#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5l n SER 2 N 0.00 0.91 -4.40 1.61 7.64 -1.26 -4.99 113.62 113.13 1v5l n SER 2 Ca 0.00 0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.64 1v5l n SER 2 Cb 0.00 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.76 1v5l n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1v5l n SER 3 N -3.58 -2.09 -3.37 6.43 3.41 -1.26 -4.81 113.62 108.34 1v5l n SER 3 Ca -0.24 -1.13 -0.40 0.00 -0.26 0.00 0.00 58.87 56.83 1v5l n SER 3 Cb 0.66 -1.80 0.02 0.00 -0.26 0.00 0.00 64.21 62.83 1v5l n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v5l n GLY 4 N -1.10 5.86 3.34 5.00 0.00 -1.26 -4.71 105.19 112.33 1v5l n GLY 4 Ca 0.11 -2.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 1v5l n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v5l n SER 5 N -0.10 4.82 -4.76 1.61 7.64 -1.26 -4.95 113.62 116.62 1v5l n SER 5 Ca 0.50 -2.93 -0.22 0.00 1.01 0.00 0.00 58.87 57.22 1v5l n SER 5 Cb 0.26 -1.67 -0.05 0.00 -1.01 0.00 0.00 64.21 61.73 1v5l n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v5l s SER 6 N 3.46 5.04 -0.17 6.43 0.01 -1.26 -4.72 113.70 122.49 1v5l s SER 6 Ca 0.49 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 1v5l s SER 6 Cb 0.05 -1.05 0.05 0.00 0.21 0.00 0.00 66.02 65.27 1v5l s SER 6 CO 0.03 -0.12 -0.03 -0.83 0.41 0.00 0.00 173.24 172.70 1v5l s GLY 7 N -3.81 0.89 0.25 3.44 0.00 0.17 -4.96 107.32 103.29 1v5l s GLY 7 Ca 0.34 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 43.98 1v5l s GLY 7 CO 0.23 1.07 0.93 0.54 0.00 0.00 0.00 173.10 175.87 1v5l s ASN 8 N 1.69 7.59 -0.21 1.64 6.03 -1.26 -0.16 114.94 130.25 1v5l s ASN 8 Ca -0.00 1.91 -0.04 0.00 -1.03 0.00 0.00 52.86 53.70 1v5l s ASN 8 Cb -0.16 -2.60 0.09 0.00 -3.03 0.00 0.00 41.25 35.56 1v5l s ASN 8 CO -0.07 0.13 0.21 -0.69 -2.03 0.00 0.00 177.10 174.65 1v5l s VAL 9 N -1.24 -0.30 -0.33 3.54 1.01 -0.73 -4.95 120.40 117.40 1v5l s VAL 9 Ca 0.42 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1v5l s VAL 9 Cb -0.25 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.44 1v5l s VAL 9 CO 0.30 -0.26 0.15 -0.69 0.00 0.00 0.00 175.10 174.60 1v5l s VAL 10 N 2.30 4.35 -0.14 2.92 1.01 -1.26 -1.24 120.40 128.35 1v5l s VAL 10 Ca 0.07 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1v5l s VAL 10 Cb -0.16 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1v5l s VAL 10 CO -0.15 -0.05 0.10 -0.76 0.00 0.00 0.00 175.10 174.24 1v5l s LEU 11 N 1.54 4.11 0.31 3.92 1.43 0.29 -4.92 118.68 125.36 1v5l s LEU 11 Ca 0.03 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1v5l s LEU 11 Cb -0.18 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.93 1v5l s LEU 11 CO 0.05 0.32 1.23 -2.16 0.23 0.00 0.00 176.35 176.02 1v5l s PRO 12 N -0.48 4.46 0.00 1.29 0.04 -1.26 -0.54 135.00 138.51 1v5l s PRO 12 Ca 0.11 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1v5l s PRO 12 Cb -0.12 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1v5l s PRO 12 CO 0.02 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1v5l n GLY 13 N 0.98 6.22 0.00 0.56 0.00 0.16 -4.83 105.19 108.27 1v5l n GLY 13 Ca -0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 -0.50 -0.99 1.61 -0.04 -1.26 -4.87 135.00 128.96 1v5l n PRO 14 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1v5l