#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wes s SER 2 N 0.00 0.90 0.33 1.61 0.01 -1.26 -5.13 113.70 110.15 1wes s SER 2 Ca 0.00 -1.55 -0.29 0.00 1.31 0.00 0.00 55.95 55.42 1wes s SER 2 Cb 0.00 0.49 -0.12 0.00 0.21 0.00 0.00 66.02 66.60 1wes s SER 2 CO 0.00 -0.99 1.46 -1.54 0.41 0.00 0.00 173.24 172.58 1wes n SER 3 N -0.95 3.43 -3.22 2.44 3.41 -1.26 -4.95 113.62 112.52 1wes n SER 3 Ca 0.04 1.19 -0.28 0.00 -0.26 0.00 0.00 58.87 59.56 1wes n SER 3 Cb 0.64 -1.56 -0.05 0.00 -0.26 0.00 0.00 64.21 62.98 1wes n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wes n GLY 4 N 1.23 5.26 0.20 5.00 0.00 -1.26 -4.91 105.19 110.72 1wes n GLY 4 Ca 0.05 -2.77 -0.07 0.00 0.00 0.00 0.00 46.02 43.23 1wes n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wes h SER 5 N 3.65 -0.41 -3.50 1.61 0.87 -2.07 -3.43 113.55 110.26 1wes h SER 5 Ca 0.18 0.01 -0.52 0.00 -1.23 0.00 0.00 61.79 60.23 1wes h SER 5 Cb 0.57 0.11 0.04 0.00 -0.44 0.00 0.00 62.40 62.68 1wes h SER 5 CO 0.86 -0.23 0.66 -0.55 -0.53 0.00 0.00 176.83 177.04 1wes s SER 6 N -3.30 6.84 0.00 6.23 0.15 -1.26 -4.60 113.70 117.77 1wes s SER 6 Ca -0.07 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.08 1wes s SER 6 Cb 0.01 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1wes s SER 6 CO 0.21 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1wes n GLY 7 N 1.97 0.60 3.46 9.45 0.00 -1.26 -5.14 105.19 114.28 1wes n GLY 7 Ca 0.05 -0.05 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1wes n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wes n GLU 8 N 0.00 0.28 -1.67 1.61 0.00 -1.26 -4.75 120.64 114.85 1wes n GLU 8 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 57.16 56.84 1wes n GLU 8 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 31.44 30.12 1wes n GLU 8 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1wes s PHE 9 N -0.72 1.28 -0.53 -1.84 0.40 -1.26 -4.86 117.98 110.45 1wes s PHE 9 Ca 0.70 -0.03 -0.26 0.00 -0.60 0.00 0.00 56.93 56.74 1wes s PHE 9 Cb -0.96 -4.11 -0.06 0.00 0.51 0.00 0.00 43.02 38.40 1wes s PHE 9 CO 0.56 -4.87 2.28 0.00 0.70 0.00 0.00 175.22 173.89 1wes s ALA 10 N 5.97 1.74 -0.97 5.36 0.00 -1.26 -4.89 121.76 127.70 1wes s ALA 10 Ca 0.92 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1wes s ALA 10 Cb -0.38 -4.34 0.09 0.00 0.00 0.00 0.00 23.12 18.49 1wes s ALA 10 CO 0.38 -4.36 1.28 0.42 0.00 0.00 0.00 175.76 173.48 1wes s ILE 11 N 11.51 4.35 -0.21 0.00 1.01 -1.26 -4.94 121.20 131.65 1wes s ILE 11 Ca 0.90 -1.