#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 0.16 -0.30 1.61 1.04 -1.26 -5.13 113.70 109.82 1v5l s SER 2 Ca 0.00 -0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.21 1v5l s SER 2 Cb 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1v5l s SER 2 CO 0.00 0.02 0.61 -0.44 0.98 0.00 0.00 173.24 174.40 1v5l s SER 3 N -0.02 6.47 0.00 7.02 0.01 -1.26 -4.93 113.70 121.00 1v5l s SER 3 Ca 0.00 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1v5l s SER 3 Cb -0.01 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1v5l s SER 3 CO -0.00 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1v5l n GLY 4 N 4.45 0.78 3.18 3.44 0.00 -1.26 -4.94 105.19 110.84 1v5l n GLY 4 Ca -0.02 -2.04 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 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 2.06 5.86 -4.66 1.61 7.64 0.28 -5.01 113.62 121.41 1v5l n SER 5 Ca 0.00 -3.20 -0.39 0.00 1.01 0.00 0.00 58.87 56.29 1v5l n SER 5 Cb 0.00 -1.36 -0.07 0.00 -1.01 0.00 0.00 64.21 61.78 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 0.10 6.56 -0.47 6.43 0.01 -1.26 -4.59 113.70 120.48 1v5l s SER 6 Ca 0.32 0.67 -0.11 0.00 1.31 0.00 0.00 55.95 58.14 1v5l s SER 6 Cb -0.02 -2.30 0.10 0.00 0.21 0.00 0.00 66.02 64.02 1v5l s SER 6 CO 0.01 -0.21 0.36 -0.83 0.41 0.00 0.00 173.24 172.98 1v5l s GLY 7 N 1.21 2.03 0.30 3.44 0.00 0.20 -4.98 107.32 109.52 1v5l s GLY 7 Ca 0.24 -2.36 -0.28 0.00 0.00 0.00 0.00 44.72 42.32 1v5l s GLY 7 CO 0.10 1.08 1.05 0.54 0.00 0.00 0.00 173.10 175.87 1v5l s ASN 8 N 2.68 7.23 -0.22 1.64 4.22 -1.26 -0.22 114.94 129.01 1v5l s ASN 8 Ca 0.04 2.14 -0.03 0.00 -2.14 0.00 0.00 52.86 52.87 1v5l s ASN 8 Cb -0.26 -2.61 0.10 0.00 1.28 0.00 0.00 41.25 39.76 1v5l s ASN 8 CO 0.02 -0.16 0.24 -0.69 -2.04 0.00 0.00 177.10 174.47 1v5l s VAL 9 N -1.29 -0.35 -0.37 3.54 1.01 -0.89 -4.93 120.40 117.13 1v5l s VAL 9 Ca 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1v5l s VAL 9 Cb -0.28 -0.75 0.10 0.00 0.00 0.00 0.00 36.38 35.45 1v5l s VAL 9 CO 0.36 -0.26 0.11 -0.69 0.00 0.00 0.00 175.10 174.62 1v5l s VAL 10 N 2.34 2.85 0.04 2.92 1.01 -1.25 -0.13 120.40 128.17 1v5l s VAL 10 Ca 0.08 -2.07 -0.19 0.00 0.00 0.00 0.00 61.98 59.80 1v5l s VAL 10 Cb -0.15 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1v5l s VAL 10 CO -0.17 -0.56 0.55 -0.76 0.00 0.00 0.00 175.10 174.16 1v5l s LEU 11 N 1.07 4.48 -0.16 3.92 1.43 -0.23 -4.86 118.68 124.33 1v5l s LEU 11 Ca 0.07 1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 54.06 1v5l s LEU 11 Cb -0.21 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1v5l s LEU 11 CO -0.05 0.23 1.57 -2.16 0.23 0.00 0.00 176.35 176.16 1v5l s PRO 12 N -0.81 3.99 0.00 1.29 0.04 -1.26 -1.06 135.00 137.20 1v5l s PRO 12 Ca 0.29 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1v5l s PRO 12 Cb -0.19 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1v5l s PRO 12 CO 0.17 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1v5l n GLY 13 N 4.31 4.17 0.00 0.56 0.00 0.51 -4.90 105.19 109.85 1v5l n GLY 13 Ca 0.17 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.97 -0.76 1.61 -0.04 -1.23 -4.85 135.00 128.75 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 0.16 0.00 -0.04 0.00 0.00 33.50 33.62 