#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 0.77 -0.15 1.61 2.88 -1.26 -4.73 113.62 112.74 1v5l n SER 2 Ca 0.00 0.12 -0.03 0.00 -1.33 0.00 0.00 58.87 57.63 1v5l n SER 2 Cb 0.00 -0.30 0.05 0.00 -0.75 0.00 0.00 64.21 63.22 1v5l n SER 2 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1v5l h SER 3 N -0.31 0.01 -1.78 -3.46 0.02 -2.08 -3.47 113.55 102.48 1v5l h SER 3 Ca -0.17 0.08 0.14 0.00 -0.84 0.00 0.00 61.79 61.00 1v5l h SER 3 Cb 1.00 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1v5l h SER 3 CO -0.10 0.04 0.45 0.61 -1.14 0.00 0.00 176.83 176.69 1v5l n GLY 4 N -1.27 0.70 3.09 -3.77 0.00 -1.26 -4.97 105.19 97.70 1v5l n GLY 4 Ca 0.04 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.98 5.31 -4.46 1.61 7.64 -1.26 -4.06 113.62 117.42 1v5l n SER 5 Ca -0.00 -3.10 -0.43 0.00 1.01 0.00 0.00 58.87 56.34 1v5l n SER 5 Cb 0.39 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.08 1v5l n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v5l s SER 6 N 1.16 6.27 -0.72 6.43 0.15 -1.26 -4.47 113.70 121.26 1v5l s SER 6 Ca 0.39 -1.17 -0.23 0.00 0.70 0.00 0.00 55.95 55.64 1v5l s SER 6 Cb 0.04 -2.43 0.07 0.00 -1.71 0.00 0.00 66.02 61.99 1v5l s SER 6 CO 0.01 -1.40 1.05 -0.83 1.20 0.00 0.00 173.24 173.27 1v5l s GLY 7 N 3.74 1.36 0.28 9.45 0.00 -0.83 -4.97 107.32 116.37 1v5l s GLY 7 Ca 0.26 -1.90 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 1v5l s GLY 7 CO 0.06 2.16 1.10 0.54 0.00 0.00 0.00 173.10 176.96 1v5l s ASN 8 N 3.74 7.27 -0.25 1.64 4.22 -1.26 -0.95 114.94 129.34 1v5l s ASN 8 Ca 0.26 2.27 -0.02 0.00 -2.14 0.00 0.00 52.86 53.22 1v5l s ASN 8 Cb -0.14 -2.63 0.12 0.00 1.28 0.00 0.00 41.25 39.89 1v5l s ASN 8 CO 0.08 -0.14 0.28 -0.69 -2.04 0.00 0.00 177.10 174.59 1v5l s VAL 9 N -1.17 -0.41 -0.42 3.54 1.01 -0.94 -4.94 120.40 117.08 1v5l s VAL 9 Ca 0.44 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1v5l s VAL 9 Cb -0.32 -0.85 0.10 0.00 0.00 0.00 0.00 36.38 35.31 1v5l s VAL 9 CO 0.41 -0.32 0.24 -0.69 0.00 0.00 0.00 175.10 174.73 1v5l s VAL 10 N 2.38 3.74 0.08 2.92 1.01 -1.26 -0.44 120.40 128.84 1v5l s VAL 10 Ca 0.09 -1.75 -0.21 0.00 0.00 0.00 0.00 61.98 60.11 1v5l s VAL 10 Cb -0.15 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1v5l s VAL 10 CO -0.23 -0.61 0.62 -0.76 0.00 0.00 0.00 175.10 174.12 1v5l s LEU 11 N 1.28 4.53 0.01 3.92 1.43 -0.49 -4.90 118.68 124.47 1v5l s LEU 11 Ca 0.05 1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 54.18 1v5l s LEU 11 Cb -0.23 -2.98 -0.06 0.00 0.03 0.00 0.00 46.19 42.94 1v5l s LEU 11 CO -0.01 0.24 1.44 -2.16 0.23 0.00 0.00 176.35 176.09 1v5l s PRO 12 N -0.99 4.27 0.00 1.29 0.04 -1.26 -1.87 135.00 136.48 1v5l s PRO 12 Ca 0.31 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1v5l s PRO 12 Cb -0.20 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1v5l s PRO 12 CO 0.20 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1v5l n GLY 13 N 3.70 5.91 0.28 0.56 0.00 0.41 -4.85 105.19 111.20 1v5l n GLY 13 Ca 0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.05 -1.19 -1.00 1.61 -0.04 -1.23 -4.83 135.00 128.26 1v5l n PRO 14 Ca 0.00 -0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 63.03 1v5l n PRO 14 Cb 0.00 -0.13 0.18 0.00 -0.04 0.00 0.00 33.50 33.51 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 0.89 0.92 0.55 0.00 -1.26 -4.67 121.76 115.20 1v5l s ALA 15 Ca 0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1v5l s ALA 15 Cb -0.01 -3.20 0.14 0.00 0.00 0.00 0.00 23.12 20.05 1v5l s ALA 15 CO 0.04 -2.88 1.09 -1.25 0.00 0.00 0.00 175.76 172.76 1v5l s PRO 16 N -4.81 1.07 -0.26 0.00 0.04 -1.26 -5.15 135.00 124.63 1v5l s PRO 16 Ca 0.65 0.