 0.00 0.00 60.65 56.44 1v5l s ILE 53 Cb -0.12 -4.45 0.30 0.00 -1.58 0.00 0.00 42.46 36.61 1v5l s ILE 53 CO 0.11 -1.01 1.87 -0.07 -1.23 0.00 0.00 174.94 174.60 1v5l h LEU 54 N 8.12 0.82 -7.56 2.97 3.38 -1.39 -3.42 115.31 118.23 1v5l h LEU 54 Ca 0.02 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1v5l h LEU 54 Cb 1.05 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 41.49 1v5l h LEU 54 CO 0.83 0.45 -0.27 0.00 0.09 0.00 0.00 178.44 179.54 1v5l s ALA 55 N -5.84 -0.68 -0.21 1.53 0.00 -1.25 -2.58 121.76 112.73 1v5l s ALA 55 Ca -0.11 0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1v5l s ALA 55 Cb 0.22 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.61 1v5l s ALA 55 CO 0.80 -0.35 -0.09 0.42 0.00 0.00 0.00 175.76 176.53 1v5l s ILE 56 N -2.12 1.66 -1.46 0.00 1.01 -0.04 -2.55 121.20 117.70 1v5l s ILE 56 Ca -0.08 -1.10 -0.10 0.00 0.00 0.00 0.00 60.65 59.37 1v5l s ILE 56 Cb -0.02 -1.78 0.06 0.00 0.01 0.00 0.00 42.46 40.73 1v5l s ILE 56 CO -0.01 0.10 0.95 -0.67 0.00 0.00 0.00 174.94 175.32 1v5l n ASP 57 N 4.66 -4.23 -1.12 3.58 2.03 0.24 -1.51 116.55 120.21 1v5l n ASP 57 Ca -0.14 -0.76 -0.07 0.00 0.52 0.00 0.00 54.79 54.34 1v5l n ASP 57 Cb 0.46 -4.08 0.01 0.00 -0.72 0.00 0.00 41.12 36.79 1v5l n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1v5l n GLY 58 N -1.70 0.24 2.63 0.27 0.00 -1.25 -4.97 105.19 100.41 1v5l n GLY 58 Ca -0.04 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 1v5l n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1v5l s PHE 59 N -2.68 0.47 0.30 1.61 0.08 -0.57 -5.12 117.98 112.07 1v5l s PHE 59 Ca 0.08 -0.59 -0.28 0.00 0.12 0.00 0.00 56.93 56.26 1v5l s PHE 59 Cb -0.04 -0.85 -0.14 0.00 -0.57 0.00 0.00 43.02 41.43 1v5l s PHE 59 CO 0.11 -0.60 1.11 0.41 -0.10 0.00 0.00 175.22 176.15 1v5l n GLY 60 N 5.20 0.04 1.86 4.36 0.00 -1.26 -0.86 105.19 114.53 1v5l n GLY 60 Ca -0.07 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1v5l n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1v5l n THR 61 N 0.40 2.57 0.20 2.61 -2.24 -1.07 -4.54 114.28 112.22 1v5l n THR 61 Ca 0.09 -1.39 -0.15 0.00 -2.27 0.00 0.00 64.05 60.33 1v5l n THR 61 Cb 0.33 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 67.98 1v5l n THR 61 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1v5l h GLU 62 N 1.51 -0.52 -0.25 -0.78 -0.00 -1.89 -3.21 114.58 109.44 1v5l h GLU 62 Ca 0.35 0.04 -0.16 0.00 -0.00 0.00 0.00 59.36 59.59 1v5l h GLU 62 Cb 2.24 0.12 -0.11 0.00 -0.00 0.00 0.00 28.75 30.99 1v5l h GLU 62 CO 0.73 -0.35 -0.42 0.43 -0.00 0.00 0.00 179.01 179.40 1v5l n SER 63 N -5.35 2.60 -4.58 3.06 7.64 -1.26 -4.93 113.62 110.79 1v5l n SER 63 Ca -0.10 -3.85 -0.41 0.00 1.01 0.00 0.00 58.87 55.52 1v5l n SER 63 Cb 