#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghp s LEU 4 N 0.00 4.43 -2.10 3.41 1.98 -1.26 -2.54 118.68 122.61 3ghp s LEU 4 Ca 0.00 2.64 0.00 0.00 -2.89 0.00 0.00 54.13 53.88 3ghp s LEU 4 Cb 0.00 -3.64 0.00 0.00 0.66 0.00 0.00 46.19 43.21 3ghp s LEU 4 CO 0.00 -0.51 0.00 0.47 -1.89 0.00 0.00 176.35 174.42 3ghp n ASP 5 N 1.00 -5.45 -3.78 3.68 9.92 -1.26 -4.90 116.55 115.76 3ghp n ASP 5 Ca 0.01 0.45 -0.40 0.00 -0.53 0.00 0.00 54.79 54.32 3ghp n ASP 5 Cb 0.42 -4.70 0.00 0.00 -0.64 0.00 0.00 41.12 36.20 3ghp n ASP 5 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 3ghp n MET 6 N -2.46 4.52 -4.23 -1.24 1.56 -1.05 -5.01 117.12 109.21 3ghp n MET 6 Ca -0.20 -4.62 -0.14 0.00 -0.27 0.00 0.00 57.70 52.46 3ghp n MET 6 Cb 0.66 -2.46 -0.09 0.00 2.15 0.00 0.00 33.22 33.48 3ghp n MET 6 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 3ghp s ILE 7 N -3.33 0.01 0.00 1.12 -1.16 -1.26 -4.71 121.20 111.86 3ghp s ILE 7 Ca 0.35 -2.00 0.00 0.00 -0.51 0.00 0.00 60.65 58.49 3ghp s ILE 7 Cb 0.11 -2.50 0.00 0.00 0.61 0.00 0.00 42.46 40.68 3ghp s ILE 7 CO 0.01 0.00 0.78 0.29 -2.81 0.00 0.00 174.94 173.21 3ghp n LYS 8 N -0.38 1.44 -2.30 3.50 4.76 -1.26 -5.06 118.16 118.85 3ghp n LYS 8 Ca 0.04 -1.07 -0.26 0.00 -2.87 0.00 0.00 58.31 54.14 3ghp n LYS 8 Cb 0.65 -0.96 0.15 0.00 -1.84 0.00 0.00 35.03 33.03 3ghp n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ghp s ALA 9 N -0.59 3.05 -0.07 7.82 0.00 -1.26 -5.08 121.76 125.64 3ghp s ALA 9 Ca 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 3ghp s ALA 9 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3ghp s ALA 9 CO 0.00 -1.93 0.19 -1.12 0.00 0.00 0.00 175.76 172.90 3ghp s SER 10 N -4.82 6.44 -0.19 0.00 0.01 -1.26 -4.70 113.70 109.18 3ghp s SER 10 Ca 0.70 0.50 -0.36 0.00 1.31 0.00 0.00 55.95 58.11 3ghp s SER 10 Cb -0.04 -2.08 0.15 0.00 0.21 0.00 0.00 66.02 64.26 3ghp s SER 10 CO 0.48 0.35 1.40 -0.72 0.41 0.00 0.00 173.24 175.17 3ghp s TYR 11 N -1.13 -0.01 0.04 2.43 -0.85 -1.06 -2.47 117.35 114.29 3ghp s TYR 11 Ca 0.20 0.00 0.08 0.00 -0.52 0.00 0.00 57.07 56.83 3ghp s TYR 11 Cb -0.13 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 3ghp s TYR 11 CO 0.09 -0.03 -0.23 -1.50 -1.52 0.00 0.00 175.55 172.37 3ghp s ILE 12 N -2.05 1.82 0.32 -3.49 2.07 -0.88 0.67 121.20 119.66 3ghp s ILE 12 Ca 0.13 -1.27 -0.06 0.00 -1.41 0.00 0.00 60.65 58.05 3ghp s ILE 12 Cb 0.03 -1.58 0.02 0.00 0.13 0.00 0.00 42.46 41.07 3ghp s ILE 12 CO -0.05 0.26 0.52 1.07 -1.91 0.00 0.00 174.94 174.83 3ghp n THR 13 N 1.82 0.00 -4.16 4.00 5.66 -0.33 -0.54 114.28 120.73 3ghp n THR 13 Ca -0.17 -1.29 -0.20 0.00 -3.05 0.00 0.00 64.05 59.34 3ghp n THR 13 Cb 0.53 0.91 -0.16 0.00 -1.55 0.00 0.00 70.33 70.06 3ghp n THR 13 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3ghp s MET 14 N -2.47 0.85 0.04 1.09 1.75 -1.24 -2.07 119.30 117.26 3ghp s MET 14 Ca 0.21 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 54.55 3ghp s MET 14 Cb -0.02 -0.87 -0.04 0.00 2.84 0.00 0.00 34.83 36.74 3ghp s MET 14 CO 0.15 -0.09 0.13 0.20 -0.65 0.00 0.00 175.02 174.76 3ghp s GLY 15 N 0.95 2.08 0.05 2.11 0.00 0.27 -4.28 107.32 108.50 3ghp s GLY 15 Ca -0.11 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.73 3ghp s GLY 15 CO -0.00 -0.85 0.07 -0.19 0.00 0.00 0.00 173.10 172.13 3ghp s TYR 16 N -1.37 3.21 0.16 1.90 2.02 -1.26 -0.39 117.35 121.62 3ghp s TYR 16 Ca 0.29 0.12 0.06 0.00 -0.37 0.00 0.00 57.07 57.17 3ghp s TYR 16 Cb -0.12 -1.66 -0.06 0.00 -0.40 0.00 