#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocv s ASN 2 N 0.00 2.02 0.49 6.12 0.01 -1.26 -4.62 114.94 117.69 1ocv s ASN 2 Ca 0.00 -0.25 -0.10 0.00 -0.71 0.00 0.00 52.86 51.79 1ocv s ASN 2 Cb 0.00 -0.69 -0.05 0.00 0.41 0.00 0.00 41.25 40.91 1ocv s ASN 2 CO 0.00 -0.15 0.87 0.42 -1.51 0.00 0.00 177.10 176.72 1ocv s THR 3 N 1.80 4.75 0.35 1.60 -4.23 -1.26 -4.51 115.64 114.15 1ocv s THR 3 Ca 0.05 0.68 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 1ocv s THR 3 Cb -0.13 -3.79 0.16 0.00 1.34 0.00 0.00 72.50 70.09 1ocv s THR 3 CO -0.07 -0.76 1.89 -0.65 -0.54 0.00 0.00 174.62 174.49 1ocv h PRO 4 N 0.62 0.47 0.10 3.99 0.11 -1.98 -2.01 132.00 133.30 1ocv h PRO 4 Ca -0.46 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 1ocv h PRO 4 Cb 1.19 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ocv h PRO 4 CO 0.62 0.51 -0.06 0.93 -0.21 0.00 0.00 178.00 179.79 1ocv h GLU 5 N 0.45 -0.16 -0.04 1.05 3.07 -1.96 -0.17 114.58 116.83 1ocv h GLU 5 Ca 0.10 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1ocv h GLU 5 Cb 0.32 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1ocv h GLU 5 CO 0.01 -0.10 -0.05 1.25 -1.40 0.00 0.00 179.01 178.72 1ocv h HIS 6 N -0.16 -0.12 -0.78 4.33 -0.00 -1.86 0.46 115.15 117.03 1ocv h HIS 6 Ca -0.01 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1ocv h HIS 6 Cb 0.14 0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.56 1ocv h HIS 6 CO -0.09 -0.08 0.49 0.52 -0.00 0.00 0.00 177.93 178.78 1ocv h MET 7 N -0.07 0.93 -0.57 5.26 2.86 -1.23 -0.28 114.93 121.83 1ocv h MET 7 Ca 0.03 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1ocv h MET 7 Cb 0.12 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1ocv h MET 7 CO -0.08 0.62 0.20 1.15 1.06 0.00 0.00 176.91 179.86 1ocv h THR 8 N 0.96 1.23 -0.87 2.22 2.02 -0.75 -0.65 112.91 117.07 1ocv h THR 8 Ca 0.31 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.80 1ocv h THR 8 Cb 0.03 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 1ocv h THR 8 CO -0.12 0.29 0.54 0.00 0.37 0.00 0.00 175.52 176.60 1ocv h ALA 9 N 1.06 1.18 -0.39 6.16 0.00 0.15 -0.77 119.26 126.64 1ocv h ALA 9 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ocv h ALA 9 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ocv h ALA 9 CO -0.01 0.32 -0.06 0.28 0.00 0.00 0.00 179.25 179.77 1ocv h VAL 10 N 1.01 1.27 -0.48 0.00 2.07 -0.72 -0.79 116.25 118.62 1ocv h VAL 10 Ca 0.37 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1ocv h VAL 10 Cb 0.13 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1ocv h VAL 10 CO -0.16 0.38 0.13 0.58 0.02 0.00 0.00 177.57 178.52 1ocv h VAL 11 N 0.55 0.79 -0.40 2.57 2.07 -0.24 -0.46 116.25 121.12 1ocv h VAL 11 Ca 0.10 -0.10 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 1ocv h VAL 11 Cb 0.57 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1ocv h VAL 11 CO 0.03 0.05 -0.26 1.56 0.02 0.00 0.00 177.57 178.98 1ocv h GLN 12 N 0.28 0.83 -0.01 1.57 4.20 -0.98 -2.31 115.11 118.70 1ocv h GLN 12 Ca 0.23 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1ocv h GLN 12 Cb 0.28 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1ocv h GLN 12 CO -0.27 1.00 -0.22 0.00 -0.67 0.00 0.00 178.83 178.66 1ocv h ARG 13 N 0.72 0.01 -0.01 1.46 3.08 -0.62 0.06 114.38 119.08 1ocv h ARG 13 Ca 0.09 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ocv h ARG 13 Cb 0.80 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1ocv h ARG 13 CO 0.07 0.24 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.28 1ocv h TYR 14 N 0.01 0.01 0.02 3.04 3.20 -0.74 -0.23 116.97 122.29 1ocv h TYR 14 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ocv h TYR 14 Cb 0.40 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1ocv h TYR 14 CO 0.00 0.32 -0.01 0.28 -1.64 0.00 0.00 178.16 177.11 1ocv h VAL 15 N -0.30 1.05 -0.99 1.81 2.07 -1.08 -1.87 116.25 116.95 1ocv h VAL 15 Ca 0.00 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1ocv h VAL 15 Cb 0.32 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1ocv h VAL 15 CO 0.00 0.06 0.63 0.00 0.02 0.00 0.00 177.57 178.28 1ocv h ALA 16 N 0.84 1.43 -0.42 1.67 0.00 -0.98 -0.84 119.26 120.97 1ocv h ALA 16 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ocv h ALA 16 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ocv h ALA 16 CO 0.01 0.33 -0.11 0.00 0.00 0.00 0.00 179.25 179.48 1ocv h ALA 17 N 1.49 1.04 -0.48 0.00 0.00 -0.75 0.10 119.26 120.67 1ocv h ALA 17 Ca 0.46 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1ocv h ALA 17 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ocv h ALA 17 CO -0.22 0.58 -0.16 -0.07 0.00 0.00 0.00 179.25 179.39 1ocv h LEU 18 N 0.67 0.96 -0.98 0.00 3.38 -0.44 0.41 115.31 119.31 1ocv h LEU 18 Ca 0.12 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 1ocv h LEU 18 Cb 0.