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 1.40 1.15 0.55 0.00 -1.26 -4.66 121.76 115.97 1v5l s ALA 15 Ca 0.00 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 1v5l s ALA 15 Cb 0.00 -3.41 0.26 0.00 0.00 0.00 0.00 23.12 19.97 1v5l s ALA 15 CO 0.00 -2.73 1.10 -1.25 0.00 0.00 0.00 175.76 172.89 1v5l s PRO 16 N -4.67 -0.78 -0.17 0.00 0.04 -1.26 -5.15 135.00 123.02 1v5l s PRO 16 Ca 0.66 0.09 -0.07 0.00 0.04 0.00 0.00 61.00 61.73 1v5l s PRO 16 Cb -0.22 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 1v5l s PRO 16 CO 0.58 -3.45 -0.21 0.91 0.04 0.00 0.00 177.00 174.88 1v5l n TRP 17 N -4.60 0.00 0.00 0.56 7.02 -1.26 -4.88 117.44 114.28 1v5l n TRP 17 Ca 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 1v5l n TRP 17 Cb 0.59 -0.62 0.00 0.00 -2.42 0.00 0.00 31.31 28.86 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 2.08 1.42 3.85 6.99 0.00 -1.26 -3.47 105.19 114.80 1v5l n GLY 18 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.80 2.81 0.45 1.61 -0.71 -1.26 -2.24 117.98 116.83 1v5l s PHE 19 Ca 0.00 -0.39 0.03 0.00 -1.04 0.00 0.00 56.93 55.54 1v5l s PHE 19 Cb 0.00 -1.92 -0.04 0.00 -1.21 0.00 0.00 43.02 39.85 1v5l s PHE 19 CO 0.00 0.09 0.02 1.03 -1.34 0.00 0.00 175.22 175.02 1v5l s ARG 20 N -4.03 2.05 0.07 1.99 1.81 -0.97 -4.99 118.95 114.89 1v5l s ARG 20 Ca 0.43 -2.25 0.04 0.00 -1.72 0.00 0.00 55.73 52.24 1v5l s ARG 20 Cb -0.04 -1.42 -0.03 0.00 -0.45 0.00 0.00 34.95 33.01 1v5l s ARG 20 CO 0.27 -0.26 -0.12 -0.48 -0.68 0.00 0.00 175.30 174.03 1v5l s LEU 21 N -3.76 2.29 -0.13 2.53 0.05 -1.26 -3.23 118.68 115.16 1v5l s LEU 21 Ca 0.19 -0.63 -0.11 0.00 0.05 0.00 0.00 54.13 53.63 1v5l s LEU 21 Cb 0.05 -0.38 0.04 0.00 -2.05 0.00 0.00 46.19 43.85 1v5l s LEU 21 CO 0.10 -0.14 0.34 -0.55 -0.55 0.00 0.00 176.35 175.54 1v5l s SER 22 N -1.82 -0.37 0.00 1.48 0.15 0.19 -4.50 113.70 108.83 1v5l s SER 22 Ca -0.03 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1v5l s SER 22 Cb -0.09 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1v5l s SER 22 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1v5l n GLY 23 N 3.24 -1.80 0.00 9.45 0.00 -1.26 0.03 105.19 114.86 1v5l n GLY 23 Ca -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 3.80 0.40 -0.02 0.00 0.25 -4.47 105.19 105.15 1v5l n GLY 24 Ca 0.00 -0.48 0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 3.13 0.58 -0.17 -0.61 3.07 -1.75 0.12 117.51 121.87 1v5l h ILE 25 Ca 0.00 0.00 -0.21 0.00 1.55 0.00 0.00 64.86 66.20 1v5l h ILE 25 Cb 0.00 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.22 1v5l h ILE 25 CO 0.00 0.00 -0.72 -0.78 -1.05 0.00 0.00 178.15 175.60 1v5l h ASP 26 N 0.00 0.85 -0.22 2.16 1.82 -1.89 -3.00 116.42 116.15 1v5l h ASP 26 Ca 0.28 -0.53 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1v5l h ASP 26 Cb 1.20 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.96 1v5l h ASP 26 CO -0.00 1.32 0.00 0.49 -1.61 0.00 0.00 179.24 179.44 1v5l n PHE 27 N -3.93 0.70 -3.93 0.28 3.01 0.31 -4.87 117.46 109.02 1v5l n PHE 27 Ca -0.06 -0.25 -0.30 0.00 1.01 0.00 0.00 57.45 57.85 1v5l n PHE 27 Cb 0.71 -0.21 0.02 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.24 -4.34 -3.77 4.37 3.02 -0.92 -4.83 115.26 109.04 1v5l n ASN 28 Ca 0.10 -0.81 -0.13 0.00 -0.03 0.00 0.00 54.58 