0.00 41.96 39.72 3ghp s TYR 16 CO 0.21 0.53 1.36 0.38 -1.57 0.00 0.00 175.55 176.46 3ghp h ASP 17 N 3.62 0.06 -5.00 2.29 2.03 -1.75 -3.46 116.42 114.22 3ghp h ASP 17 Ca -0.48 -0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 55.68 3ghp h ASP 17 Cb 1.17 -0.02 -0.19 0.00 -0.83 0.00 0.00 39.33 39.46 3ghp h ASP 17 CO 0.64 0.94 -0.02 -1.59 -1.03 0.00 0.00 179.24 178.18 3ghp s LYS 18 N -2.98 0.90 -0.04 4.15 0.00 -1.26 -5.01 119.74 115.50 3ghp s LYS 18 Ca -0.00 0.01 0.19 0.00 0.00 0.00 0.00 55.97 56.16 3ghp s LYS 18 Cb 0.10 0.42 0.60 0.00 0.00 0.00 0.00 37.83 38.95 3ghp s LYS 18 CO 0.81 -0.28 1.50 0.27 0.00 0.00 0.00 175.35 177.66 3ghp n ASN 19 N 0.98 3.80 -3.81 0.03 0.23 -1.26 -4.87 115.26 110.36 3ghp n ASN 19 Ca -0.20 -2.15 -0.13 0.00 -0.53 0.00 0.00 54.58 51.58 3ghp n ASN 19 Cb 0.57 -0.48 -0.13 0.00 -2.08 0.00 0.00 39.78 37.66 3ghp n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ghp s ALA 20 N -1.39 -0.25 -0.17 -2.53 0.00 -1.26 -1.53 121.76 114.64 3ghp s ALA 20 Ca 0.44 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.54 3ghp s ALA 20 Cb 0.25 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.20 3ghp s ALA 20 CO 0.27 -0.08 0.63 0.00 0.00 0.00 0.00 175.76 176.59 3ghp s ALA 21 N 0.32 -1.60 0.32 0.00 0.00 -1.26 -5.02 121.76 114.53 3ghp s ALA 21 Ca -0.02 1.57 -0.04 0.00 0.00 0.00 0.00 51.96 53.47 3ghp s ALA 21 Cb -0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3ghp s ALA 21 CO -0.01 -0.32 0.58 -1.21 0.00 0.00 0.00 175.76 174.79 3ghp s GLU 22 N -0.24 3.59 0.35 0.00 0.41 -1.26 -4.83 118.70 116.72 3ghp s GLU 22 Ca -0.04 -0.04 -0.25 0.00 -0.41 0.00 0.00 54.97 54.23 3ghp s GLU 22 Cb -0.03 -2.62 -0.13 0.00 -1.78 0.00 0.00 34.13 29.56 3ghp s GLU 22 CO 0.04 0.16 0.70 0.28 -0.49 0.00 0.00 175.26 175.94 3ghp n VAL 23 N -1.25 1.90 0.00 2.63 0.31 -1.26 -1.24 118.33 119.42 3ghp n VAL 23 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3ghp n VAL 23 Cb 0.54 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 3ghp n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ghp n GLY 24 N 1.62 2.79 3.91 2.92 0.00 0.84 -4.98 105.19 112.30 3ghp n GLY 24 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3ghp n GLY 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ghp s GLU 25 N -0.07 2.23 -0.08 1.61 -1.05 -0.38 -4.77 118.70 116.19 3ghp s GLU 25 Ca 0.00 0.01 0.05 0.00 -0.15 0.00 0.00 54.97 54.88 3ghp s GLU 25 Cb 0.00 -2.06 -0.01 0.00 -0.44 0.00 0.00 34.13 31.62 3ghp s GLU 25 CO 0.00 -1.33 -0.24 0.42 0.95 0.00 0.00 175.26 175.06 3ghp s ILE 26 N -3.39 2.07 -0.13 1.83 1.01 -1.26 -1.16 121.20 120.18 3ghp s ILE 26 Ca 0.60 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3ghp s ILE 26 Cb -0.11 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3ghp s ILE 26 CO 0.47 0.56 0.13 -0.63 0.00 0.00 0.00 174.94 175.48 3ghp s ILE 27 N 0.09 5.44 -0.45 2.92 1.01 -0.44 -4.89 121.20 124.87 3ghp s ILE 27 Ca -0.11 0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 3ghp s ILE 27 Cb -0.16 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 38.96 3ghp s ILE 27 CO 0.06 0.60 0.64 -0.54 0.00 0.00 0.00 174.94 175.71 3ghp s LYS 28 N -0.89 3.26 -0.43 2.79 1.02 -1.26 -1.33 119.74 122.90 3ghp s LYS 28 Ca 0.14 -0.43 -0.19 0.00 0.02 0.00 0.00 55.97 55.52 3ghp s LYS 28 Cb -0.12 -3.97 0.02 0.00 -0.52 0.00 0.00 37.83 33.25 3ghp s LYS 28 CO 0.03 -1.04 0.52 0.00 -0.92 0.00 0.00 175.35 173.95 3ghp s ALA 29 N 2.81 3.39 -0.18 5.17 0.00 0.93 -1.89 121.76 132.00 3ghp s ALA 29 Ca 