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1ocv h LEU 18 CO 0.04 1.12 -0.49 0.78 0.09 0.00 0.00 178.44 179.98 1ocv h ASN 19 N 0.80 0.05 0.52 -0.43 2.35 -0.92 -2.72 115.58 115.23 1ocv h ASN 19 Ca 0.12 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1ocv h ASN 19 Cb 0.72 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1ocv h ASN 19 CO 0.06 0.53 -0.43 0.00 -1.65 0.00 0.00 177.43 175.93 1ocv n ALA 20 N -2.45 3.40 -2.25 -0.83 0.00 0.33 -4.88 120.51 113.83 1ocv n ALA 20 Ca -0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1ocv n ALA 20 Cb 0.51 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1ocv n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ocv n GLY 21 N 1.48 -0.11 3.45 0.00 0.00 0.57 -4.94 105.19 105.64 1ocv n GLY 21 Ca 0.06 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 1ocv n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocv s ASP 22 N -2.49 6.58 0.15 1.61 2.15 0.11 -4.87 116.67 119.92 1ocv s ASP 22 Ca 0.01 -1.94 -0.13 0.00 0.43 0.00 0.00 52.55 50.92 1ocv s ASP 22 Cb -0.00 -2.40 0.03 0.00 -0.30 0.00 0.00 42.92 40.25 1ocv s ASP 22 CO 0.01 -1.10 1.64 0.25 -0.17 0.00 0.00 175.17 175.81 1ocv h LEU 23 N 10.50 0.80 -0.27 -1.34 5.85 -1.92 -1.96 115.31 126.97 1ocv h LEU 23 Ca 0.11 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1ocv h LEU 23 Cb 1.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1ocv h LEU 23 CO 1.12 0.85 0.15 0.44 -0.34 0.00 0.00 178.44 180.66 1ocv h ASP 24 N 0.72 0.33 -0.62 1.25 3.45 -1.98 -1.45 116.42 118.13 1ocv h ASP 24 Ca 0.16 -0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 1ocv h ASP 24 Cb 0.39 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.04 1ocv h ASP 24 CO 0.01 0.31 0.32 1.23 -1.57 0.00 0.00 179.24 179.54 1ocv h GLY 25 N 0.32 0.97 0.87 2.75 0.00 -1.95 -0.58 103.07 105.46 1ocv h GLY 25 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1ocv h GLY 25 CO -0.02 0.43 -0.42 -2.22 0.00 0.00 0.00 176.54 174.31 1ocv h ILE 26 N 0.90 0.00 -0.93 2.60 2.04 -1.00 -3.10 117.51 118.03 1ocv h ILE 26 Ca 0.22 -0.11 0.17 0.00 1.00 0.00 0.00 64.86 66.14 1ocv h ILE 26 Cb 0.08 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.08 1ocv h ILE 26 CO -0.03 0.00 0.59 0.58 0.00 0.00 0.00 178.15 179.29 1ocv h VAL 27 N -1.29 0.77 0.00 1.67 2.07 -1.10 -0.55 116.25 117.81 1ocv h VAL 27 Ca -0.12 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ocv h VAL 27 Cb 0.90 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ocv h VAL 27 CO 0.20 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1ocv n ALA 28 N -2.43 1.34 0.07 1.67 0.00 -0.24 -1.75 120.51 119.17 1ocv n ALA 28 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.60 1ocv n ALA 28 Cb 0.55 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 1ocv n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ocv h LEU 29 N 0.00 0.00-10.11 0.00 3.38 -1.09 -3.47 115.31 104.02 1ocv h LEU 29 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1ocv h LEU 29 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ocv h LEU 29 CO 0.00 0.82 0.05 -0.36 0.09 0.00 0.00 178.44 179.04 1ocv s PHE 30 N -2.78 3.46 0.72 1.13 0.08 -0.72 -1.78 117.98 118.09 1ocv s PHE 30 Ca 0.01 0.97 -0.11 0.00 0.12 0.00 0.00 56.93 57.91 1ocv s PHE 30 Cb 0.09 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1ocv s PHE 30 CO 0.80 0.00 1.09 0.00 -0.10 0.00 0.00 175.22 177.01 1ocv s ALA 31 N -2.22 2.77 -0.32 5.36 0.00 0.07 -4.79 121.76 122.63 1ocv s ALA 31 Ca 0.50 -0.28 0.27 0.00 0.00 0.00 0.00 51.96 52.44 1ocv s ALA 31 Cb -0.10 -3.05 1.08 0.00 0.00 0.00 0.00 23.12 21.05 1ocv s ALA 31 CO 0.28 -1.23 1.79 0.38 0.00 0.00 0.00 175.76 176.99 1ocv h ASP 32 N -0.72 0.00 -0.27 0.00 -0.00 -1.95 -2.62 116.42 110.86 1ocv h ASP 32 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.58 