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1wes s ILE 11 Cb -0.16 -4.91 0.06 0.00 0.01 0.00 0.00 42.46 37.46 1wes s ILE 11 CO 0.24 -1.71 0.01 1.51 0.00 0.00 0.00 174.94 174.99 1wes s ASP 12 N 4.27 3.25 0.49 3.58 -4.77 -1.26 -4.99 116.67 117.23 1wes s ASP 12 Ca 0.39 -0.98 0.27 0.00 -3.30 0.00 0.00 52.55 48.94 1wes s ASP 12 Cb -0.02 -0.78 1.15 0.00 -1.09 0.00 0.00 42.92 42.17 1wes s ASP 12 CO -0.10 -0.29 1.92 1.55 0.70 0.00 0.00 175.17 178.95 1wes h PRO 13 N 8.15 0.00 -0.68 2.11 0.13 -2.00 -3.22 132.00 136.49 1wes h PRO 13 Ca -0.16 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.11 1wes h PRO 13 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 1wes h PRO 13 CO 0.37 0.15 -0.12 -0.91 -0.23 0.00 0.00 178.00 177.26 1wes h ASN 14 N 0.00 -0.53 -3.41 1.44 4.21 -2.01 -3.37 115.58 111.90 1wes h ASN 14 Ca -0.00 0.19 -0.62 0.00 1.21 0.00 0.00 56.30 57.08 1wes h ASN 14 Cb 0.61 0.38 -0.16 0.00 -1.12 0.00 0.00 38.32 38.03 1wes h ASN 14 CO 0.02 -0.20 -0.55 -0.70 -1.29 0.00 0.00 177.43 174.70 1wes s GLU 15 N -6.20 3.97 1.15 0.81 2.12 -1.22 -5.10 118.70 114.23 1wes s GLU 15 Ca -0.14 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.66 1wes s GLU 15 Cb 0.20 -3.32 0.29 0.00 0.26 0.00 0.00 34.13 31.56 1wes s GLU 15 CO 0.74 0.16 1.02 -0.35 -0.54 0.00 0.00 175.26 176.30 1wes n PRO 16 N 3.91 -3.02 -4.29 4.30 -0.04 -1.26 -4.85 135.00 129.74 1wes n PRO 16 Ca -0.16 -1.64 -0.30 0.00 -0.04 0.00 0.00 63.50 61.37 1wes n PRO 16 Cb 0.52 -1.54 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 1wes n PRO 16 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wes s THR 17 N -2.85 3.03 0.14 0.52 -4.23 -1.26 -4.28 115.64 106.71 1wes s THR 17 Ca 0.67 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1wes s THR 17 Cb -0.07 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1wes s THR 17 CO 0.51 0.11 0.00 -1.22 -0.54 0.00 0.00 174.62 173.48 1wes n TYR 18 N 0.79 -1.08 -1.00 3.99 4.02 -1.10 -4.91 117.16 117.88 1wes n TYR 18 Ca -0.15 0.19 -0.36 0.00 -0.01 0.00 0.00 57.90 57.57 1wes n TYR 18 Cb 0.52 0.36 0.04 0.00 -0.02 0.00 0.00 39.34 40.24 1wes n TYR 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wes h LEU 20 N -1.01 0.00 -0.03 0.00 3.38 -1.95 -0.59 115.31 115.10 1wes h LEU 20 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1wes h LEU 20 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1wes h LEU 20 CO 0.23 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.87 1wes n ASN 22 N -0.48 -2.79 -4.50 0.00 0.23 -0.23 -4.98 115.26 102.51 1wes n ASN 22 Ca 0.00 -1.02 -0.24 0.00 -0.53 0.00 0.00 54.58 52.79 1wes n ASN 22 Cb 0.01 -3.17 -0.10 0.00 -2.08 0.00 0.00 39.78 34.44 1wes n ASN 22 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1wes s GLN 23 N -6.32 1.71 0.06 -3.83 -1.52 -1.26 -4.87 119.66 103.64 1wes s GLN 23 Ca 0.24 -1.89 -0.23 0.00 -1.95 0.00 0.00 55.36 51.52 1wes s GLN 23 Cb -0.09 -1.41 -0.06 0.00 -0.22 0.00 0.00 33.01 31.23 1wes s GLN 23 CO 0.88 0.05 0.70 0.14 -0.25 0.00 0.00 175.29 176.81 1wes s VAL 24 N -2.84 4.69 -0.00 1.09 -7.23 -1.26 -2.73 120.40 112.12 1wes s VAL 24 Ca 0.32 1.50 -0.39 0.00 -1.81 0.00 0.00 61.98 61.59 1wes s VAL 24 