n PRO 14 Cb 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.59 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 -2.97 1.85 1.01 0.55 0.00 -1.26 -4.60 121.76 116.33 1v5l s ALA 15 Ca 0.00 0.48 -0.12 0.00 0.00 0.00 0.00 51.96 52.32 1v5l s ALA 15 Cb 0.00 -3.38 0.20 0.00 0.00 0.00 0.00 23.12 19.94 1v5l s ALA 15 CO 0.00 -2.28 1.09 -1.25 0.00 0.00 0.00 175.76 173.32 1v5l s PRO 16 N -4.69 0.33 -0.17 0.00 0.04 -1.26 -5.13 135.00 124.11 1v5l s PRO 16 Ca 0.65 0.49 0.07 0.00 0.04 0.00 0.00 61.00 62.26 1v5l s PRO 16 Cb -0.21 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.45 1v5l s PRO 16 CO 0.56 -2.80 -0.06 0.91 0.04 0.00 0.00 177.00 175.65 1v5l n TRP 17 N -4.22 0.00 0.00 0.56 7.02 -1.26 -4.88 117.44 114.66 1v5l n TRP 17 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.53 1v5l n TRP 17 Cb 0.57 -0.75 0.00 0.00 -2.42 0.00 0.00 31.31 28.72 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 2.32 0.77 3.44 6.99 0.00 -1.26 -3.43 105.19 114.02 1v5l n GLY 18 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 2.40 0.49 1.61 -0.71 -1.26 -1.68 117.98 116.83 1v5l s PHE 19 Ca 0.00 -0.33 0.07 0.00 -1.04 0.00 0.00 56.93 55.63 1v5l s PHE 19 Cb 0.00 -1.26 0.01 0.00 -1.21 0.00 0.00 43.02 40.57 1v5l s PHE 19 CO 0.00 0.40 0.40 1.03 -1.34 0.00 0.00 175.22 175.71 1v5l s ARG 20 N -2.28 2.34 0.04 1.99 1.81 -0.74 -4.99 118.95 117.14 1v5l s ARG 20 Ca 0.17 -1.82 0.01 0.00 -1.72 0.00 0.00 55.73 52.38 1v5l s ARG 20 Cb -0.10 -2.21 -0.03 0.00 -0.45 0.00 0.00 34.95 32.17 1v5l s ARG 20 CO 0.09 -0.45 -0.06 -0.48 -0.68 0.00 0.00 175.30 173.72 1v5l s LEU 21 N -4.22 2.28 0.05 2.53 0.05 -1.26 -3.23 118.68 114.88 1v5l s LEU 21 Ca 0.41 -0.59 -0.16 0.00 0.05 0.00 0.00 54.13 53.84 1v5l s LEU 21 Cb -0.02 -0.06 0.03 0.00 -2.05 0.00 0.00 46.19 44.08 1v5l s LEU 21 CO 0.25 -0.27 0.36 -0.55 -0.55 0.00 0.00 176.35 175.58 1v5l s SER 22 N -1.73 -0.20 0.00 1.48 0.15 0.29 -4.51 113.70 109.18 1v5l s SER 22 Ca -0.09 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1v5l s SER 22 Cb -0.08 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1v5l s SER 22 CO -0.01 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1v5l n GLY 23 N 0.47 -1.00 0.00 9.45 0.00 -1.26 -0.96 105.19 111.88 1v5l n GLY 23 Ca -0.18 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 4.32 0.29 -0.02 0.00 0.97 -4.43 105.19 106.30 1v5l n GLY 24 Ca 0.00 -0.92 0.19 0.00 0.00 0.00 0.00 46.02 45.30 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 4.28 0.00 0.09 -0.61 3.07 -1.76 -0.98 117.51 121.60 1v5l h ILE 25 Ca 0.00 -0.05 -0.29 0.00 1.55 0.00 0.00 64.86 66.08 1v5l h ILE 25 Cb 0.00 0.91 -0.01 0.00 -0.27 0.00 0.00 36.82 37.45 1v5l h ILE 25 CO 0.00 0.00 -1.44 -0.78 -1.05 0.00 0.00 178.15 174.88 1v5l h ASP 26 N 0.00 0.31 -0.32 2.16 3.58 -1.90 -3.27 116.42 116.97 1v5l h ASP 26 Ca 0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1v5l h ASP 26 Cb 0.05 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1v5l h ASP 26 CO 0.00 1.34 0.00 0.49 -2.88 0.00 0.00 179.24 178.19 1v5l n PHE 27 N -3.42 0.55 -3.56 0.28 3.01 -0.48 -4.89 117.46 108.96 1v5l n PHE 27 Ca -0.13 -0.25 -0.25 0.00 1.01 0.00 0.00 57.45 57.84 1v5l n PHE 27 Cb 1.03 -0.06 0.07 0.00 -0.01 0.00 0.00 39.48 40.51 1v5l n PHE 27 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1v5l