1ocv h ASP 32 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 1ocv h ASP 32 CO 0.63 0.00 0.00 -0.90 -0.00 0.00 0.00 179.24 178.97 1ocv n ASP 33 N -2.50 2.83 -4.66 4.15 5.75 -1.26 -3.53 116.55 117.33 1ocv n ASP 33 Ca 0.02 -1.83 -0.30 0.00 -0.01 0.00 0.00 54.79 52.66 1ocv n ASP 33 Cb 0.26 -0.17 0.17 0.00 -1.03 0.00 0.00 41.12 40.35 1ocv n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ocv s ALA 34 N -1.14 1.25 0.03 2.12 0.00 -0.99 -4.52 121.76 118.51 1ocv s ALA 34 Ca 0.26 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1ocv s ALA 34 Cb 0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1ocv s ALA 34 CO 0.21 -2.79 -0.11 0.95 0.00 0.00 0.00 175.76 174.01 1ocv s THR 35 N -2.67 0.87 -0.14 0.00 -4.23 -0.49 -1.21 115.64 107.78 1ocv s THR 35 Ca 0.66 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 60.35 1ocv s THR 35 Cb -0.22 -0.80 0.02 0.00 1.34 0.00 0.00 72.50 72.84 1ocv s THR 35 CO 0.59 -0.02 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.82 1ocv s VAL 36 N -0.76 1.55 -0.51 2.29 1.01 0.41 -1.02 120.40 123.36 1ocv s VAL 36 Ca -0.00 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1ocv s VAL 36 Cb -0.07 -1.44 0.13 0.00 0.00 0.00 0.00 36.38 35.00 1ocv s VAL 36 CO 0.01 0.45 0.27 -0.70 0.00 0.00 0.00 175.10 175.13 1ocv s GLU 37 N 1.34 2.03 -0.17 2.72 2.12 -0.65 0.09 118.70 126.19 1ocv s GLU 37 Ca 0.02 -2.50 -0.02 0.00 0.36 0.00 0.00 54.97 52.83 1ocv s GLU 37 Cb -0.13 -3.39 0.05 0.00 0.26 0.00 0.00 34.13 30.91 1ocv s GLU 37 CO -0.08 -1.10 0.00 0.34 -0.54 0.00 0.00 175.26 173.88 1ocv s ASP 38 N 0.10 2.74 0.70 -1.70 -1.08 -1.26 -2.00 116.67 114.16 1ocv s ASP 38 Ca 0.16 -0.69 -0.04 0.00 -0.52 0.00 0.00 52.55 51.46 1ocv s ASP 38 Cb -0.24 -0.69 0.09 0.00 -1.46 0.00 0.00 42.92 40.62 1ocv s ASP 38 CO -0.02 -0.25 0.99 -2.16 0.52 0.00 0.00 175.17 174.25 1ocv s PRO 39 N 1.79 1.97 0.23 4.34 0.04 -1.26 -4.96 135.00 137.15 1ocv s PRO 39 Ca 0.00 -0.62 -0.31 0.00 0.04 0.00 0.00 61.00 60.11 1ocv s PRO 39 Cb -0.16 -2.25 -0.13 0.00 0.04 0.00 0.00 34.50 32.00 1ocv s PRO 39 CO -0.07 -1.30 1.45 0.28 0.04 0.00 0.00 177.00 177.39 1ocv n VAL 40 N -2.86 0.83 0.00 -0.36 0.31 0.28 -1.52 118.33 115.01 1ocv n VAL 40 Ca 0.11 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1ocv n VAL 40 Cb 0.60 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1ocv n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ocv n GLY 41 N 2.33 2.22 3.94 2.92 0.00 -1.26 -4.94 105.19 110.40 1ocv n GLY 41 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ocv n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ocv s SER 42 N -1.46 5.58 -0.27 1.61 1.04 -0.57 -5.00 113.70 114.62 1ocv s SER 42 Ca 0.00 0.41 -0.29 0.00 0.48 0.00 0.00 55.95 56.56 1ocv s SER 42 Cb 0.00 -1.46 -0.03 0.00 0.10 0.00 0.00 66.02 64.63 1ocv s SER 42 CO 0.00 -0.97 1.84 -1.61 0.98 0.00 0.00 173.24 173.47 1ocv s GLU 43 N -4.80 3.44 0.31 4.02 8.01 -1.26 -4.85 118.70 123.56 1ocv s GLU 43 Ca 0.53 1.63 -0.29 0.00 0.01 0.00 0.00 54.97 56.85 1ocv s GLU 43 Cb -0.10 -4.19 -0.11 0.00 -4.31 0.00 0.00 34.13 25.42 1ocv s GLU 43 CO 0.41 -1.74 1.50 -2.14 0.01 0.00 0.00 175.26 173.31 1ocv s PRO 44 N 5.51 4.17 -0.10 0.39 0.02 -1.26 -4.85 135.00 138.89 1ocv s PRO 44 Ca 0.82 2.48 -0.18 0.00 0.02 0.00 0.00 61.00 64.14 1ocv s PRO 44 Cb -0.26 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 1ocv s PRO 44 CO 0.33 -0.51 0.48 1.03 -0.33 0.00 0.00 177.00 178.00 1ocv s ARG 45 N -1.05 4.30 0.01 5.54 3.00 0.11 -4.87 118.95 125.99 1ocv s ARG 45 Ca 0.58 0.47 0.05 0.00 0.00 0.00 0.00 55.73 56.84 1ocv s ARG 45 Cb -0.45 -3.41 -0.03 0.00 0.00 0.00 0.00 34.95 31.06 1ocv s ARG 45 CO 0.52 0.23 -0.14 0.45 0.00 0.00 0.00 175.30 176.36 1ocv s SER 46 N 0.38 4.09 0.00 0.23 0.15 -1.26 -0.44 113.70 116.84 1ocv s SER 46 Ca 0.26 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1ocv s SER 46 Cb -0.16 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 1ocv s SER 46 CO 0.11 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.44 1ocv n GLY 47 N 1.68 -0.38 0.27 9.45 0.00 -0.35 -4.17 105.19 111.70 1ocv n GLY 47 Ca -0.16 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.25 1ocv n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ocv h THR 48 N 0.00 0.38 0.15 2.61 2.02 -1.82 0.65 112.91 116.90 1ocv