Cb 0.04 -4.05 -0.19 0.00 0.56 0.00 0.00 36.38 32.75 1wes s VAL 24 CO 0.15 0.44 1.19 -0.24 -0.31 0.00 0.00 175.10 176.33 1wes n SER 25 N 2.36 0.60 0.00 4.85 2.88 -1.26 -4.83 113.62 118.21 1wes n SER 25 Ca -0.05 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1wes n SER 25 Cb 0.50 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1wes n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wes n TYR 26 N 2.01 0.00 -3.77 0.66 0.18 -1.26 -5.13 117.16 109.84 1wes n TYR 26 Ca 0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.98 1wes n TYR 26 Cb 0.11 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.07 1wes n TYR 26 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wes n GLY 27 N 1.70 4.74 3.75 -7.48 0.00 -1.26 -5.11 105.19 101.53 1wes n GLY 27 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1wes n GLY 27 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wes n GLU 28 N 0.00 2.52 -4.25 1.61 0.00 -1.26 -4.92 120.64 114.34 1wes n GLU 28 Ca 0.00 0.88 -0.14 0.00 0.00 0.00 0.00 57.16 57.91 1wes n GLU 28 Cb 0.00 -2.58 -0.10 0.00 0.00 0.00 0.00 31.44 28.76 1wes n GLU 28 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1wes s MET 29 N -1.87 1.23 0.18 3.44 -1.94 -1.26 -2.53 119.30 116.54 1wes s MET 29 Ca 0.55 -1.64 0.07 0.00 -1.71 0.00 0.00 55.69 52.97 1wes s MET 29 Cb -0.51 -0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.23 1wes s MET 29 CO 0.62 -0.28 -0.15 0.96 -0.01 0.00 0.00 175.02 176.16 1wes s ILE 30 N -3.88 1.63 -0.56 2.53 -0.00 -1.14 -4.90 121.20 114.88 1wes s ILE 30 Ca 0.33 -2.07 -0.09 0.00 -0.00 0.00 0.00 60.65 58.81 1wes s ILE 30 Cb 0.07 -1.91 0.14 0.00 -0.00 0.00 0.00 42.46 40.76 1wes s ILE 30 CO 0.10 -0.54 0.44 -0.83 -0.00 0.00 0.00 174.94 174.11 1wes s GLY 31 N -3.06 2.23 -0.36 6.27 0.00 -1.25 -3.03 107.32 108.11 1wes s GLY 31 Ca 0.19 -2.79 -0.33 0.00 0.00 0.00 0.00 44.72 41.78 1wes s GLY 31 CO 0.06 1.14 1.19 0.00 0.00 0.00 0.00 173.10 175.48 1wes n ASP 33 N 3.16 0.22 -4.56 0.00 -0.08 -0.06 -3.82 116.55 111.42 1wes n ASP 33 Ca 0.24 1.14 -0.39 0.00 -1.51 0.00 0.00 54.79 54.28 1wes n ASP 33 Cb -0.04 -0.55 -0.03 0.00 2.34 0.00 0.00 41.12 42.84 1wes n ASP 33 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1wes s ASN 34 N -4.69 5.15 0.12 1.67 2.47 -1.26 -4.86 114.94 113.53 1wes s ASN 34 Ca -0.06 0.66 -0.28 0.00 0.42 0.00 0.00 52.86 53.59 1wes s ASN 34 Cb 0.23 -2.52 -0.08 0.00 -1.45 0.00 0.00 41.25 37.43 1wes s ASN 34 CO 0.54 -2.41 1.61 -0.33 -3.72 0.00 0.00 177.10 172.79 1wes h GLU 35 N 15.78 -0.52 -0.98 0.43 5.08 -1.94 -1.60 114.58 130.83 1wes h GLU 35 Ca -0.27 0.04 0.40 0.00 -1.00 0.00 0.00 59.36 58.52 1wes h GLU 35 Cb 1.19 0.12 -0.16 0.00 0.50 0.00 0.00 28.75 30.40 1wes h GLU 35 CO 1.18 -0.35 0.55 1.04 -1.00 0.00 0.00 179.01 180.43 1wes n GLN 36 N -5.42 -0.05 -1.48 2.33 6.02 -1.26 -4.51 117.38 