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 1v5l s PRO 16 Cb -0.20 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1v5l s PRO 16 CO 0.59 -2.35 -0.34 0.91 0.04 0.00 0.00 177.00 175.85 1v5l n TRP 17 N -3.95 0.00 0.00 0.56 7.02 -1.26 -4.94 117.44 114.87 1v5l n TRP 17 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1v5l n TRP 17 Cb 0.56 -0.95 0.00 0.00 -2.42 0.00 0.00 31.31 28.50 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 1.37 1.15 3.82 6.99 0.00 -1.26 -3.86 105.19 113.41 1v5l n GLY 18 Ca -0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.85 3.27 0.50 1.61 -0.71 -1.26 -2.14 117.98 117.40 1v5l s PHE 19 Ca 0.00 0.09 0.07 0.00 -1.04 0.00 0.00 56.93 56.05 1v5l s PHE 19 Cb 0.00 -1.62 0.02 0.00 -1.21 0.00 0.00 43.02 40.21 1v5l s PHE 19 CO 0.00 0.53 0.44 1.03 -1.34 0.00 0.00 175.22 175.88 1v5l s ARG 20 N -2.66 2.36 0.05 1.99 1.81 -0.84 -4.99 118.95 116.67 1v5l s ARG 20 Ca 0.31 -1.78 0.03 0.00 -1.72 0.00 0.00 55.73 52.56 1v5l s ARG 20 Cb -0.12 -2.27 -0.03 0.00 -0.45 0.00 0.00 34.95 32.08 1v5l s ARG 20 CO 0.24 -0.48 -0.09 -0.48 -0.68 0.00 0.00 175.30 173.81 1v5l s LEU 21 N -4.27 2.26 -0.12 2.53 0.05 -1.26 -3.42 118.68 114.46 1v5l s LEU 21 Ca 0.43 -0.57 -0.12 0.00 0.05 0.00 0.00 54.13 53.92 1v5l s LEU 21 Cb -0.03 -0.22 0.03 0.00 -2.05 0.00 0.00 46.19 43.93 1v5l s LEU 21 CO 0.26 -0.19 0.35 -0.55 -0.55 0.00 0.00 176.35 175.67 1v5l s SER 22 N -1.64 -0.36 0.00 1.48 0.15 0.38 -4.49 113.70 109.22 1v5l s SER 22 Ca -0.08 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1v5l s SER 22 Cb -0.10 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1v5l s SER 22 CO 0.01 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1v5l n GLY 23 N 2.81 -0.38 0.00 9.45 0.00 -1.26 -0.56 105.19 115.25 1v5l n GLY 23 Ca -0.13 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 4.12 0.30 -0.02 0.00 0.24 -4.39 105.19 105.45 1v5l n GLY 24 Ca 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 46.02 45.20 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 4.01 0.27 0.14 -0.61 3.07 -1.73 0.06 117.51 122.71 1v5l h ILE 25 Ca 0.00 -0.18 -0.29 0.00 1.55 0.00 0.00 64.86 65.94 1v5l h ILE 25 Cb 0.00 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 1v5l h ILE 25 CO 0.00 0.03 -1.39 -2.24 -1.05 0.00 0.00 178.15 173.50 1v5l h ASP 26 N 0.00 0.46 -0.19 2.16 2.03 -1.88 -3.24 116.42 115.76 1v5l h ASP 26 Ca -0.00 -0.54 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 1v5l h ASP 26 Cb 0.13 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1v5l h ASP 26 CO 0.00 1.44 0.00 0.49 -1.03 0.00 0.00 179.24 180.14 1v5l n PHE 27 N -3.52 0.27 -2.67 4.15 3.72 -0.73 -4.87 117.46 113.80 1v5l n PHE 27 Ca -0.13 -0.13 -0.20 0.00 -0.05 0.00 0.00 57.45 56.95 