0.22 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 3ghp s ALA 29 Cb -0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3ghp s ALA 29 CO 0.18 -1.69 0.00 0.99 0.00 0.00 0.00 175.76 175.24 3ghp s THR 30 N 2.42 4.11 0.06 0.00 2.01 0.47 -1.00 115.64 123.72 3ghp s THR 30 Ca 0.16 -0.27 -0.19 0.00 0.31 0.00 0.00 61.69 61.71 3ghp s THR 30 Cb -0.16 -2.84 -0.07 0.00 0.01 0.00 0.00 72.50 69.44 3ghp s THR 30 CO 0.15 0.45 0.54 -0.69 -0.69 0.00 0.00 174.62 174.39 3ghp s VAL 31 N 0.68 4.78 -0.04 3.82 1.01 -0.37 0.94 120.40 131.21 3ghp s VAL 31 Ca -0.00 1.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.92 3ghp s VAL 31 Cb -0.14 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.42 3ghp s VAL 31 CO 0.02 0.56 0.48 -1.59 0.00 0.00 0.00 175.10 174.57 3ghp s LYS 32 N -1.11 0.82 0.41 2.72 -2.85 -0.88 0.29 119.74 119.15 3ghp s LYS 32 Ca 0.28 0.07 0.07 0.00 -1.00 0.00 0.00 55.97 55.40 3ghp s LYS 32 Cb -0.19 0.38 -0.06 0.00 -2.06 0.00 0.00 37.83 35.90 3ghp s LYS 32 CO 0.18 -0.23 0.13 0.96 0.10 0.00 0.00 175.35 176.48 3ghp s ILE 33 N -1.13 2.25 -0.05 3.79 -4.36 -1.10 -1.19 121.20 119.42 3ghp s ILE 33 Ca -0.11 -1.79 -0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3ghp s ILE 33 Cb -0.03 -2.99 0.03 0.00 1.25 0.00 0.00 42.46 40.72 3ghp s ILE 33 CO 0.06 -0.01 -0.01 0.21 0.24 0.00 0.00 174.94 175.43 3ghp s ASN 34 N -3.84 1.17 -0.98 4.36 2.47 0.21 -2.21 114.94 116.13 3ghp s ASN 34 Ca 0.39 -0.08 -0.14 0.00 0.42 0.00 0.00 52.86 53.45 3ghp s ASN 34 Cb 0.05 -0.40 0.02 0.00 -1.45 0.00 0.00 41.25 39.47 3ghp s ASN 34 CO 0.21 -0.14 0.63 0.29 -3.72 0.00 0.00 177.10 174.38 3ghp n LYS 35 N 4.63 -1.02 -3.51 0.43 5.02 0.27 -2.57 118.16 121.41 3ghp n LYS 35 Ca -0.16 0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 56.19 3ghp n LYS 35 Cb 0.50 -2.37 -0.09 0.00 -0.02 0.00 0.00 35.03 33.05 3ghp n LYS 35 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ghp s ILE 36 N -3.20 4.77 -0.11 -0.18 1.09 0.13 -4.67 121.20 119.03 3ghp s ILE 36 Ca 0.20 -1.10 -0.37 0.00 -1.10 0.00 0.00 60.65 58.28 3ghp s ILE 36 Cb -0.11 -3.81 -0.15 0.00 -1.06 0.00 0.00 42.46 37.33 3ghp s ILE 36 CO 0.93 -0.46 1.67 0.41 -0.10 0.00 0.00 174.94 177.39 3ghp n THR 37 N 5.06 0.27 -3.01 2.92 -1.04 -1.26 -2.18 114.28 115.04 3ghp n THR 37 Ca -0.11 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.65 3ghp n THR 37 Cb 0.44 -1.32 0.01 0.00 -1.82 0.00 0.00 70.33 67.64 3ghp n THR 37 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ghp n ASN 38 N 4.84 -4.45 -4.74 8.00 3.02 -1.26 -4.81 115.26 115.85 3ghp n ASN 38 Ca 0.23 -0.21 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 3ghp n ASN 38 Cb 0.20 -3.68 0.05 0.00 -0.61 0.00 0.00 39.78 35.74 3ghp n ASN 38 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ghp s PHE 39 N -2.92 2.21 0.00 3.10 2.19 -0.93 -0.33 117.98 121.30 3ghp s PHE 39 Ca 0.26 1.50 0.00 0.00 0.33 0.00 0.00 56.93 59.02 3ghp s PHE 39 Cb -0.13 -3.60 0.00 0.00 -1.31 0.00 0.00 43.02 37.98 3ghp s PHE 39 CO 0.32 -2.62 0.05 -1.13 1.83 0.00 0.00 175.22 173.67 3ghp n SER 40 N -1.79 0.00 0.00 6.13 3.41 -1.04 -4.21 113.62 116.11 3ghp n SER 40 Ca 0.15 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 3ghp n SER 40 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3ghp n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ghp n GLY 41 N 0.00 1.79 3.06 5.00 0.00 -1.26 -1.25 105.19 112.53 3ghp n GLY 41 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 3ghp n GLY 41 