n ASN 28 N 0.44 -6.14 -3.82 4.37 4.13 -0.97 -4.88 115.26 108.40 1v5l n ASN 28 Ca 0.12 -0.53 -0.12 0.00 1.68 0.00 0.00 54.58 55.72 1v5l n ASN 28 Cb 0.36 -4.85 -0.10 0.00 -1.54 0.00 0.00 39.78 33.65 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 -6.27 0.45 0.35 3.52 -1.52 -0.56 -5.00 119.66 110.63 1v5l s GLN 29 Ca 0.56 -0.09 -0.27 0.00 -1.95 0.00 0.00 55.36 53.61 1v5l s GLN 29 Cb -0.25 0.20 -0.09 0.00 -0.22 0.00 0.00 33.01 32.64 1v5l s GLN 29 CO 0.69 -0.10 1.21 -1.25 -0.25 0.00 0.00 175.29 175.59 1v5l s PRO 30 N -0.82 4.29 -0.59 2.91 0.04 -1.26 -0.02 135.00 139.54 1v5l s PRO 30 Ca -0.09 1.99 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 1v5l s PRO 30 Cb -0.05 -2.94 -0.00 0.00 0.04 0.00 0.00 34.50 31.55 1v5l s PRO 30 CO 0.02 -0.16 1.66 -0.51 0.04 0.00 0.00 177.00 178.04 1v5l s LEU 31 N -2.01 3.32 0.28 -3.56 1.43 -1.26 -4.18 118.68 112.70 1v5l s LEU 31 Ca 0.51 0.29 0.12 0.00 -1.03 0.00 0.00 54.13 54.03 1v5l s LEU 31 Cb -0.35 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.08 1v5l s LEU 31 CO 0.45 -2.08 -0.20 0.68 0.23 0.00 0.00 176.35 175.43 1v5l s VAL 32 N 7.66 2.46 0.34 -1.59 -7.23 -0.13 -0.12 120.40 121.78 1v5l s VAL 32 Ca 0.60 -2.39 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 1v5l s VAL 32 Cb -0.12 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.43 1v5l s VAL 32 CO 0.22 -0.39 1.18 -0.63 -0.31 0.00 0.00 175.10 175.16 1v5l s ILE 33 N -2.49 3.17 -0.14 -0.62 1.01 -1.15 0.11 121.20 121.09 1v5l s ILE 33 Ca 0.30 1.11 -0.02 0.00 0.00 0.00 0.00 60.65 62.03 1v5l s ILE 33 Cb -0.05 -3.67 -0.24 0.00 0.01 0.00 0.00 42.46 38.50 1v5l s ILE 33 CO 0.15 0.21 0.29 0.35 0.00 0.00 0.00 174.94 175.94 1v5l n THR 34 N 0.68 1.70 -3.50 2.92 -2.24 -1.20 -2.57 114.28 110.07 1v5l n THR 34 Ca 0.01 -0.67 -0.16 0.00 -2.27 0.00 0.00 64.05 60.97 1v5l n THR 34 Cb 0.45 -1.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 1v5l n THR 34 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1v5l s ARG 35 N -2.55 1.11 -0.02 -0.78 6.06 -1.26 -4.77 118.95 116.73 1v5l s ARG 35 Ca -0.22 0.01 0.05 0.00 -2.50 0.00 0.00 55.73 53.07 1v5l s ARG 35 Cb 0.07 0.52 -0.01 0.00 0.06 0.00 0.00 34.95 35.59 1v5l s ARG 35 CO 0.75 -0.39 -0.18 0.42 -2.50 0.00 0.00 175.30 173.40 1v5l s ILE 36 N -2.01 1.41 -0.39 4.11 -1.09 -1.26 -1.78 121.20 120.19 1v5l s ILE 36 Ca -0.07 -0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 57.32 1v5l s ILE 36 Cb -0.00 -1.18 0.02 0.00 -1.58 0.00 0.00 42.46 39.71 1v5l s ILE 36 CO 0.03 0.40 1.22 -0.89 -1.23 0.00 0.00 174.94 174.46 1v5l s THR 37 N -0.27 4.20 -0.10 2.92 2.01 -0.68 -4.84 115.64 118.89 1v5l s THR 37 Ca 0.03 1.30 -0.29 0.00 0.31 0.00 0.00 61.69 63.04 1v5l s THR 37 Cb -0.08 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 1v5l s THR 37 CO 0.00 -0.71 1.52 -2.16 -0.69 0.00 0.00 174.62 172.58 1v5l s PRO 38 N 4.29 4.18 0.00 4.92 0.04 -1.26 -1.47 135.00 145.70 1v5l s PRO 38 Ca 0.52 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1v5l s PRO 38 Cb -0.12 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1v5l s PRO 38 CO 0.26 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1v5l n GLY 39 N 3.99 0.68 2.34 0.56 0.00 -1.26 -4.98 105.19 106.51 1v5l n GLY 39 Ca 0.16 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 