1v5l n PHE 27 Cb 1.04 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.07 -5.60 -3.89 4.37 3.02 -0.97 -4.87 115.26 107.39 1v5l n ASN 28 Ca 0.07 -0.15 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 1v5l n ASN 28 Cb 0.18 -4.53 -0.11 0.00 -0.61 0.00 0.00 39.78 34.70 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 -5.29 0.31 0.41 3.52 -0.21 -0.07 -4.99 119.66 113.35 1v5l s GLN 29 Ca 0.15 -0.29 -0.25 0.00 0.02 0.00 0.00 55.36 54.99 1v5l s GLN 29 Cb -0.06 0.13 -0.08 0.00 1.00 0.00 0.00 33.01 33.99 1v5l s GLN 29 CO 0.18 -0.06 1.18 -1.25 -2.12 0.00 0.00 175.29 173.22 1v5l s PRO 30 N -0.95 3.99 -0.78 2.91 0.04 -1.26 0.83 135.00 139.78 1v5l s PRO 30 Ca -0.10 1.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.54 1v5l s PRO 30 Cb -0.06 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1v5l s PRO 30 CO 0.00 -0.38 1.58 -0.51 0.04 0.00 0.00 177.00 177.73 1v5l s LEU 31 N -2.58 3.26 0.42 -3.56 1.43 -1.25 -4.00 118.68 112.40 1v5l s LEU 31 Ca 0.58 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1v5l s LEU 31 Cb -0.31 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 1v5l s LEU 31 CO 0.39 -2.07 0.34 0.68 0.23 0.00 0.00 176.35 175.93 1v5l s VAL 32 N 7.21 2.56 0.05 -1.59 -7.23 0.27 -0.06 120.40 121.60 1v5l s VAL 32 Ca 0.51 -1.41 -0.24 0.00 -1.81 0.00 0.00 61.98 59.03 1v5l s VAL 32 Cb -0.08 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 33.84 1v5l s VAL 32 CO 0.10 0.00 0.73 -0.63 -0.31 0.00 0.00 175.10 174.99 1v5l s ILE 33 N -2.51 4.74 -0.05 -0.62 1.01 -1.21 0.14 121.20 122.70 1v5l s ILE 33 Ca 0.46 1.56 -0.04 0.00 0.00 0.00 0.00 60.65 62.63 1v5l s ILE 33 Cb -0.02 -4.08 -0.27 0.00 0.01 0.00 0.00 42.46 38.10 1v5l s ILE 33 CO 0.27 0.39 0.66 0.71 0.00 0.00 0.00 174.94 176.97 1v5l h THR 34 N 4.05 0.92 -2.20 2.92 1.35 -1.78 -2.98 112.91 115.19 1v5l h THR 34 Ca -0.44 -2.60 -0.04 0.00 -0.55 0.00 0.00 66.41 62.78 1v5l h THR 34 Cb 1.20 2.65 -0.18 0.00 -1.73 0.00 0.00 68.15 70.10 1v5l h THR 34 CO 0.70 0.81 0.22 -0.60 -0.25 0.00 0.00 175.52 176.40 1v5l s ARG 35 N -2.59 1.08 -0.06 4.72 3.00 -1.26 -4.84 118.95 119.01 1v5l s ARG 35 Ca -0.14 0.08 0.06 0.00 -1.00 0.00 0.00 55.73 54.73 1v5l s ARG 35 Cb 0.07 0.51 -0.01 0.00 0.00 0.00 0.00 34.95 35.51 1v5l s ARG 35 CO 0.83 -0.37 -0.23 0.42 0.00 0.00 0.00 175.30 175.94 1v5l s ILE 36 N -1.79 1.90 -0.08 4.11 -1.09 -1.26 -1.99 121.20 121.00 1v5l s ILE 36 Ca -0.08 -0.98 -0.29 0.00 -2.23 0.00 0.00 60.65 57.07 1v5l s ILE 36 Cb -0.00 -1.61 -0.06 0.00 -1.58 0.00 0.00 42.46 39.20 1v5l s ILE 36 CO 0.04 0.53 1.86 -0.89 -1.23 0.00 0.00 174.94 175.25 1v5l s THR 37 N -0.10 3.30 -0.28 2.92 2.01 -0.91 -4.86 115.64 117.73 1v5l s THR 37 Ca -0.04 0.35 -0.29 0.00 0.31 0.00 0.00 61.69 62.02 1v5l s THR 37 Cb -0.13 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1v5l s THR 37 CO 0.03 -0.08 1.65 -2.16 -0.69 0.00 0.00 174.62 173.38 1v5l s PRO 38 N 4.70 3.63 -0.21 4.92 0.04 -1.26 -2.62 135.00 144.20 1v5l s PRO 38 Ca 0.83 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 1v5l s PRO 38 Cb -0.35 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 1v5l s PRO 38 CO 0.35 -1.50 0.19 0.41 0.04 0.00 0.00 177.00 176.48 1v5l n GLY 39 N 4.95 -0.04 2.02 