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ghp s TYR 42 N -2.00 0.56 -0.03 1.61 -0.85 0.20 -2.25 117.35 114.58 3ghp s TYR 42 Ca 0.00 -0.65 0.03 0.00 -0.52 0.00 0.00 57.07 55.93 3ghp s TYR 42 Cb 0.00 -0.35 0.00 0.00 0.38 0.00 0.00 41.96 41.99 3ghp s TYR 42 CO 0.00 -0.17 -0.10 -1.14 -1.52 0.00 0.00 175.55 172.62 3ghp s GLN 43 N -2.21 1.12 0.12 -3.49 0.74 -0.55 -2.17 119.66 113.22 3ghp s GLN 43 Ca -0.06 -0.35 0.00 0.00 0.05 0.00 0.00 55.36 55.00 3ghp s GLN 43 Cb -0.05 -1.02 -0.04 0.00 1.10 0.00 0.00 33.01 33.00 3ghp s GLN 43 CO -0.02 0.12 0.01 0.14 -0.55 0.00 0.00 175.29 174.98 3ghp s VAL 44 N 0.22 0.37 -0.04 1.34 -7.23 0.00 -1.28 120.40 113.79 3ghp s VAL 44 Ca -0.04 -1.92 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3ghp s VAL 44 Cb -0.10 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.95 3ghp s VAL 44 CO 0.01 -0.62 0.00 0.21 -0.31 0.00 0.00 175.10 174.39 3ghp s ASN 45 N -3.06 0.77 0.08 4.85 3.84 -0.74 -0.61 114.94 120.08 3ghp s ASN 45 Ca 0.19 -0.03 0.06 0.00 0.21 0.00 0.00 52.86 53.29 3ghp s ASN 45 Cb 0.07 -0.27 -0.03 0.00 -0.55 0.00 0.00 41.25 40.47 3ghp s ASN 45 CO -0.01 -0.13 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.38 3ghp s ILE 46 N 1.33 1.28 -0.04 -5.21 1.01 0.19 -2.26 121.20 117.50 3ghp s ILE 46 Ca -0.05 -1.38 0.06 0.00 0.00 0.00 0.00 60.65 59.27 3ghp s ILE 46 Cb -0.13 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 3ghp s ILE 46 CO -0.02 -0.19 -0.22 -0.75 0.00 0.00 0.00 174.94 173.76 3ghp s LYS 47 N -1.81 2.07 0.18 2.79 2.47 0.43 -1.30 119.74 124.57 3ghp s LYS 47 Ca 0.01 -0.78 -0.09 0.00 -1.56 0.00 0.00 55.97 53.55 3ghp s LYS 47 Cb -0.10 -1.84 -0.01 0.00 -1.46 0.00 0.00 37.83 34.42 3ghp s LYS 47 CO 0.03 0.38 0.30 1.52 0.16 0.00 0.00 175.35 177.73 3ghp s TYR 48 N -0.23 0.48 -0.60 4.03 -0.85 -0.38 -1.99 117.35 117.80 3ghp s TYR 48 Ca 0.01 -0.83 -0.25 0.00 -0.52 0.00 0.00 57.07 55.48 3ghp s TYR 48 Cb -0.11 -0.08 0.04 0.00 0.38 0.00 0.00 41.96 42.19 3ghp s TYR 48 CO 0.02 -0.75 1.05 0.34 -1.52 0.00 0.00 175.55 174.68 3ghp s ASP 49 N -3.00 6.32 0.45 -0.18 2.15 -1.26 -4.44 116.67 116.71 3ghp s ASP 49 Ca 0.20 -0.34 0.13 0.00 0.43 0.00 0.00 52.55 52.97 3ghp s ASP 49 Cb 0.03 -2.48 1.02 0.00 -0.30 0.00 0.00 42.92 41.19 3ghp s ASP 49 CO 0.03 -1.40 2.03 -0.65 -0.17 0.00 0.00 175.17 175.01 3ghp h PRO 50 N 9.50 0.11 0.00 4.34 0.11 -1.89 1.38 132.00 145.55 3ghp h PRO 50 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3ghp h PRO 50 Cb 1.07 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ghp h PRO 50 CO 1.15 0.19 0.00 0.25 -0.21 0.00 0.00 178.00 179.38 3ghp n THR 51 N -4.39 0.18 0.00 -1.15 -2.24 -1.26 -3.59 114.28 101.82 3ghp n THR 51 Ca -0.02 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3ghp n THR 51 Cb 0.18 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3ghp n THR 51 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ghp n VAL 52 N -1.31 0.00 -4.14 2.28 0.31 0.99 -4.70 118.33 111.75 3ghp n VAL 52 Ca 0.11 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.28 3ghp n VAL 52 Cb 0.22 -0.28 -0.15 0.00 -0.91 0.00 0.00 33.84 32.72 3ghp n VAL 52 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ghp s LEU 53 N -3.17 1.78 -0.15 7.52 1.43 0.44 -1.52 118.68 125.01 3ghp s LEU 53 Ca 0.00 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3ghp s LEU 53 Cb 0.00 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 3ghp s LEU 53 CO 0.00 0.02 -0.01 -1.58 0.23 0.00 0.00 176.35 175.01 3ghp s GLN 54 N 0.21 3.61 -0.22 1.70 