0.07 -1.21 0.27 1.61 3.41 -1.21 -4.94 113.62 111.61 1v5l n SER 40 Ca 0.00 -2.14 0.17 0.00 -0.26 0.00 0.00 58.87 56.64 1v5l n SER 40 Cb 0.39 2.10 0.90 0.00 -0.26 0.00 0.00 64.21 67.34 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 -1.86 0.39 116.57 120.99 1v5l h LYS 41 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1v5l h LYS 41 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1v5l h LYS 41 CO 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.14 1v5l n ALA 42 N -1.91 0.00 -0.35 3.86 0.00 -1.22 -3.40 120.51 117.49 1v5l n ALA 42 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1v5l n ALA 42 Cb 0.13 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.75 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 1.37 0.00 0.00 0.00 -1.20 -0.50 119.26 116.94 1v5l h ALA 43 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1v5l h ALA 43 Cb 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1v5l h ALA 43 CO 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 1v5l h ALA 44 N 1.43 1.15 -0.21 0.00 0.00 -0.43 -1.22 119.26 119.99 1v5l h ALA 44 Ca 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1v5l h ALA 44 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1v5l h ALA 44 CO -0.12 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1v5l n ALA 45 N -2.18 2.78 -2.56 0.00 0.00 -0.21 -4.85 120.51 113.50 1v5l n ALA 45 Ca -0.02 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.71 1v5l n ALA 45 Cb 0.17 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 0.20 -4.91 -4.85 0.00 5.03 -0.46 -4.99 115.26 105.28 1v5l n ASN 46 Ca 0.09 -0.11 -0.35 0.00 0.87 0.00 0.00 54.58 55.07 1v5l n ASN 46 Cb 0.43 -3.90 -0.06 0.00 -1.02 0.00 0.00 39.78 35.23 1v5l n ASN 46 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1v5l s LEU 47 N -4.89 4.36 -0.04 3.41 1.43 -1.14 -5.05 118.68 116.75 1v5l s LEU 47 Ca 0.11 0.96 -0.10 0.00 -1.03 0.00 0.00 54.13 54.07 1v5l s LEU 47 Cb -0.05 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.11 1v5l s LEU 47 CO 0.14 0.16 0.22 0.00 0.23 0.00 0.00 176.35 177.10 1v5l s PRO 49 N -0.71 2.59 0.00 0.00 0.04 -1.26 -3.03 135.00 132.62 1v5l s PRO 49 Ca -0.08 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1v5l s PRO 49 Cb -0.04 -4.77 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1v5l s PRO 49 CO 0.02 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 174.37 1v5l n GLY 50 N 6.35 0.29 3.73 0.56 0.00 -1.06 -4.90 105.19 110.16 1v5l n GLY 50 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 4.37 -0.19 1.61 1.01 -1.17 -4.72 116.67 117.58 1v5l s ASP 51 Ca 0.00 2.45 -0.10 0.00 0.71 0.00 0.00 52.55 55.62 1v5l s ASP 51 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 1v5l s ASP 51 CO 0.00 -2.15 0.13 -0.69 0.21 0.00 0.00 175.17 172.67 1v5l s VAL 52 N -1.76 5.39 -0.47 -1.27 1.01 -1.26 -2.95 120.40 119.10 1v5l s VAL 52 Ca 0.77 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.70 1v5l s VAL 52 Cb -0.32 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1v5l s VAL 52 CO 0.43 0.46 0.82 -0.63 0.00 0.00 0.00 175.10 176.17 1v5l s ILE 53 N 0.20 4.60 -0.08 2.22 -1.09 0.83 -3.52 121.20 124.36 1v5l s ILE 53 Ca 0.09 0.41 -0.26 0.00 -2.23 0.00 0.00 60.65 58.66 1v5l s ILE 53 Cb -0.11 -4.36 -0.25 0.00 -1.58 0.00 0.00 42.46 36.15 