53.71 1v5l n ASN 28 Cb 0.53 -3.77 -0.10 0.00 -0.61 0.00 0.00 39.78 35.83 1v5l n ASN 28 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1v5l s GLN 29 N -6.61 0.47 0.32 3.52 -0.21 -0.60 -4.99 119.66 111.56 1v5l s GLN 29 Ca 0.62 0.23 -0.29 0.00 0.02 0.00 0.00 55.36 55.94 1v5l s GLN 29 Cb -0.31 0.22 -0.10 0.00 1.00 0.00 0.00 33.01 33.82 1v5l s GLN 29 CO 0.84 -0.09 1.22 -1.25 -2.12 0.00 0.00 175.29 173.90 1v5l s PRO 30 N -0.32 4.41 -0.53 2.91 0.04 -1.26 0.84 135.00 141.10 1v5l s PRO 30 Ca -0.04 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 1v5l s PRO 30 Cb -0.03 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.44 1v5l s PRO 30 CO 0.02 -0.07 1.61 -0.51 0.04 0.00 0.00 177.00 178.08 1v5l s LEU 31 N -1.77 3.40 0.12 -3.56 1.43 -1.25 -4.22 118.68 112.83 1v5l s LEU 31 Ca 0.48 0.51 0.11 0.00 -1.03 0.00 0.00 54.13 54.20 1v5l s LEU 31 Cb -0.36 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1v5l s LEU 31 CO 0.47 -1.89 -0.26 0.68 0.23 0.00 0.00 176.35 175.58 1v5l s VAL 32 N 7.04 2.20 0.26 -1.59 -7.23 0.10 0.01 120.40 121.18 1v5l s VAL 32 Ca 0.62 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1v5l s VAL 32 Cb -0.14 -1.94 -0.11 0.00 0.56 0.00 0.00 36.38 34.75 1v5l s VAL 32 CO 0.26 0.10 1.58 -0.63 -0.31 0.00 0.00 175.10 176.10 1v5l s ILE 33 N -1.04 2.24 -0.15 -0.62 1.01 -1.15 0.57 121.20 122.06 1v5l s ILE 33 Ca 0.13 0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.83 1v5l s ILE 33 Cb -0.10 -3.13 -0.12 0.00 0.01 0.00 0.00 42.46 39.13 1v5l s ILE 33 CO 0.05 0.03 0.19 0.71 0.00 0.00 0.00 174.94 175.92 1v5l h THR 34 N 3.55 0.66 -4.04 2.92 1.35 -1.78 -2.69 112.91 112.89 1v5l h THR 34 Ca -0.46 -1.62 -0.14 0.00 -0.55 0.00 0.00 66.41 63.64 1v5l h THR 34 Cb 1.21 1.38 -0.18 0.00 -1.73 0.00 0.00 68.15 68.83 1v5l h THR 34 CO 0.83 0.22 -0.65 -0.13 -0.25 0.00 0.00 175.52 175.54 1v5l s ARG 35 N -2.10 0.49 -0.09 4.72 1.81 -1.26 -4.65 118.95 117.86 1v5l s ARG 35 Ca -0.16 -0.87 0.02 0.00 -1.72 0.00 0.00 55.73 53.00 1v5l s ARG 35 Cb 0.01 0.17 0.01 0.00 -0.45 0.00 0.00 34.95 34.70 1v5l s ARG 35 CO 0.37 -0.09 -0.16 0.42 -0.68 0.00 0.00 175.30 175.16 1v5l s ILE 36 N -2.64 1.48 -0.11 1.52 -1.09 -1.26 -2.29 121.20 116.81 1v5l s ILE 36 Ca -0.05 -0.66 -0.29 0.00 -2.23 0.00 0.00 60.65 57.42 1v5l s ILE 36 Cb -0.01 -1.33 -0.06 0.00 -1.58 0.00 0.00 42.46 39.47 1v5l s ILE 36 CO -0.05 0.43 2.00 -0.89 -1.23 0.00 0.00 174.94 175.20 1v5l s THR 37 N 0.74 3.15 -0.45 2.92 2.01 -0.95 -4.83 115.64 118.22 1v5l s THR 37 Ca -0.12 0.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 1v5l s THR 37 Cb -0.16 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1v5l s THR 37 CO 0.03 -0.06 1.76 -2.16 -0.69 0.00 0.00 174.62 173.49 1v5l s PRO 38 N 5.25 3.12 0.00 4.92 0.04 -1.26 -2.65 135.00 144.41 1v5l s PRO 38 Ca 0.90 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1v5l s PRO 38 Cb -0.35 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 29.95 1v5l s PRO 38 CO 0.37 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1v5l n GLY 39 N 5.47 0.67 3.30 0.56 0.00 -1.26 -5.04 105.19 108.89 1v5l n GLY 39 Ca 0.21 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.81 -1.50 0.21 1.61 3.41 -1.24 -4.98 113.62 110.32 1v5l n SER 40 Ca 0.00 -1.79 0.18 0.00 -0.26 0.00 