0.74 -0.52 -4.14 119.66 121.03 3ghp s GLN 54 Ca -0.02 -0.47 -0.23 0.00 0.05 0.00 0.00 55.36 54.68 3ghp s GLN 54 Cb -0.06 -2.95 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 3ghp s GLN 54 CO -0.00 0.33 0.77 0.00 -0.55 0.00 0.00 175.29 175.84 3ghp s ALA 55 N 0.15 3.60 0.27 1.58 0.00 -1.26 0.88 121.76 126.98 3ghp s ALA 55 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3ghp s ALA 55 Cb -0.13 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3ghp s ALA 55 CO 0.02 -0.81 0.01 0.14 0.00 0.00 0.00 175.76 175.13 3ghp s VAL 56 N 2.53 1.17 0.40 0.00 -7.23 0.35 0.09 120.40 117.71 3ghp s VAL 56 Ca 0.33 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.20 3ghp s VAL 56 Cb -0.16 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 3ghp s VAL 56 CO 0.09 -0.21 1.27 0.21 -0.31 0.00 0.00 175.10 176.15 3ghp s ASN 57 N -3.39 6.37 0.10 4.85 3.84 0.13 -1.65 114.94 125.20 3ghp s ASN 57 Ca 0.32 2.57 0.24 0.00 0.21 0.00 0.00 52.86 56.19 3ghp s ASN 57 Cb 0.06 -2.63 0.27 0.00 -0.55 0.00 0.00 41.25 38.40 3ghp s ASN 57 CO 0.12 -0.80 1.24 -2.65 -2.79 0.00 0.00 177.10 172.22 3ghp n PRO 58 N 0.13 0.29 -0.05 0.43 -0.02 -1.26 -0.84 135.00 133.68 3ghp n PRO 58 Ca 0.04 0.06 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 3ghp n PRO 58 Cb 0.44 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.25 3ghp n PRO 58 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3ghp h LYS 59 N 0.00 0.00 0.00 -0.52 3.64 -1.97 -3.41 116.57 114.30 3ghp h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ghp h LYS 59 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3ghp h LYS 59 CO 0.00 0.00 -0.05 1.79 -2.27 0.00 0.00 179.45 178.92 3ghp h THR 60 N -0.80 0.00 0.00 1.00 1.35 -1.98 -3.46 112.91 109.02 3ghp h THR 60 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3ghp h THR 60 Cb 0.33 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3ghp h THR 60 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3ghp n GLY 61 N 1.23 0.48 3.73 5.82 0.00 -0.02 -4.96 105.19 111.48 3ghp n GLY 61 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3ghp n GLY 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghp s VAL 62 N -1.93 2.98 0.44 1.61 1.01 -1.26 -4.62 120.40 118.63 3ghp s VAL 62 Ca 0.00 0.77 -0.25 0.00 0.00 0.00 0.00 61.98 62.50 3ghp s VAL 62 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 3ghp s VAL 62 CO 0.00 0.10 1.30 0.00 0.00 0.00 0.00 175.10 176.50 3ghp s ALA 63 N 0.43 3.15 0.48 5.51 0.00 -1.26 0.20 121.76 130.27 3ghp s ALA 63 Ca 0.61 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 53.56 3ghp s ALA 63 Cb -0.39 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.17 3ghp s ALA 63 CO 0.37 -0.91 1.27 0.71 0.00 0.00 0.00 175.76 177.20 3ghp s TYR 64 N -1.30 2.64 0.12 0.00 1.51 0.11 -4.79 117.35 115.64 3ghp s TYR 64 Ca 0.60 1.44 0.02 0.00 -1.01 0.00 0.00 57.07 58.13 3ghp s TYR 64 Cb -0.38 -3.61 -0.04 0.00 -0.11 0.00 0.00 41.96 37.83 3ghp s TYR 64 CO 0.47 -2.16 0.24 0.99 -1.11 0.00 0.00 175.55 173.98 3ghp s THR 65 N -1.39 5.22 0.00 -0.71 2.01 -1.26 -4.97 115.64 114.54 3ghp s THR 65 Ca 0.65 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.01 3ghp s THR 65 Cb -0.35 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.52 3ghp s THR 65 CO 0.43 -0.01 0.74 -0.46 -0.69 0.00 0.00 174.62 174.63 3ghp n ASN 66 N -0.21 2.16 0.00 3.53 0.23 -1.26 -0.01 115.26 119.70 3ghp n ASN 66 Ca -0.07 -1.39 0.00 0.00 -0.53 0.00 0.00 54.58 52.59 3ghp n ASN 66 Cb 0.53 