1v5l s ILE 53 CO -0.01 -0.79 0.92 -0.07 -1.23 0.00 0.00 174.94 173.77 1v5l h LEU 54 N 10.28 0.15 -8.03 2.97 3.38 -0.90 -3.43 115.31 119.72 1v5l h LEU 54 Ca -0.25 -0.87 -0.14 0.00 0.09 0.00 0.00 57.88 56.71 1v5l h LEU 54 Cb 1.08 -0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.61 1v5l h LEU 54 CO 0.98 1.01 -0.63 0.00 0.09 0.00 0.00 178.44 179.89 1v5l s ALA 55 N -2.75 0.17 -0.07 1.53 0.00 -1.23 -0.89 121.76 118.52 1v5l s ALA 55 Ca -0.17 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.07 1v5l s ALA 55 Cb -0.01 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1v5l s ALA 55 CO 0.73 -0.28 -0.24 0.42 0.00 0.00 0.00 175.76 176.39 1v5l s ILE 56 N -2.64 2.02 -0.68 0.00 1.01 0.74 -2.66 121.20 119.00 1v5l s ILE 56 Ca -0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 1v5l s ILE 56 Cb -0.01 -1.73 0.08 0.00 0.01 0.00 0.00 42.46 40.81 1v5l s ILE 56 CO -0.05 0.56 0.21 0.47 0.00 0.00 0.00 174.94 176.13 1v5l n ASP 57 N 3.21 -1.48 -0.35 3.58 8.00 0.37 0.11 116.55 129.98 1v5l n ASP 57 Ca -0.18 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1v5l n ASP 57 Cb 0.52 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1v5l n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v5l n GLY 58 N -0.72 0.92 2.76 0.44 0.00 -1.25 -4.92 105.19 102.43 1v5l n GLY 58 Ca 0.03 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.70 -0.38 0.46 1.61 0.40 0.30 -5.13 117.98 112.54 1v5l s PHE 59 Ca 0.00 0.04 -0.22 0.00 -0.60 0.00 0.00 56.93 56.15 1v5l s PHE 59 Cb 0.00 -0.40 -0.10 0.00 0.51 0.00 0.00 43.02 43.03 1v5l s PHE 59 CO 0.00 -0.77 0.88 0.41 0.70 0.00 0.00 175.22 176.44 1v5l n GLY 60 N 5.32 -0.55 2.16 4.36 0.00 -1.26 -0.18 105.19 115.03 1v5l n GLY 60 Ca -0.04 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.86 3.11 -0.10 2.61 -2.24 -0.07 -4.50 114.28 112.24 1v5l n THR 61 Ca 0.11 -2.33 -0.11 0.00 -2.27 0.00 0.00 64.05 59.44 1v5l n THR 61 Cb 0.41 -1.35 0.02 0.00 -2.10 0.00 0.00 70.33 67.31 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 1.98 0.87 0.00 -0.78 4.11 -1.89 -3.33 114.58 115.53 1v5l h GLU 62 Ca 0.39 -0.43 -0.11 0.00 0.07 0.00 0.00 59.36 59.29 1v5l h GLU 62 Cb 0.81 -0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.82 1v5l h GLU 62 CO 0.99 1.07 -0.81 -1.13 0.07 0.00 0.00 179.01 179.21 1v5l n SER 63 N -4.07 1.07 -4.28 3.06 3.41 -1.26 -5.02 113.62 106.53 1v5l n SER 63 Ca -0.01 -2.44 -0.41 0.00 -0.26 0.00 0.00 58.87 55.75 1v5l n SER 63 Cb 0.51 -0.34 -0.09 0.00 -0.26 0.00 0.00 64.21 64.03 1v5l n SER 63 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1v5l s MET 64 N -0.79 2.65 0.96 4.33 0.00 -1.25 -5.08 119.30 120.12 1v5l s MET 64 Ca 0.30 -1.51 -0.12 0.00 0.00 0.00 0.00 55.69 54.36 1v5l s MET 64 Cb 0.33 -3.88 0.16 0.00 0.00 0.00 0.00 34.83 31.44 1v5l s MET 64 CO -0.12 -1.03 1.09 0.95 0.00 0.00 0.00 175.02 175.92 1v5l s THR 65 N 1.45 2.33 0.18 10.11 -4.23 -1.26 -4.40 115.64 119.83 1v5l s THR 65 Ca 0.04 0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.47 1v5l s THR 65 Cb -0.24 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.15 1v5l s THR 65 CO 0.02 -0.14 1.62 -0.74 -0.54 0.00 0.00 174.62 174.84 1v5l h HIS 66 N -1.75 -0.58 -0.98 3.99 2.76 -1.90 0.11 115.15 116.79 1v5l h HIS 66 Ca -0.52 0.06 0.07 0.00 -2.20 0.00 0.00 60.37 57.77 1v5l h