0.00 58.87 57.00 1v5l n SER 40 Cb 0.30 2.43 0.80 0.00 -0.26 0.00 0.00 64.21 67.49 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 -1.89 0.41 116.57 120.99 1v5l h LYS 41 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1v5l h LYS 41 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1v5l h LYS 41 CO 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1v5l n ALA 42 N -2.16 -0.09 -0.28 3.86 0.00 -1.23 -2.84 120.51 117.77 1v5l n ALA 42 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 1v5l n ALA 42 Cb 0.47 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.02 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 1.03 -0.14 0.00 0.00 -1.35 -0.82 119.26 115.98 1v5l h ALA 43 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1v5l h ALA 43 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1v5l h ALA 43 CO 0.00 0.27 0.15 0.00 0.00 0.00 0.00 179.25 179.67 1v5l h ALA 44 N 1.34 1.76 -0.23 0.00 0.00 -0.35 0.10 119.26 121.89 1v5l h ALA 44 Ca 0.32 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1v5l h ALA 44 Cb 0.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1v5l h ALA 44 CO -0.13 -0.22 0.02 0.00 0.00 0.00 0.00 179.25 178.92 1v5l n ALA 45 N -2.34 3.07 -2.87 0.00 0.00 -0.33 -4.84 120.51 113.20 1v5l n ALA 45 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 1v5l n ALA 45 Cb 0.27 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.69 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 -5.48 -4.79 0.00 3.02 0.36 -4.96 115.26 103.61 1v5l n ASN 46 Ca 0.11 -0.23 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 1v5l n ASN 46 Cb 0.63 -4.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.42 1v5l n ASN 46 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1v5l s LEU 47 N -5.74 4.53 -0.07 3.41 1.43 -1.11 -5.04 118.68 116.09 1v5l s LEU 47 Ca 0.24 1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.60 1v5l s LEU 47 Cb -0.11 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.12 1v5l s LEU 47 CO 0.30 0.23 0.25 0.00 0.23 0.00 0.00 176.35 177.36 1v5l s PRO 49 N -0.36 2.59 0.00 0.00 0.04 -1.26 -3.12 135.00 132.89 1v5l s PRO 49 Ca -0.05 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1v5l s PRO 49 Cb -0.03 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.83 1v5l s PRO 49 CO 0.01 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.45 1v5l n GLY 50 N 6.20 0.36 3.73 0.56 0.00 -1.01 -4.91 105.19 110.11 1v5l n GLY 50 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1v5l n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1v5l n ASP 51 N 0.00 3.50 -4.71 1.61 8.00 -1.18 -4.71 116.55 119.05 1v5l n ASP 51 Ca 0.00 1.16 -0.39 0.00 0.71 0.00 0.00 54.79 56.27 1v5l n ASP 51 Cb 0.00 -1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 39.50 1v5l n ASP 51 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1v5l s VAL 52 N -0.18 5.14 -0.17 2.53 1.01 -1.26 -2.94 120.40 124.53 1v5l s VAL 52 Ca 0.64 1.07 -0.27 0.00 0.00 0.00 0.00 61.98 63.42 1v5l s VAL 52 Cb -0.54 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1v5l s VAL 52 CO 0.51 0.28 0.90 -0.63 0.00 0.00 0.00 175.10 176.16 1v5l s ILE 53 N 0.83 4.83 -0.25 2.22 -1.09 0.10 -2.53 121.20 125.31 1v5l s ILE 53 Ca 0.28 1.77 -0.15 0.00 -2.23 0.00 0.00 