113.01 1wes n GLN 36 Ca -0.06 1.25 -0.60 0.00 -0.01 0.00 0.00 57.00 57.58 1wes n GLN 36 Cb 0.33 -2.28 -0.10 0.00 1.02 0.00 0.00 30.24 29.22 1wes n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wes n PRO 38 N 4.47 0.17 -0.10 0.00 -0.04 -1.26 -3.54 135.00 134.69 1wes n PRO 38 Ca 0.34 0.40 -0.17 0.00 -0.04 0.00 0.00 63.50 64.03 1wes n PRO 38 Cb -0.05 -1.83 -0.07 0.00 -0.04 0.00 0.00 33.50 31.52 1wes n PRO 38 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1wes n ILE 39 N -2.15 1.50 -2.37 0.52 5.41 -1.26 -4.92 119.36 116.09 1wes n ILE 39 Ca 0.02 -0.04 -0.07 0.00 1.00 0.00 0.00 62.75 63.66 1wes n ILE 39 Cb 0.22 -2.15 -0.01 0.00 -0.71 0.00 0.00 39.64 36.99 1wes n ILE 39 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1wes n GLU 40 N -4.42 -2.13 -3.44 0.38 4.07 -1.23 -4.77 120.64 109.09 1wes n GLU 40 Ca -0.29 0.02 0.01 0.00 -0.06 0.00 0.00 57.16 56.84 1wes n GLU 40 Cb 0.62 -3.39 -0.03 0.00 -0.06 0.00 0.00 31.44 28.57 1wes n GLU 40 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1wes s TRP 41 N -1.74 -1.23 0.04 4.31 0.52 -1.17 -3.90 118.94 115.77 1wes s TRP 41 Ca 0.13 1.83 -0.09 0.00 0.02 0.00 0.00 56.10 57.99 1wes s TRP 41 Cb -0.08 0.63 0.00 0.00 -1.15 0.00 0.00 33.47 32.87 1wes s TRP 41 CO 0.16 -0.63 0.19 -0.06 0.02 0.00 0.00 176.95 176.63 1wes s PHE 42 N 2.81 0.06 0.15 -1.98 0.40 -1.21 -2.60 117.98 115.61 1wes s PHE 42 Ca 0.02 -0.29 -0.30 0.00 -0.60 0.00 0.00 56.93 55.76 1wes s PHE 42 Cb -0.11 -0.03 -0.07 0.00 0.51 0.00 0.00 43.02 43.31 1wes s PHE 42 CO -0.19 -0.43 1.03 -1.01 0.70 0.00 0.00 175.22 175.32 1wes s HIS 43 N -2.58 3.72 0.09 0.36 3.76 -1.26 -2.87 115.29 116.51 1wes s HIS 43 Ca -0.05 1.71 -0.34 0.00 -0.15 0.00 0.00 55.06 56.23 1wes s HIS 43 Cb -0.01 -3.16 -0.15 0.00 1.11 0.00 0.00 32.58 30.37 1wes s HIS 43 CO -0.04 -0.18 1.58 0.74 -0.85 0.00 0.00 174.74 175.98 1wes h PHE 44 N 5.25 -1.30 -0.77 1.40 -1.00 -1.78 -0.64 116.94 118.09 1wes h PHE 44 Ca -0.44 0.02 0.18 0.00 2.81 0.00 0.00 57.97 60.54 1wes h PHE 44 Cb 1.21 0.52 -0.12 0.00 3.61 0.00 0.00 35.95 41.17 1wes h PHE 44 CO 0.63 -0.61 0.14 0.77 -1.61 0.00 0.00 178.31 177.63 1wes h SER 45 N -0.89 -0.09 -0.04 2.17 0.02 -1.88 0.51 113.55 113.36 1wes h SER 45 Ca -0.04 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1wes h SER 45 Cb 0.80 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1wes h SER 45 CO -0.11 -0.10 -0.00 0.00 -1.14 0.00 0.00 176.83 175.47 1wes n VAL 47 N -5.10 0.64 -3.84 0.00 0.24 -0.19 -4.86 118.33 105.21 1wes n VAL 47 Ca -0.06 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.69 1wes n VAL 47 Cb 0.04 -0.54 0.01 0.00 -1.47 0.00 0.00 33.84 31.88 1wes n VAL 47 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1wes n SER 48 N 0.13 -2.71 -4.30 -1.34 2.88 -0.04 -4.97 113.62 103.26 1wes n SER 48 Ca 0.06 -1.03 -0.30 0.00 -1.33 0.00 