HIS 66 Cb 1.31 0.33 -0.07 0.00 1.55 0.00 0.00 27.41 30.54 1v5l h HIS 66 CO 0.35 -0.31 0.63 0.00 -1.30 0.00 0.00 177.93 177.30 1v5l h ALA 67 N 1.21 1.44 -0.57 5.26 0.00 -1.92 -1.94 119.26 122.74 1v5l h ALA 67 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1v5l h ALA 67 Cb 0.48 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1v5l h ALA 67 CO -0.57 0.41 0.29 -0.44 0.00 0.00 0.00 179.25 178.93 1v5l h ASP 68 N 1.13 0.74 -0.44 0.00 5.19 -1.18 -2.38 116.42 119.48 1v5l h ASP 68 Ca 0.43 -0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.74 1v5l h ASP 68 Cb 0.20 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1v5l h ASP 68 CO -0.17 0.65 0.29 0.00 -3.12 0.00 0.00 179.24 176.89 1v5l h ALA 69 N 1.12 1.77 -0.49 3.45 0.00 -0.37 -1.54 119.26 123.21 1v5l h ALA 69 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1v5l h ALA 69 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1v5l h ALA 69 CO -0.03 0.19 0.12 1.96 0.00 0.00 0.00 179.25 181.49 1v5l h GLN 70 N 0.52 0.74 0.00 0.00 1.08 -1.05 -0.88 115.11 115.52 1v5l h GLN 70 Ca 0.17 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1v5l h GLN 70 Cb 0.05 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1v5l h GLN 70 CO -0.04 0.67 0.00 -3.47 -0.95 0.00 0.00 178.83 175.03 1v5l n ASP 71 N -4.30 0.35 -0.05 1.46 2.03 -0.60 -2.19 116.55 113.26 1v5l n ASP 71 Ca 0.03 0.56 -0.16 0.00 0.52 0.00 0.00 54.79 55.74 1v5l n ASP 71 Cb 0.21 -0.64 -0.14 0.00 -0.72 0.00 0.00 41.12 39.83 1v5l n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1v5l n ARG 72 N -1.85 0.69 0.01 -0.67 5.12 -0.50 -3.24 116.66 116.22 1v5l n ARG 72 Ca 0.04 0.19 -0.14 0.00 -1.93 0.00 0.00 57.85 56.02 1v5l n ARG 72 Cb 0.28 -1.64 -0.02 0.00 -1.16 0.00 0.00 32.46 29.92 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 0.03 1.32 -0.01 0.55 2.04 -1.16 -1.16 117.51 119.12 1v5l h ILE 73 Ca -0.46 -2.04 -0.21 0.00 1.00 0.00 0.00 64.86 63.16 1v5l h ILE 73 Cb 2.03 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 40.13 1v5l h ILE 73 CO 0.03 0.63 -0.88 0.07 0.00 0.00 0.00 178.15 178.00 1v5l h LYS 74 N 0.42 0.32 -0.62 2.37 2.10 -1.63 -3.10 116.57 116.42 1v5l h LYS 74 Ca -0.04 -0.33 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1v5l h LYS 74 Cb 1.35 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 1v5l h LYS 74 CO 0.14 1.01 0.00 0.00 -2.00 0.00 0.00 179.45 178.61 1v5l n ALA 75 N -2.50 2.91 -0.50 0.07 0.00 -1.20 -4.95 120.51 114.34 1v5l n ALA 75 Ca -0.05 -1.22 -0.17 0.00 0.00 0.00 0.00 53.44 52.01 1v5l n ALA 75 Cb 0.80 -1.02 0.26 0.00 0.00 0.00 0.00 19.45 19.49 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 0.89 -4.39 -2.22 0.00 0.00 -0.44 -4.98 120.51 109.37 1v5l n ALA 76 Ca 0.20 -1.43 -0.23 0.00 0.00 0.00 0.00 53.44 51.98 1v5l n ALA 76 Cb 0.70 -0.12 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 -1.12 0.00 0.00 0.00 177.50 176.38 1v5l s SER 77 N -3.32 4.85 0.62 0.00 0.01 -1.26 -4.94 113.70 109.66 1v5l s SER 77 Ca 0.62 -1.07 0.20 0.00 1.31 0.00 0.00 55.95 57.01 1v5l s SER 77 Cb -0.10 0.42 0.79 0.00 0.21 0.00 0.00 66.02 67.34 1v5l s SER 77 CO 0.51 -1.26 1.33 0.10 0.41 0.00 0.00 173.24 174.33 1v5l h TYR 78 N 0.43 0.00 -3.57 2.43 -0.00 -1.96 -3.36 116.97 110.94 1v5l h TYR 78 Ca -0.33 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.10 