h THR 48 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ocv h THR 48 Cb 0.00 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1ocv h THR 48 CO 0.00 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.76 1ocv h ALA 49 N 0.95 -0.27 -0.40 6.16 0.00 -1.93 0.33 119.26 124.10 1ocv h ALA 49 Ca 0.17 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ocv h ALA 49 Cb 0.45 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1ocv h ALA 49 CO -0.45 -0.67 0.12 0.00 0.00 0.00 0.00 179.25 178.26 1ocv h ALA 50 N 0.53 0.46 -0.69 0.00 0.00 -1.65 -1.05 119.26 116.86 1ocv h ALA 50 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ocv h ALA 50 Cb 0.28 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ocv h ALA 50 CO -0.02 -0.27 0.41 0.82 0.00 0.00 0.00 179.25 180.19 1ocv h ILE 51 N 0.27 1.20 -0.71 0.00 2.04 -0.53 -1.72 117.51 118.07 1ocv h ILE 51 Ca 0.19 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 1ocv h ILE 51 Cb 0.19 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1ocv h ILE 51 CO -0.21 0.21 0.19 -0.09 0.00 0.00 0.00 178.15 178.25 1ocv h ARG 52 N 0.94 1.12 -0.66 2.37 2.43 0.22 -2.21 114.38 118.59 1ocv h ARG 52 Ca 0.25 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ocv h ARG 52 Cb -0.02 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1ocv h ARG 52 CO -0.05 0.97 0.38 1.49 -1.51 0.00 0.00 179.97 181.25 1ocv h GLU 53 N 1.07 0.90 0.48 0.20 4.57 -0.91 0.05 114.58 120.93 1ocv h GLU 53 Ca 0.23 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1ocv h GLU 53 Cb 0.34 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1ocv h GLU 53 CO -0.00 0.66 -0.41 0.35 -1.18 0.00 0.00 179.01 178.43 1ocv h PHE 54 N 0.89 -1.11 0.00 0.92 3.57 -0.74 -1.35 116.94 119.12 1ocv h PHE 54 Ca 0.23 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1ocv h PHE 54 Cb 0.01 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1ocv h PHE 54 CO -0.01 -0.58 -0.27 1.88 -2.23 0.00 0.00 178.31 177.10 1ocv h TYR 55 N -0.88 0.00 0.15 0.41 -1.99 -1.39 -1.80 116.97 111.47 1ocv h TYR 55 Ca -0.05 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.68 1ocv h TYR 55 Cb 0.76 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.49 1ocv h TYR 55 CO -0.19 0.27 -0.10 0.00 -0.00 0.00 0.00 178.16 178.14 1ocv h ALA 56 N 1.73 -0.24 -0.44 3.88 0.00 -0.58 -1.89 119.26 121.72 1ocv h ALA 56 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ocv h ALA 56 Cb 0.65 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ocv h ALA 56 CO 0.03 -0.64 -0.00 -0.91 0.00 0.00 0.00 179.25 177.73 1ocv h ASN 57 N -0.25 0.69 0.49 0.00 2.35 -0.93 -2.78 115.58 115.15 1ocv h ASN 57 Ca -0.01 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.56 1ocv h ASN 57 Cb 0.21 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1ocv h ASN 57 CO 0.01 0.76 -0.10 0.28 -1.65 0.00 0.00 177.43 176.73 1ocv h SER 58 N 0.68 0.00 -0.53 5.81 0.02 -0.96 -2.78 113.55 115.79 1ocv h SER 58 Ca 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1ocv h SER 58 Cb 0.42 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1ocv h SER 58 CO 0.02 0.10 0.07 0.18 -1.14 0.00 0.00 176.83 176.06 1ocv n LEU 59 N -3.45 5.13 -0.20 5.07 4.77 -0.74 -4.32 117.00 123.25 1ocv n LEU 59 Ca -0.01 -2.62 -0.03 0.00 -0.03 0.00 0.00 56.01 53.31 1ocv n LEU 59 Cb 0.25 -0.67 0.16 0.00 -2.33 0.00 0.00 43.42 40.82 1ocv n LEU 59 CO 0.29 0.62 1.04 0.11 -1.33 0.00 0.00 177.39 178.12 1ocv h LYS 60 N 3.01 0.99 -6.39 3.23 6.56 -1.60 -3.42 116.57 118.95 1ocv h LYS 60 Ca 0.07 -0.17 -0.69 0.00 -1.06 0.00 0.00 60.65 58.80 1ocv h LYS 60 Cb 1.86 -0.16 -0.24 0.00 -0.57 0.00 0.00 32.23 33.11 1ocv h LYS 60 CO 0.48 0.81 -0.79 -0.51 -2.06 0.00 0.00 179.45 177.39 1ocv s LEU 61 N -9.55 2.65 0.29 2.94 1.43 -1.26 -5.08 118.68 110.10 1ocv s LEU 61 Ca -0.11 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1ocv s LEU 61 Cb 0.16 -1.53 -0.12 0.00 0.03 0.00 0.00 46.19 44.73 1ocv s LEU 61 CO 0.81 0.33 1.52 -0.81 0.23 0.00 0.00 176.35 178.43 1ocv n PRO 62 N 2.19 2.50 -4.76 1.29 -0.04 -1.26 -4.97 135.00 129.95 1ocv n PRO 62 Ca -0.17 0.89 -0.33 0.00 -0.04 0.00 0.00 63.50 63.85 1ocv n PRO 62 Cb 0.52 -2.62 -0.12 0.00 -0.04 0.00 0.00 33.50 31.24 1ocv n PRO 62 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ocv s LEU 63 N -0.55 2.88 -0.38 1.53 1.43 -1.26 -4.66 