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 3ghp n ASN 66 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3ghp n SER 67 N 0.79 0.30 -4.77 0.53 3.41 -1.26 -1.07 113.62 111.55 3ghp n SER 67 Ca 0.00 -1.15 -0.41 0.00 -0.26 0.00 0.00 58.87 57.05 3ghp n SER 67 Cb 0.33 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 3ghp n SER 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ghp s SER 68 N -0.15 6.52 0.24 4.04 0.01 0.98 -4.29 113.70 121.05 3ghp s SER 68 Ca 0.00 2.87 -0.30 0.00 1.31 0.00 0.00 55.95 59.83 3ghp s SER 68 Cb 0.00 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 3ghp s SER 68 CO 0.00 -0.75 1.01 -0.76 0.41 0.00 0.00 173.24 173.16 3ghp s LEU 69 N -1.57 4.59 0.75 2.44 1.43 -1.26 -4.02 118.68 121.04 3ghp s LEU 69 Ca 0.54 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.59 3ghp s LEU 69 Cb -0.44 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.21 3ghp s LEU 69 CO 0.55 -0.00 1.08 -2.16 0.23 0.00 0.00 176.35 176.05 3ghp s PRO 70 N -1.10 2.47 0.13 1.29 0.05 -1.26 -5.01 135.00 131.58 3ghp s PRO 70 Ca 0.44 0.85 -0.27 0.00 0.05 0.00 0.00 61.00 62.06 3ghp s PRO 70 Cb -0.28 -1.95 -0.07 0.00 0.05 0.00 0.00 34.50 32.25 3ghp s PRO 70 CO 0.35 -1.40 0.86 0.99 0.05 0.00 0.00 177.00 177.85 3ghp s THR 71 N -3.07 4.45 0.36 1.26 2.01 -0.60 -4.87 115.64 115.18 3ghp s THR 71 Ca 0.60 1.87 -0.26 0.00 0.31 0.00 0.00 61.69 64.21 3ghp s THR 71 Cb -0.15 -4.22 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 3ghp s THR 71 CO 0.55 0.41 1.06 -0.44 -0.69 0.00 0.00 174.62 175.51 3ghp s SER 72 N -0.51 6.92 0.00 3.53 0.01 -1.26 0.92 113.70 123.30 3ghp s SER 72 Ca 0.41 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.76 3ghp s SER 72 Cb -0.23 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.40 3ghp s SER 72 CO 0.27 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.15 3ghp n GLY 73 N 0.60 1.76 0.11 3.44 0.00 -1.13 -4.73 105.19 105.24 3ghp n GLY 73 Ca 0.03 -1.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 3ghp n GLY 73 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ghp h GLU 74 N 0.00 0.28 -6.64 1.61 5.08 -1.85 -3.45 114.58 109.61 3ghp h GLU 74 Ca 0.00 -0.47 -0.49 0.00 -1.00 0.00 0.00 59.36 57.40 3ghp h GLU 74 Cb 0.00 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3ghp h GLU 74 CO 0.00 1.21 -0.09 -0.51 -1.00 0.00 0.00 179.01 178.62 3ghp s LEU 75 N -7.13 3.91 -1.19 1.33 1.43 -0.99 -4.21 118.68 111.84 3ghp s LEU 75 Ca -0.05 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3ghp s LEU 75 Cb 0.07 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3ghp s LEU 75 CO 0.88 -0.36 0.00 0.18 0.23 0.00 0.00 176.35 177.28 3ghp n LEU 76 N -1.76 -0.73 -0.46 1.79 4.77 -1.26 -4.82 117.00 114.53 3ghp n LEU 76 Ca -0.03 0.28 0.07 0.00 -0.03 0.00 0.00 56.01 56.31 3ghp n LEU 76 Cb 0.55 -1.94 0.19 0.00 -2.33 0.00 0.00 43.42 39.89 3ghp n LEU 76 CO 0.50 -0.67 0.58 1.33 -1.33 0.00 0.00 177.39 177.80 3ghp n VAL 77 N -2.59 2.11 -3.01 4.08 0.24 -1.26 -4.69 118.33 113.21 3ghp n VAL 77 Ca -0.11 -2.40 -0.40 0.00 -2.04 0.00 0.00 64.34 59.39 3ghp n VAL 77 Cb 0.41 -0.25 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 3ghp n VAL 77 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ghp s SER 78 N -2.69 6.90 0.25 -1.34 0.15 -1.26 -4.94 113.70 110.77 3ghp s SER 78 Ca 0.37 1.09 -0.04 0.00 0.70 0.00 0.00 55.95 58.07 3ghp s SER 78 Cb 0.32 -2.41 0.30 0.00 -1.71 0.00 0.00 66.02 62.52 3ghp s SER 78 CO 0.02 -0.25 1.80 -0.33 1.20 0.00 0.00 173.24 175.68 