0.00 58.87 56.27 1wes n SER 48 Cb 0.47 -3.10 -0.15 0.00 -0.75 0.00 0.00 64.21 60.68 1wes n SER 48 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wes s LEU 49 N -6.79 2.10 -0.16 2.46 1.43 0.16 -4.98 118.68 112.91 1wes s LEU 49 Ca 0.24 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1wes s LEU 49 Cb -0.09 -1.24 -0.12 0.00 0.03 0.00 0.00 46.19 44.77 1wes s LEU 49 CO 0.88 0.27 -0.11 0.41 0.23 0.00 0.00 176.35 178.04 1wes n THR 50 N 2.16 0.92 -3.74 5.49 -1.04 -1.26 -3.75 114.28 113.06 1wes n THR 50 Ca -0.16 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.05 61.32 1wes n THR 50 Cb 0.52 -1.00 -0.09 0.00 -1.82 0.00 0.00 70.33 67.94 1wes n THR 50 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1wes s TYR 51 N -2.32 -0.25 -0.49 -1.42 1.13 -1.26 -5.08 117.35 107.66 1wes s TYR 51 Ca -0.19 0.46 -0.44 0.00 -1.41 0.00 0.00 57.07 55.49 1wes s TYR 51 Cb 0.05 0.12 -0.19 0.00 -1.10 0.00 0.00 41.96 40.85 1wes s TYR 51 CO 0.40 -0.37 2.07 1.17 -2.51 0.00 0.00 175.55 176.31 1wes n LYS 52 N 1.55 0.07 -2.19 -3.49 0.00 -1.26 -4.83 118.16 108.01 1wes n LYS 52 Ca -0.20 0.02 -0.42 0.00 0.00 0.00 0.00 58.31 57.71 1wes n LYS 52 Cb 0.56 -1.56 -0.03 0.00 0.00 0.00 0.00 35.03 34.00 1wes n LYS 52 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1wes s PRO 53 N 5.58 4.31 0.73 1.64 0.04 -1.26 -5.00 135.00 141.05 1wes s PRO 53 Ca 1.17 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 64.11 1wes s PRO 53 Cb -1.46 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 29.75 1wes s PRO 53 CO 0.67 -0.48 1.15 0.21 0.04 0.00 0.00 177.00 178.59 1wes s LYS 54 N 1.55 2.27 3.46 4.56 2.47 -1.26 -4.47 119.74 128.32 1wes s LYS 54 Ca 0.64 1.51 0.00 0.00 -1.56 0.00 0.00 55.97 56.56 1wes s LYS 54 Cb -0.35 -1.87 0.00 0.00 -1.46 0.00 0.00 37.83 34.15 1wes s LYS 54 CO 0.29 -1.68 0.00 0.41 0.16 0.00 0.00 175.35 174.53 1wes n GLY 55 N -0.21 1.62 3.26 5.54 0.00 -1.26 -4.84 105.19 109.29 1wes n GLY 55 Ca 0.11 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1wes n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wes s LYS 56 N 0.00 0.70 -0.12 1.61 0.00 -1.26 -5.11 119.74 115.56 1wes s LYS 56 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 55.97 55.78 1wes s LYS 56 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 37.83 38.17 1wes s LYS 56 CO 0.00 -0.20 -0.08 -0.46 0.00 0.00 0.00 175.35 174.61 1wes s TRP 57 N -1.41 1.52 -0.31 1.78 -0.00 -1.26 -5.01 118.94 114.25 1wes s TRP 57 Ca -0.13 -0.77 -0.10 0.00 -0.00 0.00 0.00 56.10 55.11 1wes s TRP 57 Cb -0.05 -1.25 -0.01 0.00 -0.00 0.00 0.00 33.47 32.16 1wes s TRP 57 CO 0.04 -0.52 0.15 0.71 -0.00 0.00 0.00 176.95 177.33 1wes s TYR 58 N 1.70 3.18 0.70 5.86 2.02 -1.26 -0.88 117.35 128.67 1wes s TYR 58 Ca 0.05 -0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 55.99 1wes s TYR 58 Cb -0.13 -2.35 -0.09 