0.56 0.00 -1.26 -5.02 105.19 106.40 1v5l n GLY 39 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.54 -0.99 0.26 1.61 3.41 -1.24 -4.98 113.62 110.15 1v5l n SER 40 Ca -0.01 -1.57 0.18 0.00 -0.26 0.00 0.00 58.87 57.22 1v5l n SER 40 Cb 0.51 1.62 0.90 0.00 -0.26 0.00 0.00 64.21 66.98 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 -1.88 0.46 116.57 121.04 1v5l h LYS 41 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 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 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 1v5l n ALA 42 N -2.18 -0.11 -0.33 3.86 0.00 -1.25 -3.09 120.51 117.41 1v5l n ALA 42 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1v5l n ALA 42 Cb 0.31 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 1.13 0.00 0.00 0.00 -1.39 -0.91 119.26 116.09 1v5l h ALA 43 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1v5l h ALA 43 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1v5l h ALA 43 CO 0.00 0.57 0.01 0.00 0.00 0.00 0.00 179.25 179.82 1v5l n ALA 44 N -2.36 1.03 -0.45 0.00 0.00 0.16 -0.42 120.51 118.48 1v5l n ALA 44 Ca 0.10 0.20 0.07 0.00 0.00 0.00 0.00 53.44 53.81 1v5l n ALA 44 Cb 0.04 -1.31 0.33 0.00 0.00 0.00 0.00 19.45 18.51 1v5l n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5l n ALA 45 N -1.78 3.28 -2.72 0.00 0.00 -0.36 -4.90 120.51 114.04 1v5l n ALA 45 Ca -0.01 -1.49 -0.15 0.00 0.00 0.00 0.00 53.44 51.79 1v5l n ALA 45 Cb 0.04 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 0.82 -4.70 -4.84 0.00 3.02 0.45 -4.94 115.26 105.06 1v5l n ASN 46 Ca 0.23 -0.18 -0.35 0.00 -0.03 0.00 0.00 54.58 54.25 1v5l n ASN 46 Cb 0.90 -3.60 -0.06 0.00 -0.61 0.00 0.00 39.78 36.41 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 -4.71 4.34 -0.10 3.41 1.43 -1.17 -5.05 118.68 116.83 1v5l s LEU 47 Ca 0.18 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.27 1v5l s LEU 47 Cb -0.08 -3.32 0.03 0.00 0.03 0.00 0.00 46.19 42.85 1v5l s LEU 47 CO 0.23 0.09 0.36 0.00 0.23 0.00 0.00 176.35 177.26 1v5l s PRO 49 N -0.33 2.63 0.00 0.00 0.04 -1.26 -3.10 135.00 132.97 1v5l s PRO 49 Ca -0.05 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1v5l s PRO 49 Cb -0.03 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.12 1v5l s PRO 49 CO 0.02 -2.73 0.00 0.41 0.04 0.00 0.00 177.00 174.74 1v5l n GLY 50 N 5.70 0.36 3.72 0.56 0.00 -1.13 -4.91 105.19 109.49 1v5l n GLY 50 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 4.01 -0.25 1.61 1.01 -1.18 -4.77 116.67 117.09 1v5l s ASP 51 Ca 0.00 2.24 -0.08 0.00 0.71 0.00 0.00 52.55 55.42 1v5l s ASP 51 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1v5l s ASP 51 CO 0.00 -2.38 0.10 -0.69 0.21 0.00 0.00 175.17 172.41 1v5l s VAL 52 N -2.25 4.64 -0.94 -1.27 1.01 -1.26 -3.35 120.40 116.98 1v5l s VAL 52 Ca 0.71 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 1v5l s VAL 52 Cb -0.26 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 32.97 1v5l s VAL 52 CO 0.49 0.32 1.54 -0.63 0.00 0.00 0.00 175.10 176.83 1v5l s ILE 53 N 1.54 3.77 0.11 2.22 -1.09 0.92 -2.54 121.20 126.13 1v5l s ILE 53 Ca 0.06 -0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 57.85 1v5l s ILE 53 Cb -0.15 -4.78 -0.05 0.00 -1.58 0.00 0.00 42.46 35.90 1v5l s ILE 53 CO 0.05 -1.69 1.53 -0.07 -1.23 0.00 0.00 174.94 173.54 1v5l h LEU 54 N 14.00 0.60 -7.53 2.97 3.38 -1.11 -3.42 115.31 124.20 1v5l h LEU 54 Ca 0.09 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 1v5l h LEU 54 Cb 1.02 -0.16 -0.24 0.00 0.09 0.00 0.00 40.66 41.37 1v5l h LEU 54 CO 1.36 0.79 -0.40 0.00 0.09 0.00 0.00 178.44 180.27 1v5l s ALA 55 N -4.91 -0.61 -0.15 1.53 0.00 -1.19 -2.29 121.76 114.14 1v5l s ALA 55 Ca -0.13 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1v5l s ALA 55 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1v5l s ALA 55 CO 0.78 -0.16 0.05 0.42 0.00 0.00 0.00 175.76 176.84 1v5l s ILE 56 N -0.40 4.66 -1.68 0.00 1.01 0.11 -1.81 121.20 123.10 1v5l s ILE 56 Ca -0.05 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.36 1v5l s ILE 56 Cb -0.03 -3.06 0.13 0.00 0.01 0.00 0.00 42.46 39.51 1v5l s ILE 56 CO 0.01 0.51 0.60 -0.67 0.00 0.00 0.00 174.94 175.40 1v5l n ASP 57 N 3.06 -2.05 -0.96 3.58 2.03 -0.30 0.12 116.55 122.03 1v5l n ASP 57 Ca -0.17 -1.09 -0.09 0.00 0.52 0.00 0.00 54.79 53.95 1v5l n ASP 57 Cb 0.53 -2.43 -0.01 0.00 -0.72 0.00 0.00 41.12 38.49 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 -1.55 0.24 2.64 0.27 0.00 -0.86 -4.81 105.19 101.12 1v5l n GLY 58 Ca -0.02 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.43 0.64 0.63 1.61 0.08 0.31 -5.11 117.98 113.72 1v5l s PHE 59 Ca 0.00 -0.80 -0.17 0.00 0.12 0.00 0.00 56.93 56.07 1v5l s PHE 59 Cb 0.00 -0.97 -0.09 0.00 -0.57 0.00 0.00 43.02 41.38 1v5l s PHE 59 CO 0.00 -0.68 0.25 0.41 -0.10 0.00 0.00 175.22 175.10 1v5l n GLY 60 N 5.16 -2.22 2.55 4.36 0.00 -1.26 0.06 105.19 113.83 1v5l n GLY 60 Ca -0.07 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.91 3.52 -0.05 2.61 -2.24 -0.97 -4.62 114.28 110.62 1v5l n THR 61 Ca 0.09 -3.60 -0.08 0.00 -2.27 0.00 0.00 64.05 58.19 1v5l n THR 61 Cb 0.49 -1.19 0.09 0.00 -2.10 0.00 0.00 70.33 67.61 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 2.42 0.69 0.00 -0.78 -0.00 -1.89 -3.27 114.58 111.74 1v5l h GLU 62 Ca 0.57 -0.31 -0.04 0.00 -0.00 0.00 0.00 59.36 59.58 1v5l h GLU 62 Cb 0.54 -0.01 -0.08 0.00 -0.00 0.00 0.00 28.75 29.20 1v5l h GLU 62 CO 1.47 0.91 -0.47 0.45 -0.00 0.00 0.00 179.01 181.37 1v5l n SER 63 N -4.07 1.52 -4.19 3.06 2.88 -1.26 -4.99 113.62 106.57 1v5l n SER 63 Ca -0.01 -3.06 -0.37 0.00 -1.33 0.00 0.00 58.87 54.11 1v5l n SER 63 Cb 0.48 -0.41 -0.12 0.00 -0.75 0.00 0.00 64.21 63.40 1v5l n SER 63 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1v5l s MET 64 N -2.07 2.34 0.83 -1.46 -2.45 -1.23 -5.07 119.30 110.18 1v5l s MET 64 Ca 0.31 -1.47 -0.12 0.00 -1.25 0.00 0.00 55.69 53.15 1v5l s MET 64 Cb 0.30 -3.46 0.09 0.00 1.25 0.00 0.00 34.83 33.01 1v5l s MET 64 CO -0.05 -0.84 1.16 0.95 1.05 0.00 0.00 175.02 177.29 1v5l s THR 65 N 1.27 2.10 0.20 10.11 -4.23 -1.26 -4.29 115.64 119.54 1v5l s THR 65 Ca 0.01 0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.41 1v5l s THR 65 Cb -0.21 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.86 1v5l s THR 65 CO -0.01 -0.04 1.64 -0.74 -0.54 0.00 0.00 174.62 174.92 1v5l h HIS 66 N -1.15 -0.32 -0.86 3.99 2.76 -1.90 0.18 115.15 117.86 1v5l h HIS 66 