1v5l h TYR 78 Cb 1.30 0.00 -0.33 0.00 0.00 0.00 0.00 36.73 37.70 1v5l h TYR 78 CO 0.72 0.00 -0.73 1.14 -0.00 0.00 0.00 178.16 179.28 1v5l s GLN 79 N -4.32 0.09 -0.05 0.10 -2.07 -1.26 0.36 119.66 112.52 1v5l s GLN 79 Ca -0.02 0.11 -0.17 0.00 -1.82 0.00 0.00 55.36 53.45 1v5l s GLN 79 Cb 0.10 -0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 31.68 1v5l s GLN 79 CO 0.34 -0.12 0.46 -1.17 -1.32 0.00 0.00 175.29 173.49 1v5l s LEU 80 N 0.82 4.38 -0.24 2.60 2.96 0.30 -4.91 118.68 124.60 1v5l s LEU 80 Ca -0.07 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 54.76 1v5l s LEU 80 Cb -0.11 -2.68 0.03 0.00 0.50 0.00 0.00 46.19 43.94 1v5l s LEU 80 CO -0.02 0.16 -0.10 0.00 -1.32 0.00 0.00 176.35 175.07 1v5l s LEU 82 N 1.28 1.46 -0.20 0.00 1.43 -0.37 0.14 118.68 122.42 1v5l s LEU 82 Ca -0.00 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 1v5l s LEU 82 Cb -0.16 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 1v5l s LEU 82 CO -0.06 -0.03 0.21 -0.75 0.23 0.00 0.00 176.35 175.95 1v5l s LYS 83 N 1.02 4.18 0.19 1.70 2.20 -1.09 -1.77 119.74 126.17 1v5l s LYS 83 Ca -0.08 -0.11 0.09 0.00 -0.36 0.00 0.00 55.97 55.51 1v5l s LYS 83 Cb -0.15 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1v5l s LYS 83 CO -0.00 0.20 -0.10 0.96 -0.36 0.00 0.00 175.35 176.05 1v5l s ILE 84 N 0.62 3.15 0.07 5.43 -4.36 0.78 -0.20 121.20 126.69 1v5l s ILE 84 Ca 0.11 -1.70 0.13 0.00 -0.26 0.00 0.00 60.65 58.93 1v5l s ILE 84 Cb -0.12 -2.57 -0.00 0.00 1.25 0.00 0.00 42.46 41.01 1v5l s ILE 84 CO 0.02 -0.13 1.50 -0.78 0.24 0.00 0.00 174.94 175.79 1v5l h ASP 85 N 2.85 0.00 -5.00 4.36 1.82 -1.84 0.49 116.42 119.09 1v5l h ASP 85 Ca -0.46 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 55.88 1v5l h ASP 85 Cb 1.21 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.35 1v5l h ASP 85 CO 0.54 0.62 -0.60 -1.14 -1.61 0.00 0.00 179.24 177.05 1v5l n ARG 86 N -3.43 -5.93 -3.43 0.28 0.63 -1.26 -4.69 116.66 98.83 1v5l n ARG 86 Ca 0.00 0.69 -0.44 0.00 -0.92 0.00 0.00 57.85 57.19 1v5l n ARG 86 Cb 0.71 -5.28 -0.09 0.00 0.45 0.00 0.00 32.46 28.25 1v5l n ARG 86 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1v5l s ALA 87 N -3.28 3.51 0.35 5.13 0.00 -1.26 -4.94 121.76 121.26 1v5l s ALA 87 Ca 0.20 -1.95 0.04 0.00 0.00 0.00 0.00 51.96 50.25 1v5l s ALA 87 Cb -0.09 -2.97 0.68 0.00 0.00 0.00 0.00 23.12 20.74 1v5l s ALA 87 CO 0.60 -1.61 1.97 1.05 0.00 0.00 0.00 175.76 177.77 1v5l h GLU 88 N 8.68 0.80 -0.64 0.00 4.11 -2.01 -0.28 114.58 125.24 1v5l h GLU 88 Ca -0.28 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1v5l h GLU 88 Cb 1.11 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1v5l h GLU 88 CO 0.81 0.53 0.00 0.25 0.07 0.00 0.00 179.01 180.67 1v5l n THR 89 N -4.46 1.82 -0.23 -1.06 -2.24 -1.26 -4.55 114.28 102.29 1v5l n THR 89 Ca 0.10 -1.09 0.28 0.00 -2.27 0.00 0.00 64.05 61.07 1v5l n THR 89 Cb 0.16 -0.01 0.44 0.00 -2.10 0.00 0.00 70.33 68.82 1v5l n THR 89 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1v5l n ARG 90 N 0.90 0.01 -0.25 -0.78 1.85 -0.12 -1.35 116.66 116.93 1v5l n ARG 90 Ca 0.24 1.01 0.16 0.00 -1.00 0.00 0.00 57.85 58.25 1v5l n ARG 90 Cb 0.88 -2.49 0.30 0.00 -1.05 0.00 0.00 32.46 30.09 1v5l n ARG 90 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1v5l n