60.65 60.32 1v5l s ILE 53 Cb -0.16 -4.20 -0.10 0.00 -1.58 0.00 0.00 42.46 36.42 1v5l s ILE 53 CO 0.12 -0.01 -0.35 0.18 -1.23 0.00 0.00 174.94 173.65 1v5l n LEU 54 N 5.38 1.95 -3.90 2.97 4.77 0.30 -4.59 117.00 123.87 1v5l n LEU 54 Ca 0.06 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 1v5l n LEU 54 Cb 0.48 -0.80 -0.15 0.00 -2.33 0.00 0.00 43.42 40.63 1v5l n LEU 54 CO 0.49 0.34 -0.38 0.00 -1.33 0.00 0.00 177.39 176.51 1v5l s ALA 55 N -2.62 0.27 -0.21 -1.18 0.00 -1.17 -0.69 121.76 116.16 1v5l s ALA 55 Ca -0.36 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1v5l s ALA 55 Cb 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1v5l s ALA 55 CO 0.47 0.04 0.08 0.42 0.00 0.00 0.00 175.76 176.77 1v5l s ILE 56 N 0.13 4.68 -1.63 0.00 1.01 0.11 -1.37 121.20 124.14 1v5l s ILE 56 Ca -0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 1v5l s ILE 56 Cb -0.04 -3.15 0.14 0.00 0.01 0.00 0.00 42.46 39.43 1v5l s ILE 56 CO -0.00 0.40 0.77 0.47 0.00 0.00 0.00 174.94 176.57 1v5l n ASP 57 N 4.16 -3.52 -0.73 3.58 8.00 0.28 -0.45 116.55 127.87 1v5l n ASP 57 Ca -0.16 -0.90 -0.03 0.00 0.71 0.00 0.00 54.79 54.41 1v5l n ASP 57 Cb 0.52 -2.87 0.01 0.00 -0.02 0.00 0.00 41.12 38.75 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 -1.38 0.60 2.76 0.44 0.00 -1.25 -4.99 105.19 101.38 1v5l n GLY 58 Ca 0.07 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.76 -0.39 0.54 1.61 0.08 0.40 -5.11 117.98 112.34 1v5l s PHE 59 Ca 0.05 0.06 -0.19 0.00 0.12 0.00 0.00 56.93 56.97 1v5l s PHE 59 Cb -0.02 -0.39 -0.09 0.00 -0.57 0.00 0.00 43.02 41.95 1v5l s PHE 59 CO 0.07 -0.77 0.61 0.41 -0.10 0.00 0.00 175.22 175.43 1v5l n GLY 60 N 5.32 -1.28 2.31 4.36 0.00 -1.26 0.07 105.19 114.70 1v5l n GLY 60 Ca -0.04 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.51 3.57 0.14 2.61 -2.24 0.13 -4.54 114.28 112.44 1v5l n THR 61 Ca 0.12 -2.80 -0.01 0.00 -2.27 0.00 0.00 64.05 59.09 1v5l n THR 61 Cb 0.46 -1.06 0.24 0.00 -2.10 0.00 0.00 70.33 67.87 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 1.86 0.08 0.00 -0.78 9.09 -1.90 -3.26 114.58 119.68 1v5l h GLU 62 Ca 0.61 -0.04 -0.08 0.00 0.05 0.00 0.00 59.36 59.90 1v5l h GLU 62 Cb 1.11 0.00 -0.17 0.00 -1.65 0.00 0.00 28.75 28.04 1v5l h GLU 62 CO 1.52 0.55 -0.69 0.43 0.05 0.00 0.00 179.01 180.87 1v5l n SER 63 N -3.96 1.24 -4.12 3.06 7.64 -1.26 -5.00 113.62 111.22 1v5l n SER 63 Ca -0.02 -2.74 -0.35 0.00 1.01 0.00 0.00 58.87 56.78 1v5l n SER 63 Cb 0.51 -0.38 -0.13 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.35 2.03 0.96 1.43 0.00 -1.23 -5.07 119.30 116.07 1v5l s MET 64 Ca 0.31 -1.66 -0.12 0.00 0.00 0.00 0.00 55.69 54.22 1v5l s MET 64 Cb 0.32 -3.38 0.17 0.00 0.00 0.00 0.00 34.83 31.94 1v5l s MET 64 CO -0.10 -0.90 1.10 0.95 0.00 0.00 0.00 175.02 176.07 1v5l s THR 65 N 1.13 2.17 0.20 10.11 -4.23 -1.26 -4.40 115.64 119.34 1v5l s THR 65 Ca 0.04 0.05 -0.21 0.00 -1.18 0.00 0.00 61.69 60.40 1v5l s THR 65 Cb -0.21 -2.62 0.13 0.00 1.34 0.00 0.00 72.50 71.14 1v5l s THR 65 CO -0.04 -0.07 1.57 -0.74 -0.54 0.00 0.00 174.62 174.80 1v5l h HIS 66 N -1.73 -1.09 -0.80 3.99 2.76 -1.89 0.32 115.15 116.71 1v5l h HIS 66 Ca -0.53 0.09 0.13 0.00 -2.20 0.00 0.00 60.37 57.86 1v5l h HIS 66 Cb 1.32 0.59 -0.09 0.00 1.55 0.00 0.00 27.41 30.78 