118.68 117.67 1ocv s LEU 63 Ca 0.63 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1ocv s LEU 63 Cb -0.54 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.15 1ocv s LEU 63 CO 0.52 0.34 0.17 0.00 0.23 0.00 0.00 176.35 177.60 1ocv s ALA 64 N -0.79 3.11 -0.14 4.21 0.00 -0.57 -4.44 121.76 123.13 1ocv s ALA 64 Ca 0.13 -2.14 -0.01 0.00 0.00 0.00 0.00 51.96 49.93 1ocv s ALA 64 Cb -0.11 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1ocv s ALA 64 CO 0.02 -1.58 -0.11 0.08 0.00 0.00 0.00 175.76 174.17 1ocv s VAL 65 N 1.29 3.16 0.00 0.00 1.01 -1.26 -1.46 120.40 123.14 1ocv s VAL 65 Ca 0.02 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ocv s VAL 65 Cb -0.22 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 1ocv s VAL 65 CO -0.01 0.51 -0.02 -1.61 0.00 0.00 0.00 175.10 173.97 1ocv s GLU 66 N 0.45 0.19 0.16 2.72 2.02 -1.02 -4.88 118.70 118.33 1ocv s GLU 66 Ca -0.09 -0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 1ocv s GLU 66 Cb -0.16 -0.14 -0.07 0.00 0.10 0.00 0.00 34.13 33.86 1ocv s GLU 66 CO 0.04 0.04 0.99 -0.51 0.02 0.00 0.00 175.26 175.84 1ocv s LEU 67 N -0.21 4.54 0.00 1.80 1.43 -1.26 -1.47 118.68 123.51 1ocv s LEU 67 Ca -0.01 1.90 0.12 0.00 -1.03 0.00 0.00 54.13 55.11 1ocv s LEU 67 Cb -0.02 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 1ocv s LEU 67 CO -0.00 -0.04 0.60 0.35 0.23 0.00 0.00 176.35 177.49 1ocv n THR 68 N 2.34 0.00 -3.97 5.49 -2.24 -0.36 -4.95 114.28 110.58 1ocv n THR 68 Ca 0.01 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1ocv n THR 68 Cb 0.48 1.07 -0.05 0.00 -2.10 0.00 0.00 70.33 69.73 1ocv n THR 68 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ocv s GLN 69 N -1.85 1.53 0.61 -0.78 -0.21 -1.24 -5.02 119.66 112.69 1ocv s GLN 69 Ca 0.07 -1.21 -0.20 0.00 0.02 0.00 0.00 55.36 54.04 1ocv s GLN 69 Cb 0.09 0.48 -0.03 0.00 1.00 0.00 0.00 33.01 34.55 1ocv s GLN 69 CO 0.40 -0.64 1.30 -0.85 -2.12 0.00 0.00 175.29 173.38 1ocv n GLU 70 N -0.38 1.33 -2.65 2.91 0.28 -1.26 -4.69 120.64 116.19 1ocv n GLU 70 Ca -0.02 0.51 -0.37 0.00 -0.16 0.00 0.00 57.16 57.11 1ocv n GLU 70 Cb 0.62 -2.53 -0.05 0.00 1.43 0.00 0.00 31.44 30.91 1ocv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1ocv s VAL 71 N -1.35 3.92 -0.19 3.84 1.01 -1.26 -4.72 120.40 121.65 1ocv s VAL 71 Ca 0.78 1.60 -0.07 0.00 0.00 0.00 0.00 61.98 64.28 1ocv s VAL 71 Cb -0.40 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1ocv s VAL 71 CO 0.44 0.13 0.06 -0.13 0.00 0.00 0.00 175.10 175.61 1ocv s ARG 72 N -2.11 3.96 -0.10 2.72 3.00 -0.67 -5.01 118.95 120.75 1ocv s ARG 72 Ca 0.52 -0.35 -0.07 0.00 0.00 0.00 0.00 55.73 55.83 1ocv s ARG 72 Cb -0.22 -3.23 0.03 0.00 0.00 0.00 0.00 34.95 31.54 1ocv s ARG 72 CO 0.28 0.24 0.25 0.00 0.00 0.00 0.00 175.30 176.07 1ocv s ALA 73 N 0.46 -0.60 -0.21 2.13 0.00 -1.26 -1.56 121.76 120.71 1ocv s ALA 73 Ca 0.03 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.51 1ocv s ALA 73 Cb -0.13 -0.50 0.15 0.00 0.00 0.00 0.00 23.12 22.64 1ocv s ALA 73 CO 0.01 -0.15 1.19 0.54 0.00 0.00 0.00 175.76 177.35 1ocv s VAL 74 N 0.59 0.00 -0.62 0.00 0.11 0.16 -4.83 120.40 115.81 1ocv s VAL 74 Ca -0.04 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1ocv s VAL 74 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1ocv s VAL 74 CO -0.03 0.00 0.43 0.00 -3.33 0.00 0.00 175.10 172.17 1ocv n ALA 75 N 0.33 -2.26 -0.98 1.54 0.00 -1.26 0.22 120.51 118.09 1ocv n ALA 75 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 1ocv n ALA 75 Cb 0.58 -0.66 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 1ocv n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ocv n ASN 76 N -1.65 -5.36 -4.20 0.00 3.02 -1.26 -4.94 115.26 100.87 1ocv n ASN 76 Ca -0.21 0.06 -0.16 0.00 -0.03 0.00 0.00 54.58 54.24 1ocv n ASN 76 Cb 0.48 -3.36 -0.11 0.00 -0.61 0.00 0.00 39.78 36.18 1ocv n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ocv s GLU 77 N -2.03 0.90 -0.03 3.52 2.02 0.13 -1.13 118.70 122.09 1ocv s GLU 77 Ca 0.00 -1.16 -0.14 0.00 0.02 0.00 0.00 54.97 53.70 1ocv s GLU 77 Cb 0.00 -0.70 0.02 0.00 0.10 0.00 0.00 34.13 33.55 1ocv s GLU 77 CO 0.00 0.13 0.30 0.00 0.02 0.00 0.00 175.26 175.71 1ocv s ALA 78 N -2.17 -0.76 -0.01 5.21 0.00 0.14 -0.67 121.76 123.50 1ocv s ALA 78 Ca 0.05 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1ocv