0.26 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1v5l n SER 63 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1v5l s MET 64 N -3.32 3.79 0.61 1.43 0.00 -1.21 -4.99 119.30 115.59 1v5l s MET 64 Ca 0.43 0.14 -0.14 0.00 0.00 0.00 0.00 55.69 56.12 1v5l s MET 64 Cb 0.39 -3.76 -0.03 0.00 0.00 0.00 0.00 34.83 31.42 1v5l s MET 64 CO -0.03 -0.63 1.04 0.95 0.00 0.00 0.00 175.02 176.35 1v5l s THR 65 N 2.59 4.17 0.23 10.11 -4.23 -1.26 -3.58 115.64 123.68 1v5l s THR 65 Ca 0.24 0.89 -0.14 0.00 -1.18 0.00 0.00 61.69 61.49 1v5l s THR 65 Cb -0.15 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.44 1v5l s THR 65 CO 0.13 -0.74 1.58 -0.74 -0.54 0.00 0.00 174.62 174.30 1v5l h HIS 66 N 0.11 -0.69 0.24 3.99 2.76 -1.85 0.03 115.15 119.75 1v5l h HIS 66 Ca -0.46 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 57.78 1v5l h HIS 66 Cb 1.20 0.43 0.00 0.00 1.55 0.00 0.00 27.41 30.59 1v5l h HIS 66 CO 0.62 -0.38 -0.12 0.00 -1.30 0.00 0.00 177.93 176.75 1v5l h ALA 67 N 1.57 -0.33 -0.73 5.26 0.00 -1.92 -2.84 119.26 120.27 1v5l h ALA 67 Ca 0.36 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.32 1v5l h ALA 67 Cb 0.60 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 1v5l h ALA 67 CO -0.86 -0.65 -0.12 0.22 0.00 0.00 0.00 179.25 177.84 1v5l h ASP 68 N -0.39 -0.57 -0.38 0.00 1.82 -1.42 0.74 116.42 116.22 1v5l h ASP 68 Ca -0.03 0.21 0.07 0.00 -0.39 0.00 0.00 57.03 56.88 1v5l h ASP 68 Cb 0.30 0.41 -0.06 0.00 0.68 0.00 0.00 39.33 40.66 1v5l h ASP 68 CO 0.05 -0.22 0.02 0.00 -1.61 0.00 0.00 179.24 177.49 1v5l h ALA 69 N 1.71 0.37 -0.74 -0.78 0.00 -0.97 -0.95 119.26 117.90 1v5l h ALA 69 Ca 0.36 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.42 1v5l h ALA 69 Cb 0.58 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1v5l h ALA 69 CO -0.72 -0.37 0.48 1.96 0.00 0.00 0.00 179.25 180.60 1v5l h GLN 70 N 0.13 0.82 0.00 0.00 4.20 -0.67 0.15 115.11 119.74 1v5l h GLN 70 Ca 0.19 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1v5l h GLN 70 Cb 0.25 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1v5l h GLN 70 CO -0.29 0.54 0.00 -3.47 -0.67 0.00 0.00 178.83 174.94 1v5l n ASP 71 N -4.47 0.28 -0.05 1.46 -0.08 -0.45 -2.07 116.55 111.18 1v5l n ASP 71 Ca 0.10 0.55 -0.15 0.00 -1.51 0.00 0.00 54.79 53.78 1v5l n ASP 71 Cb 0.17 -0.62 -0.14 0.00 2.34 0.00 0.00 41.12 42.87 1v5l n ASP 71 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1v5l n ARG 72 N -1.79 0.69 0.05 -0.67 5.12 0.41 -3.40 116.66 117.07 1v5l n ARG 72 Ca 0.04 0.20 -0.16 0.00 -1.93 0.00 0.00 57.85 56.00 1v5l n ARG 72 Cb 0.27 -1.66 -0.06 0.00 -1.16 0.00 0.00 32.46 29.84 1v5l n ARG 72 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1v5l h ILE 73 N 0.02 1.35 -0.04 0.55 2.04 -1.12 -2.73 117.51 117.59 1v5l h ILE 73 Ca -0.44 -2.35 -0.15 0.00 1.00 0.00 0.00 64.86 62.92 1v5l h ILE 73 Cb 2.05 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 40.49 1v5l h ILE 73 CO 0.04 0.71 -0.67 0.07 0.00 0.00 0.00 178.15 178.31 1v5l h LYS 74 N 0.30 0.17 -0.63 2.37 2.10 -1.61 -2.92 116.57 116.35 1v5l h LYS 74 Ca -0.09 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1v5l h LYS 74 Cb 1.61 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 1v5l h LYS 74 CO 0.18 0.77 0.00 0.00 -2.00 0.00 0.00 179.45 178.40 1v5l n ALA 75 N -2.46 3.05 -0.73 0.07 0.00 -1.22 -4.95 120.51 114.28 1v5l n ALA 75 Ca -0.02 -1.15 -0.11 0.00 0.00 0.00 0.00 53.44 52.16 1v5l n ALA 75 Cb 0.66 -1.04 0.17 0.00 0.00 0.00 0.00 19.45 19.24 1v5l n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5l n ALA 76 N 0.64 -2.77 -2.50 0.00 0.00 -1.03 -5.00 120.51 109.85 1v5l n ALA 76 Ca 0.18 -0.96 -0.28 0.00 0.00 0.00 0.00 53.44 52.38 1v5l n ALA 76 Cb 0.72 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1v5l n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v5l s SER 77 N -2.92 4.49 0.53 0.00 0.15 -1.26 -4.96 113.70 109.74 1v5l s SER 77 Ca 0.42 -1.37 0.34 0.00 0.70 0.00 0.00 55.95 56.04 1v5l s SER 77 Cb -0.06 0.45 1.17 0.00 -1.71 0.00 0.00 66.02 65.87 1v5l s SER 77 CO 0.34 -1.03 1.29 0.00 1.20 0.00 0.00 173.24 175.04 1v5l n TYR 78 N -1.62 0.00 -3.76 3.44 0.18 -1.26 -3.74 117.16 110.41 1v5l n TYR 78 Ca -0.07 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.50 1v5l n TYR 78 Cb 0.65 -0.33 -0.18 0.00 -0.38 0.00 0.00 39.34 39.10 1v5l n TYR 78 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1v5l s GLN 79 N -4.44 0.38 -0.36 -3.48 -2.07 -1.26 0.87 119.66 109.31 1v5l s GLN 79 Ca -0.03 0.19 -0.21 0.00 -1.82 0.00 0.00 55.36 53.49 1v5l s GLN 79 Cb 0.18 -0.80 0.00 0.00 -1.09 0.00 0.00 33.01 31.31 1v5l s GLN 79 CO 0.60 -0.30 0.65 -1.17 -1.32 0.00 0.00 175.29 173.76 1v5l s LEU 80 N 1.96 4.24 -0.26 2.60 2.96 -1.07 -4.94 118.68 124.17 1v5l s LEU 80 Ca 0.04 0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.99 1v5l s LEU 80 Cb -0.12 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.71 1v5l s LEU 80 CO -0.04 -0.61 0.27 0.00 -1.32 0.00 0.00 176.35 174.65 1v5l s LEU 82 N 1.68 2.18 0.07 0.00 1.43 0.78 0.82 118.68 125.64 1v5l s LEU 82 Ca 0.11 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1v5l s LEU 82 Cb -0.15 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.64 1v5l s LEU 82 CO 0.09 -0.05 -0.10 -0.75 0.23 0.00 0.00 176.35 175.76 1v5l s LYS 83 N -1.18 2.22 0.13 1.70 2.20 -1.06 -0.24 119.74 123.51 1v5l s LYS 83 Ca -0.03 -0.95 0.10 0.00 -0.36 0.00 0.00 55.97 54.73 1v5l s LYS 83 Cb -0.08 -2.33 