LEU 91 N -3.23 0.04 -3.34 2.89 0.00 -1.26 -1.75 117.00 110.35 1v5l n LEU 91 Ca 0.24 1.25 -0.26 0.00 0.00 0.00 0.00 56.01 57.24 1v5l n LEU 91 Cb 1.53 -0.51 -0.08 0.00 0.00 0.00 0.00 43.42 44.36 1v5l n LEU 91 CO 0.24 -1.31 -0.17 1.87 0.00 0.00 0.00 177.39 178.01 1v5l n TRP 92 N -4.90 0.99 -3.77 1.96 -0.00 -0.45 -5.03 117.44 106.24 1v5l n TRP 92 Ca 0.21 -3.76 -0.30 0.00 -0.00 0.00 0.00 57.50 53.66 1v5l n TRP 92 Cb 0.71 -0.35 -0.14 0.00 -0.00 0.00 0.00 31.31 31.52 1v5l n TRP 92 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1v5l s SER 93 N -1.42 4.01 0.55 5.87 0.01 -0.71 -4.97 113.70 117.04 1v5l s SER 93 Ca 0.35 -2.05 0.34 0.00 1.31 0.00 0.00 55.95 55.91 1v5l s SER 93 Cb 0.13 -1.03 1.42 0.00 0.21 0.00 0.00 66.02 66.75 1v5l s SER 93 CO -0.10 -0.36 2.00 1.55 0.41 0.00 0.00 173.24 176.74 1v5l h PRO 94 N 7.56 0.00 -5.87 12.44 0.13 -1.96 -3.43 132.00 140.87 1v5l h PRO 94 Ca -0.08 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.42 1v5l h PRO 94 Cb 0.99 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 1v5l h PRO 94 CO 0.48 0.00 -0.45 1.14 -0.23 0.00 0.00 178.00 178.95 1v5l s GLN 95 N -3.69 3.50 0.21 0.86 -2.07 -1.26 -5.11 119.66 112.09 1v5l s GLN 95 Ca 0.01 -0.24 0.10 0.00 -1.82 0.00 0.00 55.36 53.41 1v5l s GLN 95 Cb 0.09 -3.07 -0.04 0.00 -1.09 0.00 0.00 33.01 28.90 1v5l s GLN 95 CO 0.53 0.65 -0.13 0.14 -1.32 0.00 0.00 175.29 175.17 1v5l s VAL 96 N -1.35 2.96 -1.21 3.63 -7.23 -1.26 -5.04 120.40 110.90 1v5l s VAL 96 Ca 0.29 -1.86 -0.21 0.00 -1.81 0.00 0.00 61.98 58.39 1v5l s VAL 96 Cb -0.13 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1v5l s VAL 96 CO 0.19 -0.18 1.87 -0.44 -0.31 0.00 0.00 175.10 176.24 1v5l s SER 97 N -2.98 5.56 0.34 4.85 0.01 -1.26 -4.94 113.70 115.29 1v5l s SER 97 Ca 0.25 -1.87 -0.28 0.00 1.31 0.00 0.00 55.95 55.36 1v5l s SER 97 Cb -0.08 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.45 1v5l s SER 97 CO 0.15 -2.52 1.38 -1.20 0.41 0.00 0.00 173.24 171.46 1v5l n SER 98 N 12.62 3.16 0.00 2.44 7.64 -1.26 -4.82 113.62 133.39 1v5l n SER 98 Ca 0.46 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1v5l n SER 98 Cb 0.46 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1v5l n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5l n GLY 99 N 0.85 5.19 3.57 0.23 0.00 -1.26 -4.77 105.19 109.00 1v5l n GLY 99 Ca 0.04 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 1v5l n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5l s PRO 100 N 3.80 2.92 -0.21 1.61 0.04 -1.26 -4.97 135.00 136.92 1v5l s PRO 100 Ca 0.00 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 1v5l s PRO 100 Cb 0.00 -4.30 -0.03 0.00 0.04 0.00 0.00 34.50 30.21 1v5l s PRO 100 CO 0.00 -2.38 0.51 -1.54 0.04 0.00 0.00 177.00 173.63 1v5l s SER 101 N 7.14 6.52 -0.77 6.66 1.04 -1.26 -5.02 113.70 128.01 1v5l s SER 101 Ca 0.70 0.63 -0.22 0.00 0.48 0.00 0.00 55.95 57.53 1v5l s SER 101 Cb -0.15 -2.28 0.08 0.00 0.10 0.00 0.00 66.02 63.76 1v5l s SER 101 CO 0.25 -0.20 1.09 -0.94 0.98 0.00 0.00 173.24 174.42 1v5l s SER 102 N 1.24 6.31 0.00 7.02 1.04 -1.26 -5.27 113.70 122.77 1v5l s SER 102 Ca 0.23 -1.22 0.30 0.00 0.48 0.00 0.00 55.95 55.75 1v5l s SER 102 Cb -0.15 -2.45 1.55 0.00 0.10 0.00 0.00 66.02 65.07 1v5l s SER 102 CO 0.09 -1.41 2.03 0.61 0.98 0.00 0.00 173.24 175.54