3ghp h GLU 79 N 7.14 0.97 -0.82 5.44 4.39 -1.99 -3.06 114.58 126.65 3ghp h GLU 79 Ca -0.34 -0.20 0.20 0.00 0.34 0.00 0.00 59.36 59.36 3ghp h GLU 79 Cb 1.16 -0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 29.54 3ghp h GLU 79 CO 0.79 0.84 0.23 -0.44 -1.16 0.00 0.00 179.01 179.27 3ghp h ASP 80 N 0.93 0.06 -0.52 1.42 3.45 -2.01 -1.36 116.42 118.39 3ghp h ASP 80 Ca 0.21 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.83 3ghp h ASP 80 Cb 0.29 0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 3ghp h ASP 80 CO -0.01 -0.08 0.00 -1.22 -1.57 0.00 0.00 179.24 176.37 3ghp n TYR 81 N -5.17 0.68 -2.98 4.55 0.53 -1.15 -4.84 117.16 108.78 3ghp n TYR 81 Ca 0.18 -0.34 -0.12 0.00 -1.02 0.00 0.00 57.90 56.60 3ghp n TYR 81 Cb 0.58 0.00 0.06 0.00 -1.03 0.00 0.00 39.34 38.94 3ghp n TYR 81 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ghp n GLY 82 N 1.41 -0.05 3.76 2.72 0.00 -0.51 0.29 105.19 112.81 3ghp n GLY 82 Ca 0.19 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3ghp n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ghp s PRO 83 N -5.11 3.53 -0.01 1.61 0.04 -1.26 -3.11 135.00 130.70 3ghp s PRO 83 Ca 0.10 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.38 3ghp s PRO 83 Cb -0.04 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.01 3ghp s PRO 83 CO 0.46 -0.88 -0.01 -1.50 0.04 0.00 0.00 177.00 175.11 3ghp s ILE 84 N -1.28 0.12 0.25 0.56 2.07 -0.35 -4.95 121.20 117.62 3ghp s ILE 84 Ca 0.65 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.89 3ghp s ILE 84 Cb -0.40 -0.14 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 3ghp s ILE 84 CO 0.50 0.06 0.04 0.54 -1.91 0.00 0.00 174.94 174.17 3ghp s VAL 85 N 0.23 0.86 -0.27 4.00 0.11 -1.26 -1.92 120.40 122.15 3ghp s VAL 85 Ca -0.02 -2.01 -0.30 0.00 -2.93 0.00 0.00 61.98 56.72 3ghp s VAL 85 Cb -0.04 -2.52 0.18 0.00 -1.53 0.00 0.00 36.38 32.48 3ghp s VAL 85 CO -0.01 -0.16 1.31 -1.58 -3.33 0.00 0.00 175.10 171.34 3ghp s GLN 86 N -3.93 0.13 0.12 1.54 0.74 -0.28 -4.99 119.66 112.98 3ghp s GLN 86 Ca 0.33 0.03 0.07 0.00 0.05 0.00 0.00 55.36 55.84 3ghp s GLN 86 Cb 0.07 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 3ghp s GLN 86 CO 0.11 -0.04 -0.17 0.20 -0.55 0.00 0.00 175.29 174.84 3ghp s GLY 87 N -1.07 1.15 -0.16 2.59 0.00 -1.26 -1.45 107.32 107.12 3ghp s GLY 87 Ca 0.08 -1.26 -0.07 0.00 0.00 0.00 0.00 44.72 43.46 3ghp s GLY 87 CO -0.07 -1.30 0.37 0.14 0.00 0.00 0.00 173.10 172.25 3ghp s VAL 88 N -1.67 -0.23 0.22 1.40 1.01 0.36 -4.43 120.40 117.06 3ghp s VAL 88 Ca 0.07 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3ghp s VAL 88 Cb -0.07 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3ghp s VAL 88 CO 0.04 0.06 0.08 -1.00 0.00 0.00 0.00 175.10 174.28 3ghp s HIS 89 N 1.80 1.32 -0.56 5.22 3.76 -0.23 -1.45 115.29 125.15 3ghp s HIS 89 Ca -0.06 -1.21 0.05 0.00 -0.15 0.00 0.00 55.06 53.69 3ghp s HIS 89 Cb -0.10 -0.74 0.19 0.00 1.11 0.00 0.00 32.58 33.04 3ghp s HIS 89 CO -0.12 -0.41 0.47 1.63 -0.85 0.00 0.00 174.74 175.47 3ghp n LYS 90 N -0.34 1.20 0.22 1.40 4.76 -0.51 -4.74 118.16 120.16 3ghp n LYS 90 Ca -0.01 -3.90 0.06 0.00 -2.87 0.00 0.00 58.31 51.59 3ghp n LYS 90 Cb 0.65 -1.94 0.54 0.00 -1.84 0.00 0.00 35.03 32.44 3ghp n LYS 90 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3ghp h ILE 91 N 4.06 1.09 -0.71 -0.18 5.03 -1.94 0.14 117.51 125.00 3ghp h ILE 91 Ca 0.19 -0.43 0.11 0.00 -0.12 0.00 0.00 64.86 64.61 3ghp h ILE 91 Cb 0.81 1.20 -0.12 0.00 -3.03 0.00 0.00 36.82 