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 1v5l s LYS 83 CO 0.01 0.53 -0.24 0.96 -0.36 0.00 0.00 175.35 176.25 1v5l s ILE 84 N -1.12 2.07 -0.09 5.43 -4.36 -0.69 -0.99 121.20 121.44 1v5l s ILE 84 Ca 0.19 -1.74 0.15 0.00 -0.26 0.00 0.00 60.65 59.00 1v5l s ILE 84 Cb -0.11 -1.86 -0.19 0.00 1.25 0.00 0.00 42.46 41.54 1v5l s ILE 84 CO 0.11 -0.01 0.68 -0.67 0.24 0.00 0.00 174.94 175.28 1v5l n ASP 85 N 0.84 0.77 -3.63 4.36 -0.08 -1.20 -3.83 116.55 113.78 1v5l n ASP 85 Ca -0.17 0.35 -0.23 0.00 -1.51 0.00 0.00 54.79 53.23 1v5l n ASP 85 Cb 0.54 0.19 0.04 0.00 2.34 0.00 0.00 41.12 44.23 1v5l n ASP 85 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1v5l n ARG 86 N -2.93 -3.63 -1.44 -0.67 5.12 -1.26 -3.34 116.66 108.52 1v5l n ARG 86 Ca -0.15 0.62 -0.47 0.00 -1.93 0.00 0.00 57.85 55.93 1v5l n ARG 86 Cb 0.95 -5.03 -0.11 0.00 -1.16 0.00 0.00 32.46 27.11 1v5l n ARG 86 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1v5l n ALA 87 N -4.09 0.51 -0.35 7.54 0.00 -1.26 -4.47 120.51 118.40 1v5l n ALA 87 Ca -0.22 -0.22 0.17 0.00 0.00 0.00 0.00 53.44 53.17 1v5l n ALA 87 Cb 0.65 -2.42 0.39 0.00 0.00 0.00 0.00 19.45 18.06 1v5l n ALA 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1v5l h GLU 88 N 12.49 0.58 -0.66 0.00 4.11 -1.84 0.44 114.58 129.70 1v5l h GLU 88 Ca -0.13 -0.03 0.19 0.00 0.07 0.00 0.00 59.36 59.45 1v5l h GLU 88 Cb 1.33 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1v5l h GLU 88 CO 1.21 0.38 0.55 1.15 0.07 0.00 0.00 179.01 182.37 1v5l h THR 89 N 0.59 0.48 -0.06 -1.06 2.02 -1.87 0.31 112.91 113.32 1v5l h THR 89 Ca 0.64 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.83 1v5l h THR 89 Cb 1.20 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1v5l h THR 89 CO -0.46 0.00 0.06 0.03 0.37 0.00 0.00 175.52 175.53 1v5l h ARG 90 N 0.00 0.00 -2.34 6.66 2.47 -0.46 -3.42 114.38 117.30 1v5l h ARG 90 Ca 0.31 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.97 1v5l h ARG 90 Cb 1.41 0.00 -0.23 0.00 -1.65 0.00 0.00 29.97 29.49 1v5l h ARG 90 CO -0.00 0.00 -0.11 -0.51 0.56 0.00 0.00 179.97 179.91 1v5l s LEU 91 N -7.97 -0.40 -0.84 3.04 1.43 0.11 -5.08 118.68 108.98 1v5l s LEU 91 Ca -0.05 1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 54.02 1v5l s LEU 91 Cb 0.16 1.89 -0.21 0.00 0.03 0.00 0.00 46.19 48.06 1v5l s LEU 91 CO 0.58 -0.21 2.37 1.87 0.23 0.00 0.00 176.35 181.19 1v5l n TRP 92 N 3.77 0.75 -3.64 0.29 -0.00 -1.26 -4.80 117.44 112.55 1v5l n TRP 92 Ca -0.19 0.06 -0.10 0.00 -0.00 0.00 0.00 57.50 57.28 1v5l n TRP 92 Cb 0.57 -1.90 -0.07 0.00 -0.00 0.00 0.00 31.31 29.91 1v5l n TRP 92 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1v5l s SER 93 N 7.32 -0.87 0.05 5.87 1.04 -1.26 -5.02 113.70 120.82 1v5l s SER 93 Ca 