1v5l h HIS 66 CO 0.31 -0.40 0.40 0.00 -1.30 0.00 0.00 177.93 176.94 1v5l h ALA 67 N 1.02 1.16 -0.63 5.26 0.00 -1.92 -0.92 119.26 123.22 1v5l h ALA 67 Ca 0.25 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1v5l h ALA 67 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1v5l h ALA 67 CO -0.79 -0.08 0.38 -0.44 0.00 0.00 0.00 179.25 178.32 1v5l h ASP 68 N 0.60 0.76 -0.79 0.00 5.19 -0.77 -2.39 116.42 119.02 1v5l h ASP 68 Ca 0.42 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.79 1v5l h ASP 68 Cb 0.55 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 1v5l h ASP 68 CO -0.34 0.59 0.52 0.00 -3.12 0.00 0.00 179.24 176.89 1v5l h ALA 69 N 1.20 1.01 -0.79 3.45 0.00 0.24 -2.36 119.26 122.00 1v5l h ALA 69 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1v5l h ALA 69 Cb -0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1v5l h ALA 69 CO -0.04 0.39 0.48 1.96 0.00 0.00 0.00 179.25 182.04 1v5l h GLN 70 N 1.04 1.07 0.00 0.00 4.20 -0.96 -0.28 115.11 120.19 1v5l h GLN 70 Ca 0.30 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1v5l h GLN 70 Cb -0.09 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.46 1v5l h GLN 70 CO -0.08 0.75 0.00 -3.47 -0.67 0.00 0.00 178.83 175.36 1v5l n ASP 71 N -4.48 0.29 -0.07 1.46 2.03 -0.93 -1.87 116.55 112.98 1v5l n ASP 71 Ca 0.08 0.58 -0.12 0.00 0.52 0.00 0.00 54.79 55.84 1v5l n ASP 71 Cb 0.05 -0.64 -0.15 0.00 -0.72 0.00 0.00 41.12 39.67 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 -1.83 0.67 0.03 -0.67 5.12 -0.27 -3.36 116.66 116.37 1v5l n ARG 72 Ca 0.02 0.13 -0.17 0.00 -1.93 0.00 0.00 57.85 55.91 1v5l n ARG 72 Cb 0.18 -1.62 -0.07 0.00 -1.16 0.00 0.00 32.46 29.79 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 0.01 1.31 -0.01 0.55 2.04 -0.79 -0.93 117.51 119.70 1v5l h ILE 73 Ca -0.47 -2.22 -0.20 0.00 1.00 0.00 0.00 64.86 62.97 1v5l h ILE 73 Cb 2.10 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 40.45 1v5l h ILE 73 CO 0.03 0.68 -0.86 0.07 0.00 0.00 0.00 178.15 178.07 1v5l h LYS 74 N 0.38 0.26 -0.62 2.37 2.10 -1.57 -3.13 116.57 116.36 1v5l h LYS 74 Ca -0.09 -0.27 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1v5l h LYS 74 Cb 1.57 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1v5l h LYS 74 CO 0.18 0.97 0.00 0.00 -2.00 0.00 0.00 179.45 178.60 1v5l n ALA 75 N -2.48 3.58 -0.63 0.07 0.00 -1.21 -4.88 120.51 114.95 1v5l n ALA 75 Ca -0.04 -1.78 -0.09 0.00 0.00 0.00 0.00 53.44 51.53 1v5l n ALA 75 Cb 0.79 -1.09 0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 0.83 -2.63 -3.21 0.00 0.00 -0.35 -4.96 120.51 110.19 1v5l n ALA 76 Ca 0.27 -0.78 -0.19 0.00 0.00 0.00 0.00 53.44 52.74 1v5l n ALA 76 Cb 1.08 -0.07 0.04 0.00 0.00 0.00 0.00 19.45 20.50 1v5l n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1v5l n SER 77 N -4.42 1.78 -0.11 0.00 7.64 -1.26 -4.92 113.62 112.32 1v5l n SER 77 Ca 0.07 -2.23 0.23 0.00 1.01 0.00 0.00 58.87 57.95 1v5l n SER 77 Cb 0.30 -0.26 0.39 0.00 -1.01 0.00 0.00 64.21 63.64 1v5l n SER 77 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1v5l h TYR 78 N 0.20 0.00 -3.88 1.43 -0.00 -1.97 -3.38 116.97 109.37 1v5l h TYR 78 Ca -0.22 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 58.35 1v5l h TYR 78 Cb 0.95 0.00 -0.20 0.00 -0.00 0.00 0.00 