Ca -0.47 0.05 0.05 0.00 -2.20 0.00 0.00 60.37 57.80 1v5l h HIS 66 Cb 1.33 0.23 -0.05 0.00 1.55 0.00 0.00 27.41 30.46 1v5l h HIS 66 CO 0.32 -0.25 0.56 0.00 -1.30 0.00 0.00 177.93 177.26 1v5l h ALA 67 N 1.55 1.50 -0.44 5.26 0.00 -1.92 -2.12 119.26 123.08 1v5l h ALA 67 Ca 0.27 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1v5l h ALA 67 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1v5l h ALA 67 CO -0.58 0.39 -0.16 -0.44 0.00 0.00 0.00 179.25 178.46 1v5l h ASP 68 N 1.02 0.91 -0.96 0.00 3.32 -1.12 -2.97 116.42 116.63 1v5l h ASP 68 Ca 0.35 -0.38 0.20 0.00 0.02 0.00 0.00 57.03 57.22 1v5l h ASP 68 Cb 0.10 -0.25 -0.08 0.00 0.22 0.00 0.00 39.33 39.32 1v5l h ASP 68 CO -0.11 1.09 0.61 0.00 -1.72 0.00 0.00 179.24 179.11 1v5l h ALA 69 N 0.85 2.00 -0.22 3.45 0.00 -0.16 0.36 119.26 125.54 1v5l h ALA 69 Ca 0.11 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1v5l h ALA 69 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1v5l h ALA 69 CO 0.05 -0.33 -0.12 1.96 0.00 0.00 0.00 179.25 180.82 1v5l h GLN 70 N 0.55 0.36 0.00 0.00 1.08 -1.39 0.47 115.11 116.18 1v5l h GLN 70 Ca 0.52 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1v5l h GLN 70 Cb 1.08 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1v5l h GLN 70 CO -0.26 0.49 -0.71 -3.47 -0.95 0.00 0.00 178.83 173.93 1v5l n ASP 71 N -4.24 0.64 -0.02 1.46 -0.08 0.89 -2.92 116.55 112.29 1v5l n ASP 71 Ca -0.00 -0.02 0.02 0.00 -1.51 0.00 0.00 54.79 53.28 1v5l n ASP 71 Cb 0.29 0.33 -0.13 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.98 0.65 0.04 -0.67 5.12 0.85 -3.61 116.66 117.07 1v5l n ARG 72 Ca 0.03 0.01 -0.22 0.00 -1.93 0.00 0.00 57.85 55.74 1v5l n ARG 72 Cb 0.42 -1.63 -0.14 0.00 -1.16 0.00 0.00 32.46 29.95 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 0.00 0.91 -0.23 0.55 2.04 -0.20 -3.29 117.51 117.30 1v5l h ILE 73 Ca -0.21 -2.45 -0.11 0.00 1.00 0.00 0.00 64.86 63.09 1v5l h ILE 73 Cb 1.54 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 40.32 1v5l h ILE 73 CO 0.02 0.82 -0.35 0.07 0.00 0.00 0.00 178.15 178.71 1v5l h LYS 74 N -0.03 0.48 -0.70 2.37 2.10 -1.73 -2.51 116.57 116.56 1v5l h LYS 74 Ca -0.35 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.08 1v5l h LYS 74 Cb 1.99 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 1v5l h LYS 74 CO 0.13 0.77 0.00 0.00 -2.00 0.00 0.00 179.45 178.35 1v5l n ALA 75 N -2.49 2.84 -0.95 0.07 0.00 -1.24 -4.90 120.51 113.84 1v5l n ALA 75 Ca -0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 1v5l n ALA 75 Cb 0.47 -1.03 0.13 0.00 0.00 0.00 0.00 19.45 19.03 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 0.22 -1.95 -2.05 0.00 0.00 -0.95 -5.02 120.51 110.76 1v5l n ALA 76 Ca 0.09 -0.83 -0.20 0.00 0.00 0.00 0.00 53.44 52.50 1v5l n ALA 76 Cb 0.48 -0.06 0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.94 5.11 0.61 0.00 0.01 -1.26 -4.93 113.70 110.29 1v5l s SER 77 Ca 0.36 -0.85 0.27 0.00 1.31 0.00 0.00 55.95 57.05 1v5l s SER 77 Cb -0.04 0.26 0.99 0.00 0.21 0.00 0.00 66.02 67.45 1v5l s SER 77 CO 0.28 -1.31 1.37 0.10 0.41 0.00 0.00 173.24 174.09 1v5l h TYR 78 N 0.22 0.00 -3.54 2.43 -0.00 -1.96 -3.35 116.97 110.77 1v5l h TYR 78 Ca -0.30 0.00 -0.31 0.00 -0.00 0.00 0.00 58.73 58.11 1v5l h TYR 78 Cb 1.29 0.00 -0.33 0.00 -0.00 0.00 0.00 36.73 37.69 1v5l h TYR 78 CO 0.46 0.00 -0.74 1.14 -0.00 0.00 0.00 178.16 179.02 1v5l s GLN 79 N -4.47 0.13 -0.24 0.10 -2.07 -1.26 0.16 119.66 112.01 1v5l s GLN 79 Ca -0.03 0.11 -0.20 0.00 -1.82 0.00 0.00 55.36 53.43 1v5l s GLN 79 Cb 0.14 -0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 31.71 1v5l s GLN 79 CO 0.49 -0.13 0.59 -1.17 -1.32 0.00 0.00 175.29 173.75 1v5l s LEU 80 N 0.92 4.08 -0.75 2.60 2.96 -0.78 -4.90 118.68 122.82 1v5l s LEU 80 Ca -0.08 0.69 -0.14 0.00 -0.22 0.00 0.00 54.13 54.38 1v5l s LEU 80 Cb -0.12 -2.80 0.20 0.00 0.50 0.00 0.00 46.19 43.96 1v5l s LEU 80 CO -0.02 -0.31 0.68 0.00 -1.32 0.00 0.00 176.35 175.38 1v5l s LEU 82 N 0.47 4.05 -0.47 0.00 1.43 0.42 -1.15 118.68 123.42 1v5l s LEU 82 Ca 0.15 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.29 1v5l s LEU 82 Cb -0.15 -2.34 0.04 0.00 0.03 0.00 0.00 46.19 43.76 1v5l s LEU 82 CO -0.06 -0.13 0.59 -0.75 0.23 0.00 0.00 176.35 176.24 1v5l s LYS 83 N 1.86 3.16 0.46 1.70 2.20 -0.75 -2.22 119.74 126.16 1v5l s LYS 83 Ca 0.13 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1v5l s LYS 83 Cb -0.16 -4.03 -0.02 0.00 -1.51 0.00 0.00 37.83 32.11 1v5l s LYS 83 CO 0.10 -1.09 0.73 0.96 -0.36 0.00 0.00 175.35 175.68 1v5l s ILE 84 N 2.58 4.53 -1.17 5.43 -4.36 -0.13 -0.52 121.20 127.56 1v5l s ILE 84 Ca 0.16 -0.14 0.25 0.00 -0.26 0.00 0.00 60.65 60.66 1v5l s ILE 84 Cb -0.17 -3.71 0.03 0.00 1.25 0.00 0.00 42.46 39.86 1v5l s ILE 84 CO 0.14 -0.60 1.38 -0.90 0.24 0.00 0.00 174.94 175.20 1v5l n ASP 85 N -2.17 0.69 -4.24 4.36 5.75 -1.05 -1.96 116.55 117.93 1v5l n ASP 85 Ca 0.00 -0.48 -0.32 0.00 -0.01 0.00 0.00 54.79 53.98 1v5l n ASP 85 Cb 0.56 0.31 -0.07 0.00 -1.03 0.00 0.00 41.12 40.90 1v5l n ASP 85 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1v5l n ARG 86 N -1.30 -1.80 -3.70 0.11 1.74 -1.26 -4.67 116.66 105.78 1v5l n ARG 86 Ca 0.07 0.21 -0.29 0.00 -0.77 0.00 0.00 57.85 57.07 1v5l n ARG 86 Cb 0.34 -4.16 -0.10 0.00 -1.02 0.00 0.00 32.46 27.52 1v5l n ARG 86 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1v5l n ALA 87 N -4.44 3.72 -0.28 7.54 0.00 -1.26 -4.94 120.51 120.86 1v5l n ALA 87 Ca -0.22 -4.62 0.08 0.00 0.00 0.00 0.00 53.44 48.67 1v5l n ALA 87 Cb 0.64 -1.14 0.19 0.00 0.00 0.00 0.00 19.45 19.14 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 5.14 0.11 -1.89 0.00 4.11 -1.95 0.32 114.58 120.42 1v5l h GLU 88 Ca 0.17 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.54 1v5l h GLU 88 Cb 0.73 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1v5l h GLU 88 CO 0.79 0.07 0.07 2.41 0.07 0.00 0.00 179.01 182.42 1v5l n THR 89 N -5.35 2.09 -0.77 -1.06 -1.04 -1.26 -4.62 114.28 102.27 1v5l n THR 89 Ca 0.16 -0.67 -0.08 0.00 -2.04 0.00 0.00 64.05 61.42 1v5l n THR 89 Cb 0.54 -1.45 -0.11 0.00 -1.82 0.00 0.00 70.33 67.48 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 1.27 1.54 -0.10 -2.82 1.85 0.11 -4.02 116.66 114.49 1v5l n ARG 90 Ca 0.05 -0.66 -0.17 0.00 -1.00 0.00 0.00 57.85 56.06 1v5l n ARG 90 Cb 0.52 -1.73 -0.06 0.00 -1.05 0.00 0.00 32.46 30.14 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 2.32 1.87 -1.41 2.89 