s ALA 78 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1ocv s ALA 78 CO 0.01 -0.24 0.04 0.00 0.00 0.00 0.00 175.76 175.58 1ocv s ALA 79 N -1.13 -0.10 0.02 0.00 0.00 -0.60 0.12 121.76 120.06 1ocv s ALA 79 Ca -0.12 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1ocv s ALA 79 Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1ocv s ALA 79 CO 0.04 -0.06 0.00 -0.59 0.00 0.00 0.00 175.76 175.15 1ocv s PHE 80 N -0.31 0.25 -0.14 0.00 -0.71 -0.62 -1.66 117.98 114.78 1ocv s PHE 80 Ca -0.04 -0.52 -0.06 0.00 -1.04 0.00 0.00 56.93 55.28 1ocv s PHE 80 Cb -0.02 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.56 1ocv s PHE 80 CO 0.00 -0.23 0.07 0.00 -1.34 0.00 0.00 175.22 173.71 1ocv s ALA 81 N -1.73 3.49 0.33 1.99 0.00 -1.26 -1.90 121.76 122.68 1ocv s ALA 81 Ca -0.13 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 50.92 1ocv s ALA 81 Cb -0.08 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.29 1ocv s ALA 81 CO -0.02 0.39 0.87 1.97 0.00 0.00 0.00 175.76 178.97 1ocv n PHE 82 N 2.81 -2.04 -4.18 0.00 1.16 -1.19 -1.23 117.46 112.78 1ocv n PHE 82 Ca -0.18 -1.67 -0.14 0.00 -1.87 0.00 0.00 57.45 53.59 1ocv n PHE 82 Cb 0.53 0.83 -0.11 0.00 -1.61 0.00 0.00 39.48 39.12 1ocv n PHE 82 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 1ocv s ILE 83 N -2.09 0.93 -0.25 1.97 -0.00 -0.54 -3.20 121.20 118.03 1ocv s ILE 83 Ca 0.18 -1.69 -0.01 0.00 -0.00 0.00 0.00 60.65 59.13 1ocv s ILE 83 Cb -0.04 -1.42 0.07 0.00 -0.00 0.00 0.00 42.46 41.07 1ocv s ILE 83 CO 0.10 -0.60 0.04 -0.69 -0.00 0.00 0.00 174.94 173.78 1ocv s VAL 84 N -2.61 0.92 -0.10 8.37 1.01 0.76 -2.44 120.40 126.32 1ocv s VAL 84 Ca 0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1ocv s VAL 84 Cb -0.02 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1ocv s VAL 84 CO -0.00 -0.35 0.03 -0.44 0.00 0.00 0.00 175.10 174.33 1ocv s SER 85 N 1.64 5.47 0.31 3.32 0.01 -0.54 -1.24 113.70 122.68 1ocv s SER 85 Ca 0.02 0.20 -0.19 0.00 1.31 0.00 0.00 55.95 57.29 1ocv s SER 85 Cb -0.18 -1.61 0.03 0.00 0.21 0.00 0.00 66.02 64.47 1ocv s SER 85 CO -0.13 0.37 0.75 0.72 0.41 0.00 0.00 173.24 175.36 1ocv s PHE 86 N -0.85 -0.09 0.17 2.43 -0.12 -0.48 -1.51 117.98 117.53 1ocv s PHE 86 Ca 0.13 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.61 1ocv s PHE 86 Cb -0.12 0.75 -0.05 0.00 -0.63 0.00 0.00 43.02 42.98 1ocv s PHE 86 CO 0.03 -1.34 -0.04 -1.21 -0.05 0.00 0.00 175.22 172.61 1ocv s GLU 87 N -3.41 1.12 -0.30 1.99 2.02 -1.26 -0.80 118.70 118.07 1ocv s GLU 87 Ca 0.12 -1.52 -0.22 0.00 0.02 0.00 0.00 54.97 53.38 1ocv s GLU 87 Cb -0.06 -0.44 0.19 0.00 0.10 0.00 0.00 34.13 33.92 1ocv s GLU 87 CO 0.08 -0.05 1.34 -0.47 0.02 0.00 0.00 175.26 176.18 1ocv s TYR 88 N -3.50 -0.10 -1.39 1.61 5.04 -1.16 -4.97 117.35 112.87 1ocv s TYR 88 Ca 0.22 0.23 -0.09 0.00 -2.44 0.00 0.00 57.07 54.98 1ocv s TYR 88 Cb 0.05 0.32 0.06 0.00 0.35 0.00 0.00 41.96 42.74 1ocv s TYR 88 CO 0.03 -0.05 0.61 1.04 -1.34 0.00 0.00 175.55 175.84 1ocv n GLN 89 N 2.21 -4.07 -2.88 4.97 6.02 -1.26 -3.12 117.38 119.26 1ocv n GLN 89 Ca -0.13 0.58 -0.09 0.00 -0.01 0.00 0.00 57.00 57.35 1ocv n GLN 89 Cb 0.57 -5.35 0.01 0.00 1.02 0.00 0.00 30.24 26.48 1ocv n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ocv n GLY 90 N -1.34 -1.25 0.00 1.08 0.00 -1.26 -5.05 105.19 97.36 1ocv n GLY 90 Ca -0.02 1.25 0.00 0.00 0.00 0.00 0.00 46.02 47.25 1ocv n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ocv n ARG 91 N -0.33 0.00 -3.07 1.61 0.00 -1.18 -5.13 116.66 108.55 1ocv n ARG 91 Ca 0.11 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.56 1ocv n ARG 91 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.88 1ocv n ARG 91 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ocv s LYS 92 N 0.00 4.43 0.01 -0.14 2.20 -1.26 -2.98 119.74 121.99 1ocv s LYS 92 Ca 0.00 0.84 0.04 0.00 -0.36 0.00 0.00 55.97 56.49 1ocv s LYS 92 Cb 0.00 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1ocv s LYS 92 CO 0.00 0.08 -0.13 0.99 -0.36 0.00 0.00 175.35 175.92 1ocv s THR 93 N 0.76 1.06 -0.12 3.43 2.01 0.02 -0.18 115.64 122.63 1ocv s THR 93 Ca 0.36 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1ocv s THR 93 Cb -0.17 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.44 1ocv s THR 93 CO 0.17 0.20 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.48 