36.73 37.48 1v5l h TYR 78 CO 0.00 0.00 -0.64 -0.65 -0.00 0.00 0.00 178.16 176.87 1v5l s GLN 79 N -4.38 0.37 -0.42 0.10 -0.21 -1.26 -0.36 119.66 113.50 1v5l s GLN 79 Ca -0.02 -0.60 -0.14 0.00 0.02 0.00 0.00 55.36 54.61 1v5l s GLN 79 Cb 0.12 0.14 0.03 0.00 1.00 0.00 0.00 33.01 34.30 1v5l s GLN 79 CO 0.40 -0.07 0.31 -1.17 -2.12 0.00 0.00 175.29 172.64 1v5l s LEU 80 N -1.54 5.18 -0.51 2.90 2.96 -0.22 -4.91 118.68 122.54 1v5l s LEU 80 Ca -0.14 -1.02 -0.15 0.00 -0.22 0.00 0.00 54.13 52.59 1v5l s LEU 80 Cb -0.08 -2.14 0.11 0.00 0.50 0.00 0.00 46.19 44.57 1v5l s LEU 80 CO -0.01 -0.49 0.45 0.00 -1.32 0.00 0.00 176.35 174.98 1v5l s LEU 82 N 1.60 2.71 -0.53 0.00 1.43 0.81 0.98 118.68 125.69 1v5l s LEU 82 Ca 0.03 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.49 1v5l s LEU 82 Cb -0.28 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.33 1v5l s LEU 82 CO 0.04 0.02 0.74 -0.75 0.23 0.00 0.00 176.35 176.64 1v5l s LYS 83 N 1.23 3.20 0.28 1.70 2.20 -0.47 -2.08 119.74 125.79 1v5l s LYS 83 Ca 0.02 -0.67 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1v5l s LYS 83 Cb -0.14 -4.09 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 1v5l s LYS 83 CO -0.04 -1.33 0.36 0.96 -0.36 0.00 0.00 175.35 174.95 1v5l s ILE 84 N 3.13 4.60 -0.74 5.43 -4.36 0.70 -0.54 121.20 129.42 1v5l s ILE 84 Ca 0.21 -1.09 0.23 0.00 -0.26 0.00 0.00 60.65 59.74 1v5l s ILE 84 Cb -0.17 -3.58 -0.06 0.00 1.25 0.00 0.00 42.46 39.90 1v5l s ILE 84 CO 0.14 -0.26 1.17 -0.67 0.24 0.00 0.00 174.94 175.56 1v5l n ASP 85 N -1.44 0.63 -3.45 4.36 2.03 -1.05 0.62 116.55 118.25 1v5l n ASP 85 Ca -0.05 -0.21 -0.25 0.00 0.52 0.00 0.00 54.79 54.79 1v5l n ASP 85 Cb 0.58 0.56 -0.05 0.00 -0.72 0.00 0.00 41.12 41.49 1v5l n ASP 85 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1v5l n ARG 86 N -1.85 -1.28 -2.75 -0.67 1.85 -1.26 -4.75 116.66 105.95 1v5l n ARG 86 Ca 0.03 0.08 -0.43 0.00 -1.00 0.00 0.00 57.85 56.54 1v5l n ARG 86 Cb 0.40 -3.77 -0.04 0.00 -1.05 0.00 0.00 32.46 28.01 1v5l n ARG 86 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1v5l s ALA 87 N -2.48 3.13 0.21 2.89 0.00 -1.26 -4.92 121.76 119.32 1v5l s ALA 87 Ca 0.49 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1v5l s ALA 87 Cb -0.29 -3.81 0.22 0.00 0.00 0.00 0.00 23.12 19.25 1v5l s ALA 87 CO 0.60 -2.39 1.60 1.05 0.00 0.00 0.00 175.76 176.63 1v5l h GLU 88 N 9.32 -0.06 -1.39 0.00 4.11 -2.00 0.41 114.58 124.97 1v5l h GLU 88 Ca -0.25 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.96 1v5l h GLU 88 Cb 1.07 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 30.22 1v5l h GLU 88 CO 1.10 -0.04 0.29 2.41 0.07 0.00 0.00 179.01 182.84 1v5l n THR 89 N -5.46 2.28 -1.18 -1.06 -1.04 -1.26 -4.84 114.28 101.72 1v5l n THR 89 Ca 0.07 -1.11 -0.27 0.00 -2.04 0.00 0.00 64.05 60.70 1v5l n THR 89 Cb 0.36 -1.16 -0.11 0.00 -1.82 0.00 0.00 70.33 67.60 1v5l n THR 89 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1v5l n ARG 90 N 0.35 0.18 -2.76 -2.82 1.85 0.14 -4.86 116.66 108.74 1v5l n ARG 90 Ca 0.22 -1.48 -0.21 0.00 -1.00 0.00 0.00 57.85 55.38 1v5l n ARG 90 Cb 0.70 -3.36 0.06 0.00 -1.05 0.00 0.00 32.46 28.81 1v5l n ARG 90 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1v5l s LEU 91 N 10.05 3.23 -0.70 2.89 2.96 -1.26 -4.88 118.68 130.96 1v5l s LEU 91 Ca 0.76 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 54.21 1v5l s LEU 91 Cb 0.03 -2.36 -0.21 0.00 0.50 0.00 0.00 46.19 44.16 1v5l s LEU 91 CO 0.25 -1.31 1.64 1.87 -1.32 0.00 0.00 176.35 177.47 1v5l n TRP 92 N -2.38 0.14 -3.68 5.38 -0.00 -1.26 -4.80 117.44 110.84 1v5l n TRP 92 Ca 0.11 0.09 -0.13 0.00 -0.00 0.00 0.00 57.50 57.57 1v5l n TRP 92 Cb 0.60 -0.81 -0.07 0.00 -0.00 0.00 0.00 31.31 31.04 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 2.19 -0.28 0.95 5.87 0.01 -1.26 -5.18 113.70 116.00 1v5l s SER 93 Ca 0.93 0.05 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1v5l s SER 93 Cb -0.69 0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.94 1v5l s SER 93 CO 0.38 -0.62 0.00 -0.81 0.41 0.00 0.00 173.24 172.60 1v5l n PRO 94 N 0.68 -0.92 -1.00 12.44 -0.04 -1.26 -4.81 135.00 140.10 1v5l n PRO 94 Ca -0.19 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.97 1v5l n PRO 94 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.02 1v5l n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v5l n GLN 95 N -1.43 2.47 -5.17 0.54 -0.00 -1.26 -4.84 117.38 107.69 1v5l n GLN 95 Ca 0.00 -1.76 -0.29 0.00 -0.00 0.00 0.00 57.00 54.94 1v5l n GLN 95 Cb 0.00 -2.65 -0.16 0.00 -0.00 0.00 0.00 30.24 27.43 1v5l n GLN 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1v5l s VAL 96 N 3.28 1.88 -0.32 -0.39 -7.23 -1.26 -5.04 120.40 111.32 1v5l s VAL 96 Ca 0.50 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.71 1v5l s VAL 96 Cb 0.13 -1.56 0.45 0.00 0.56 0.00 0.00 36.38 35.96 1v5l s VAL 96 CO -0.03 0.52 1.16 -1.54 -0.31 0.00 0.00 175.10 174.90 1v5l n SER 97 N 2.46 4.59 -4.59 4.85 3.41 -1.26 -4.97 113.62 118.10 1v5l n SER 97 Ca -0.16 -3.61 -0.33 0.00 -0.26 0.00 0.00 58.87 54.52 1v5l n SER 97 Cb 0.52 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 1v5l n SER 97 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1v5l s SER 98 N -3.59 4.64 0.00 4.04 0.15 -1.26 -0.56 113.70 117.13 1v5l s SER 98 Ca 0.48 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1v5l s SER 98 Cb 0.40 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1v5l s SER 98 CO -0.02 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1v5l n GLY 99 N 1.79 5.93 3.56 9.45 0.00 -1.26 -5.01 105.19 119.66 1v5l n GLY 99 Ca -0.16 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 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 0.27 2.55 -0.40 1.61 0.04 -1.26 -4.87 135.00 132.93 1v5l s PRO 100 Ca 0.00 -0.43 0.01 0.00 0.04 0.00 0.00 61.00 60.62 1v5l s PRO 100 Cb 0.00 -5.09 0.12 0.00 0.04 0.00 0.00 34.50 29.57 1v5l s PRO 100 CO 0.00 -3.47 0.19 0.45 0.04 0.00 0.00 177.00 174.21 1v5l s SER 101 N 7.78 3.81 -0.96 6.66 0.15 -1.26 -5.06 113.70 124.82 1v5l s SER 101 Ca 0.70 -2.33 -0.24 0.00 0.70 0.00 0.00 55.95 54.77 1v5l s SER 101 Cb -0.06 -1.02 -0.06 0.00 -1.71 0.00 0.00 66.02 63.18 1v5l s SER 101 CO 0.01 -0.31 1.95 -0.55 1.20 0.00 0.00 173.24 175.54 1v5l s SER 102 N 0.73 5.12 0.00 5.45 0.15 -1.26 -5.23 113.70 118.66 1v5l s SER 102 Ca 0.15 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1v5l s SER 102 Cb -0.22 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 1v5l s SER 102 CO -0.07 -2.81 0.42 0.61 1.20 0.00 0.00 173.24 172.59