0.00 -0.40 0.00 0.00 41.96 38.99 1wes s TYR 58 CO -0.08 -0.46 0.13 0.00 -1.57 0.00 0.00 175.55 173.57 1wes n PRO 60 N 0.43 0.49 -0.05 0.00 -0.04 -1.26 -2.09 135.00 132.48 1wes n PRO 60 Ca 0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1wes n PRO 60 Cb 0.50 -1.42 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 1wes n PRO 60 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wes n LYS 61 N -0.92 0.67 -0.10 0.54 5.02 -1.26 -4.08 118.16 118.02 1wes n LYS 61 Ca 0.10 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 1wes n LYS 61 Cb 0.05 -1.58 -0.12 0.00 -0.02 0.00 0.00 35.03 33.35 1wes n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wes h ARG 63 N -0.59 0.00 -6.36 0.00 -0.00 -1.66 -3.41 114.38 102.36 1wes h ARG 63 Ca -0.53 0.00 -0.61 0.00 -0.00 0.00 0.00 59.98 58.85 1wes h ARG 63 Cb 1.67 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 31.52 1wes h ARG 63 CO -0.20 0.00 -0.68 0.20 -0.00 0.00 0.00 179.97 179.30 1wes s GLY 64 N -4.02 1.72 -0.66 0.08 0.00 -1.26 -5.03 107.32 98.16 1wes s GLY 64 Ca -0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.25 1wes s GLY 64 CO 0.68 -1.43 1.90 1.22 0.00 0.00 0.00 173.10 175.47 1wes n ASP 65 N -0.12 7.24 -4.47 1.64 8.00 -1.26 -4.78 116.55 122.80 1wes n ASP 65 Ca -0.10 -3.79 -0.43 0.00 0.71 0.00 0.00 54.79 51.18 1wes n ASP 65 Cb 0.55 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1wes n ASP 65 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wes s SER 66 N -1.94 6.46 0.18 -2.24 0.01 -1.26 -4.49 113.70 110.42 1wes s SER 66 Ca 0.60 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1wes s SER 66 Cb 0.48 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1wes s SER 66 CO -0.10 -1.26 0.00 0.61 0.41 0.00 0.00 173.24 172.90 1wes n GLY 67 N 5.64 -1.83 3.70 3.44 0.00 -1.26 -5.09 105.19 109.80 1wes n GLY 67 Ca 0.16 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 46.19 1wes n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wes s PRO 68 N -1.37 4.31 -0.20 1.61 0.04 -1.26 -5.01 135.00 133.11 1wes s PRO 68 Ca 0.00 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1wes s PRO 68 Cb 0.00 -3.39 0.06 0.00 0.04 0.00 0.00 34.50 31.21 1wes s PRO 68 CO 0.00 -0.49 -0.01 0.45 0.04 0.00 0.00 177.00 176.99 1wes s SER 69 N 1.46 3.23 -0.29 6.66 0.15 -1.26 -5.10 113.70 118.55 1wes s SER 69 Ca 0.64 -0.93 0.03 0.00 0.70 0.00 0.00 55.95 56.40 1wes s SER 69 Cb -0.35 -0.84 0.08 0.00 -1.71 0.00 0.00 66.02 63.21 1wes s SER 69 CO 0.29 -0.27 -0.04 -0.44 1.20 0.00 0.00 173.24 173.98 1wes s SER 70 N 1.67 4.48 0.00 5.45 0.01 -1.26 -5.33 113.70 118.71 1wes s SER 70 Ca -0.03 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.58 1wes s SER 70 Cb -0.17 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1wes s SER 70 CO -0.07 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.91