0.00 -1.26 -4.76 117.00 116.64 1v5l n LEU 91 Ca 0.29 0.32 -0.01 0.00 0.00 0.00 0.00 56.01 56.60 1v5l n LEU 91 Cb 0.72 -0.74 0.10 0.00 0.00 0.00 0.00 43.42 43.50 1v5l n LEU 91 CO 0.10 0.09 0.20 1.87 0.00 0.00 0.00 177.39 179.64 1v5l n TRP 92 N -4.30 0.69 -2.38 1.96 -0.00 -1.26 -5.06 117.44 107.10 1v5l n TRP 92 Ca -0.31 -1.45 -0.43 0.00 -0.00 0.00 0.00 57.50 55.32 1v5l n TRP 92 Cb 0.66 -0.24 -0.02 0.00 -0.00 0.00 0.00 31.31 31.71 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 -3.04 6.94 0.43 5.87 0.01 -1.26 -4.91 113.70 117.74 1v5l s SER 93 Ca 0.38 1.81 0.22 0.00 1.31 0.00 0.00 55.95 59.66 1v5l s SER 93 Cb 0.38 -2.54 0.93 0.00 0.21 0.00 0.00 66.02 65.00 1v5l s SER 93 CO -0.07 -0.73 1.85 1.55 0.41 0.00 0.00 173.24 176.25 1v5l h PRO 94 N 8.09 0.00 0.00 12.44 0.13 -1.97 -3.45 132.00 147.24 1v5l h PRO 94 Ca -0.30 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.26 1v5l h PRO 94 Cb 1.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.15 1v5l h PRO 94 CO 0.94 0.27 -0.44 0.00 -0.23 0.00 0.00 178.00 178.55 1v5l n GLN 95 N -3.58 0.76 -3.63 0.86 10.64 -1.26 -5.17 117.38 115.99 1v5l n GLN 95 Ca -0.01 -3.32 -0.07 0.00 -1.83 0.00 0.00 57.00 51.77 1v5l n GLN 95 Cb 0.41 1.27 -0.06 0.00 -0.86 0.00 0.00 30.24 30.99 1v5l n GLN 95 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1v5l s VAL 96 N -2.81 0.00 -0.48 -0.39 0.11 -1.26 -5.10 120.40 110.47 1v5l s VAL 96 Ca 0.08 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.82 1v5l s VAL 96 Cb 0.00 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.70 1v5l s VAL 96 CO 0.06 0.00 1.75 -0.24 -3.33 0.00 0.00 175.10 173.33 1v5l n SER 97 N 1.66 0.48 0.09 3.54 2.88 -1.26 -4.82 113.62 116.18 1v5l n SER 97 Ca -0.11 0.42 -0.04 0.00 -1.33 0.00 0.00 58.87 57.81 1v5l n SER 97 Cb 0.57 -0.69 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 1v5l n SER 97 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1v5l h SER 98 N 7.47 -0.21 -5.07 -3.46 0.02 -1.93 -3.49 113.55 106.88 1v5l h SER 98 Ca -0.07 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1v5l h SER 98 Cb 1.06 0.05 0.05 0.00 0.14 0.00 0.00 62.40 63.70 1v5l h SER 98 CO 0.89 -0.10 -0.21 0.61 -1.14 0.00 0.00 176.83 176.88 1v5l n GLY 99 N -0.06 -1.05 3.60 -3.77 0.00 -1.26 -5.02 105.19 97.63 1v5l n GLY 99 Ca -0.03 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.34 -1.04 -0.30 1.61 0.04 -1.26 -5.08 135.00 125.63 1v5l s PRO 100 Ca 0.11 -0.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.00 1v5l s PRO 100 Cb -0.01 -1.61 0.18 0.00 0.04 0.00 0.00 34.50 33.09 1v5l s PRO 100 CO 0.65 -3.61 1.06 -1.54 0.04 0.00 0.00 177.00 173.60 1v5l s SER 101 N -3.84 -0.45 0.85 6.66 1.04 -1.26 -5.17 113.70 111.54 1v5l s SER 101 Ca 0.70 0.43 -0.10 0.00 0.48 0.00 0.00 55.95 57.46 1v5l s SER 101 Cb -0.11 1.44 0.11 0.00 0.10 0.00 0.00 66.02 67.56 1v5l s SER 101 CO 0.56 -0.08 1.13 -0.55 0.98 0.00 0.00 173.24 175.28 1v5l s SER 102 N 2.63 3.57 0.00 7.02 0.15 -1.26 -5.18 113.70 120.63 1v5l s SER 102 Ca -0.01 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1v5l s SER 102 Cb -0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1v5l s SER 102 CO -0.14 -2.67 0.23 0.61 1.20 0.00 0.00 173.24 172.47