1ocv s VAL 94 N -0.49 1.40 -0.13 3.82 1.01 -0.38 -1.38 120.40 124.25 1ocv s VAL 94 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1ocv s VAL 94 Cb -0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1ocv s VAL 94 CO 0.00 0.42 -0.06 -0.69 0.00 0.00 0.00 175.10 174.77 1ocv s VAL 95 N 1.22 3.69 -0.49 2.92 1.01 -0.38 -0.19 120.40 128.19 1ocv s VAL 95 Ca -0.02 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1ocv s VAL 95 Cb -0.14 -2.58 0.13 0.00 0.00 0.00 0.00 36.38 33.78 1ocv s VAL 95 CO -0.05 0.52 0.23 0.00 0.00 0.00 0.00 175.10 175.81 1ocv s ALA 96 N 0.10 3.25 0.32 5.51 0.00 -0.10 -0.17 121.76 130.67 1ocv s ALA 96 Ca -0.02 -3.15 0.05 0.00 0.00 0.00 0.00 51.96 48.84 1ocv s ALA 96 Cb -0.14 -2.15 0.05 0.00 0.00 0.00 0.00 23.12 20.88 1ocv s ALA 96 CO 0.03 -1.97 0.40 -0.35 0.00 0.00 0.00 175.76 173.87 1ocv n PRO 97 N 3.33 0.84 -3.92 0.00 -0.04 -1.19 -4.85 135.00 129.16 1ocv n PRO 97 Ca 0.05 -1.77 -0.26 0.00 -0.04 0.00 0.00 63.50 61.48 1ocv n PRO 97 Cb 0.34 -0.06 -0.17 0.00 -0.04 0.00 0.00 33.50 33.57 1ocv n PRO 97 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ocv s ILE 98 N -1.11 0.88 0.06 0.52 1.01 -0.90 -3.20 121.20 118.46 1ocv s ILE 98 Ca 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1ocv s ILE 98 Cb -0.02 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1ocv s ILE 98 CO 0.19 0.34 0.21 -1.81 0.00 0.00 0.00 174.94 173.87 1ocv s ASP 99 N 1.69 6.36 -0.08 3.58 1.11 -0.80 -1.04 116.67 127.49 1ocv s ASP 99 Ca 0.04 0.27 0.04 0.00 0.18 0.00 0.00 52.55 53.07 1ocv s ASP 99 Cb -0.13 -1.96 0.00 0.00 1.07 0.00 0.00 42.92 41.91 1ocv s ASP 99 CO -0.07 0.17 -0.20 -2.28 1.18 0.00 0.00 175.17 173.97 1ocv s HIS 100 N -1.51 2.14 -0.10 4.23 5.65 0.70 -1.59 115.29 124.80 1ocv s HIS 100 Ca 0.35 -0.80 0.03 0.00 0.25 0.00 0.00 55.06 54.89 1ocv s HIS 100 Cb -0.13 -1.45 -0.01 0.00 -1.18 0.00 0.00 32.58 29.81 1ocv s HIS 100 CO 0.28 -0.33 -0.20 -0.06 -0.65 0.00 0.00 174.74 173.79 1ocv s PHE 101 N 0.33 2.63 -0.18 3.88 0.40 0.32 -1.67 117.98 123.70 1ocv s PHE 101 Ca -0.14 -0.79 0.01 0.00 -0.60 0.00 0.00 56.93 55.40 1ocv s PHE 101 Cb -0.16 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.65 1ocv s PHE 101 CO 0.06 -0.27 -0.19 0.50 0.70 0.00 0.00 175.22 176.02 1ocv s ARG 102 N 0.18 3.03 0.18 0.44 3.52 -0.42 -0.69 118.95 125.19 1ocv s ARG 102 Ca -0.12 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 54.71 1ocv s ARG 102 Cb -0.16 -2.59 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 1ocv s ARG 102 CO 0.06 -0.18 0.26 -0.06 -0.81 0.00 0.00 175.30 174.58 1ocv s PHE 103 N 1.23 3.39 0.57 5.12 0.40 -0.28 -0.13 117.98 128.28 1ocv s PHE 103 Ca 0.03 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.47 1ocv s PHE 103 Cb -0.13 -1.60 0.10 0.00 0.51 0.00 0.00 43.02 41.90 1ocv s PHE 103 CO -0.10 0.50 0.79 0.27 0.70 0.00 0.00 175.22 177.38 1ocv n ASN 104 N -0.73 1.72 0.10 1.36 2.04 0.18 -4.78 115.26 115.15 1ocv n ASN 104 Ca -0.08 -2.30 0.06 0.00 -0.44 0.00 0.00 54.58 51.82 1ocv n ASN 104 Cb 0.55 -0.45 0.51 0.00 -2.53 0.00 0.00 39.78 37.86 1ocv n ASN 104 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1ocv h GLY 105 N -0.10 0.36 -1.87 4.83 0.00 -1.93 -2.34 103.07 102.01 1ocv h GLY 105 Ca -0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1ocv h GLY 105 CO 0.35 0.13 0.04 0.00 0.00 0.00 0.00 176.54 177.06 1ocv n ALA 106 N -2.50 2.97 -0.91 3.60 0.00 -1.26 -2.99 120.51 119.41 1ocv n ALA 106 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1ocv n ALA 106 Cb 0.07 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1ocv n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ocv n GLY 107 N 0.14 0.36 3.92 0.00 0.00 -0.88 -5.00 105.19 103.72 1ocv n GLY 107 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1ocv n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ocv s LYS 108 N -0.78 3.57 -0.18 1.61 1.02 -1.26 -4.81 119.74 118.91 1ocv s LYS 108 Ca 0.00 -0.14 -0.27 0.00 0.02 0.00 0.00 55.97 55.59 1ocv s LYS 108 Cb 0.00 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1ocv s LYS 108 CO 0.00 0.20 0.90 0.08 -0.92 0.00 0.00 175.35 175.62 1ocv s VAL 109 N -2.15 4.82 -1.03 3.17 1.01 -0.73 0.51 120.40 125.99 1ocv s VAL 109 Ca 0.42 1.77 0.20 0.00 0.00 0.00 0.00 61.98 64.37 1ocv s VAL 109 Cb -0.10 -4.20 -0.20 0.00 0.00 0.00 0.00 36.38 31.88 1ocv s VAL 109 CO 0.32 -0.03 0.86 1.33 0.00 0.00 0.00 175.10 177.58 1ocv n VAL 110 N 4.90 0.00 -3.64 2.92 0.24 0.81 -0.75 118.33 122.81 1ocv n VAL 110 Ca 0.07 -0.06 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 1ocv n VAL 110 Cb 0.48 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.80 1ocv n VAL 110 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ocv s SER 111 N -2.82 -0.87 0.05 -1.34 0.15 -1.10 -1.40 113.70 106.37 1ocv s SER 111 Ca 0.08 1.47 0.06 0.00 0.70 0.00 0.00 55.95 58.26 1ocv s SER 111 Cb 0.15 1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 65.84 1ocv s SER 111 CO 0.79 -0.24 -0.16 0.00 1.20 0.00 0.00 173.24 174.83 1ocv s MET 112 N 1.24 1.02 -0.09 5.44 0.00 -0.19 -1.30 119.30 125.42 1ocv s MET 112 Ca -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 55.69 54.71 1ocv s MET 112 Cb -0.05 -1.08 0.05 0.00 0.00 0.00 0.00 34.83 33.74 1ocv s MET 112 CO -0.14 0.26 0.20 1.03 0.00 0.00 0.00 175.02 176.38 1ocv s ARG 113 N -1.34 0.13 -0.28 3.16 0.52 -0.67 -1.63 118.95 118.84 1ocv s ARG 113 Ca 0.03 0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 55.70 1ocv s ARG 113 Cb -0.09 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.24 1ocv s ARG 113 CO 0.02 -0.21 0.05 0.00 0.02 0.00 0.00 175.30 175.17 1ocv s ALA 114 N 1.61 2.99 -0.39 2.13 0.00 -0.85 -0.22 121.76 127.03 1ocv s ALA 114 Ca -0.05 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 1ocv s ALA 114 Cb -0.11 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.01 1ocv s ALA 114 CO -0.07 -0.84 0.23 -1.17 0.00 0.00 0.00 175.76 173.91 1ocv s LEU 115 N 1.47 4.85 -0.13 0.00 0.20 -0.20 -0.55 118.68 124.32 1ocv s LEU 115 Ca 0.03 -1.02 -0.25 0.00 0.69 0.00 0.00 54.13 53.58 1ocv s LEU 115 Cb -0.17 -2.05 0.06 0.00 -0.43 0.00 0.00 46.19 43.60 1ocv s LEU 115 CO 0.01 -0.42 0.60 -1.66 -0.29 0.00 0.00 176.35 174.59 1ocv s TRP 116 N 1.57 -0.60 0.00 5.38 1.48 -1.26 -2.13 118.94 123.38 1ocv s TRP 116 Ca 0.03 1.24 0.00 0.00 -1.06 0.00 0.00 56.10 56.31 1ocv s TRP 116 Cb -0.19 0.29 0.00 0.00 -1.16 0.00 0.00 33.47 32.40 1ocv s TRP 116 CO 0.07 -0.45 0.00 0.41 -4.06 0.00 0.00 176.95 172.92 1ocv n GLY 117 N 1.77 4.81 0.28 3.67 0.00 -1.26 -4.77 105.19 109.68 1ocv n GLY 117 Ca -0.17 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.11 1ocv n GLY 117 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ocv h GLU 118 N 0.00 0.00 -0.00 1.61 4.39 -2.03 -0.45 114.58 118.10 1ocv h GLU 118 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ocv h GLU 118 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ocv h GLU 118 CO 0.00 0.05 -0.04 1.63 -1.16 0.00 0.00 179.01 179.49 1ocv n LYS 119 N -3.83 0.26 -0.34 2.33 4.01 -1.26 -3.16 118.16 116.17 1ocv n LYS 119 Ca -0.03 -0.02 0.09 0.00 -0.51 0.00 0.00 58.31 57.84 1ocv n LYS 119 Cb 0.14 -1.50 0.27 0.00 -0.51 0.00 0.00 35.03 33.43 1ocv n LYS 119 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1ocv n ASN 120 N -1.35 3.71 -4.27 4.39 4.13 -0.18 -4.85 115.26 116.84 1ocv n ASN 120 Ca 0.11 -2.08 -0.35 0.00 1.68 0.00 0.00 54.58 53.94 1ocv n ASN 120 Cb 0.29 -0.42 -0.14 0.00 -1.54 0.00 0.00 39.78 37.97 1ocv n ASN 120 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ocv s ILE 121 N -1.15 3.24 -0.31 2.41 1.01 -1.19 -0.93 121.20 124.28 1ocv s ILE 121 Ca 0.41 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1ocv s ILE 121 Cb 0.22 -2.54 0.07 0.00 0.01 0.00 0.00 42.46 40.22 1ocv s ILE 121 CO 0.26 0.32 0.01 -1.00 0.00 0.00 0.00 174.94 174.53 1ocv s HIS 122 N 1.43 3.41 0.48 3.97 3.76 0.73 -4.99 115.29 124.08 1ocv s HIS 122 Ca 0.04 -2.29 -0.07 0.00 -0.15 0.00 0.00 55.06 52.59 1ocv s HIS 122 Cb -0.15 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1ocv s HIS 122 CO -0.03 -0.88 0.81 0.00 -0.85 0.00 0.00 174.74 173.79 1ocv s ALA 123 N 1.13 3.36 0.00 -1.40 0.00 -1.26 -1.25 121.76 122.33 1ocv s ALA 123 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1ocv s ALA 123 Cb -0.20 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1ocv s ALA 123 CO -0.04 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1ocv n GLY 124 N -2.12 1.64 0.00 0.00 0.00 0.74 -4.96 105.19 100.49 1ocv n GLY 124 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1ocv n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32