1.12 1.49 0.16 0.00 0.48 0.00 0.00 55.95 59.19 1v5l s SER 93 Cb -0.52 1.42 0.67 0.00 0.10 0.00 0.00 66.02 67.69 1v5l s SER 93 CO 0.32 -0.24 1.50 -0.81 0.98 0.00 0.00 173.24 174.99 1v5l n PRO 94 N 3.69 0.04 -2.56 4.02 -0.04 -1.26 -4.77 135.00 134.11 1v5l n PRO 94 Ca -0.18 0.29 -0.36 0.00 -0.04 0.00 0.00 63.50 63.21 1v5l n PRO 94 Cb 0.57 -1.57 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1v5l n PRO 94 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1v5l s GLN 95 N -3.06 4.19 -0.29 0.54 2.00 -1.26 -5.05 119.66 116.74 1v5l s GLN 95 Ca 0.06 1.49 -0.20 0.00 -2.00 0.00 0.00 55.36 54.71 1v5l s GLN 95 Cb 0.09 -2.55 0.16 0.00 0.80 0.00 0.00 33.01 31.51 1v5l s GLN 95 CO 0.28 -0.11 1.11 0.54 -0.50 0.00 0.00 175.29 176.61 1v5l s VAL 96 N -1.67 0.00 -0.48 1.34 0.11 -1.26 -4.34 120.40 114.11 1v5l s VAL 96 Ca 0.57 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.46 1v5l s VAL 96 Cb -0.22 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.70 1v5l s VAL 96 CO 0.27 0.00 0.45 -0.44 -3.33 0.00 0.00 175.10 172.05 1v5l s SER 97 N 0.73 6.17 0.08 3.54 0.01 -1.21 -4.22 113.70 118.80 1v5l s SER 97 Ca -0.02 -1.19 0.02 0.00 1.31 0.00 0.00 55.95 56.07 1v5l s SER 97 Cb -0.04 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1v5l s SER 97 CO -0.12 -0.70 -0.07 -0.55 0.41 0.00 0.00 173.24 172.22 1v5l s SER 98 N 2.56 1.01 0.00 2.44 0.15 -1.06 -4.74 113.70 114.06 1v5l s SER 98 Ca 0.07 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.87 1v5l s SER 98 Cb -0.23 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1v5l s SER 98 CO 0.08 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1v5l n GLY 99 N 0.48 1.74 0.27 9.45 0.00 -1.26 -2.05 105.19 113.82 1v5l n GLY 99 Ca -0.16 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 45.96 1v5l n GLY 99 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5l h PRO 100 N 0.00 0.00 -6.24 1.61 0.13 -1.99 -3.43 132.00 122.08 1v5l h PRO 100 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1v5l h PRO 100 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1v5l h PRO 100 CO 0.00 0.00 0.14 -1.12 -0.23 0.00 0.00 178.00 176.79 1v5l s SER 101 N -5.58 7.16 -0.45 1.44 0.01 -1.26 -5.03 113.70 110.00 1v5l s SER 101 Ca 0.01 1.39 0.02 0.00 1.31 0.00 0.00 55.95 58.68 1v5l s SER 101 Cb 0.09 -2.45 0.15 0.00 0.21 0.00 0.00 66.02 64.02 1v5l s SER 101 CO 0.53 0.00 0.29 -0.55 0.41 0.00 0.00 173.24 173.92 1v5l s SER 102 N 0.07 3.09 0.00 2.44 0.15 -1.26 -4.93 113.70 113.25 1v5l s SER 102 Ca 0.38 -2.80 0.00 0.00 0.70 0.00 0.00 55.95 54.23 1v5l s SER 102 Cb -0.20 -0.82 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 1v5l s SER 102 CO 0.22 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.04