35.68 3ghp h ILE 91 CO 0.58 0.12 -0.39 0.28 -0.68 0.00 0.00 178.15 178.06 3ghp h SER 92 N 0.03 -1.37 -0.37 1.72 0.02 -1.93 -2.23 113.55 109.42 3ghp h SER 92 Ca 0.01 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3ghp h SER 92 Cb 0.21 0.67 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3ghp h SER 92 CO 0.01 -0.31 0.00 -0.62 -1.14 0.00 0.00 176.83 174.78 3ghp n GLU 93 N -5.43 2.34 -2.50 3.45 1.02 0.43 -4.85 120.64 115.09 3ghp n GLU 93 Ca 0.05 -1.54 -0.15 0.00 -0.02 0.00 0.00 57.16 55.51 3ghp n GLU 93 Cb 0.36 -1.52 0.01 0.00 -0.02 0.00 0.00 31.44 30.27 3ghp n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ghp n GLY 94 N 0.87 -0.17 3.30 0.62 0.00 -0.84 -4.82 105.19 104.16 3ghp n GLY 94 Ca 0.14 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3ghp n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ghp s ILE 95 N -2.83 2.11 -0.01 -0.61 1.01 -0.89 -1.25 121.20 118.73 3ghp s ILE 95 Ca 0.10 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.70 3ghp s ILE 95 Cb -0.04 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 3ghp s ILE 95 CO 0.12 0.58 -0.07 -0.76 0.00 0.00 0.00 174.94 174.81 3ghp s LEU 96 N -0.44 1.89 -0.06 2.97 1.43 -0.42 -1.42 118.68 122.63 3ghp s LEU 96 Ca 0.05 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3ghp s LEU 96 Cb -0.11 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.72 3ghp s LEU 96 CO 0.01 0.07 -0.09 0.21 0.23 0.00 0.00 176.35 176.77 3ghp s ASN 97 N 0.02 1.51 0.01 2.29 2.47 -0.53 0.52 114.94 121.23 3ghp s ASN 97 Ca 0.00 -0.24 0.04 0.00 0.42 0.00 0.00 52.86 53.08 3ghp s ASN 97 Cb -0.05 -0.70 -0.01 0.00 -1.45 0.00 0.00 41.25 39.04 3ghp s ASN 97 CO -0.00 -0.00 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.49 3ghp s LEU 98 N 0.79 2.08 -0.10 3.21 1.43 0.23 -0.49 118.68 125.83 3ghp s LEU 98 Ca -0.13 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3ghp s LEU 98 Cb -0.15 -0.60 0.05 0.00 0.03 0.00 0.00 46.19 45.51 3ghp s LEU 98 CO 0.02 0.10 0.23 -0.44 0.23 0.00 0.00 176.35 176.49 3ghp s SER 99 N -0.62 -0.16 0.00 2.29 0.01 -0.53 -0.82 113.70 113.88 3ghp s SER 99 Ca 0.03 0.50 0.01 0.00 1.31 0.00 0.00 55.95 57.80 3ghp s SER 99 Cb -0.06 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.57 3ghp s SER 99 CO 0.00 -0.17 -0.05 -0.60 0.41 0.00 0.00 173.24 172.83 3ghp s ARG 100 N 1.39 0.36 -0.23 12.44 3.52 -0.92 -1.13 118.95 134.39 3ghp s ARG 100 Ca -0.08 -0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 55.11 3ghp s ARG 100 Cb -0.11 -0.32 0.06 0.00 -1.56 0.00 0.00 34.95 33.02 3ghp s ARG 100 CO -0.08 0.08 0.59 -1.12 -0.81 0.00 0.00 175.30 173.97 3ghp s SER 101 N -0.25 -0.65 1.01 -2.12 0.01 -0.81 -0.63 113.70 110.26 3ghp s SER 101 Ca 0.00 1.21 -0.12 0.00 1.31 0.00 0.00 55.95 58.36 3ghp s SER 101 Cb -0.03 1.20 0.20 0.00 0.21 0.00 0.00 66.02 67.60 3ghp s SER 101 CO -0.00 -0.21 1.08 -0.31 0.41 0.00 0.00 173.24 174.21 3ghp s TYR 102 N 0.54 1.82 0.00 2.43 4.12 -0.38 -1.21 117.35 124.67 3ghp s TYR 102 Ca -0.02 1.29 0.00 0.00 0.02 0.00 0.00 57.07 58.36 3ghp s TYR 102 Cb -0.05 -3.18 0.00 0.00 -1.52 0.00 0.00 41.96 37.21 3ghp s TYR 102 CO -0.02 -3.07 0.00 -2.37 0.02 0.00 0.00 175.55 170.11 3ghp n THR 103 N -4.36 0.00 -2.74 -0.71 5.66 0.71 -4.83 114.28 108.01 3ghp n THR 103 Ca 0.06 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.63 3ghp n THR 103 Cb 0.55 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.33 3ghp n THR 103 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ghp n ALA 104 N -0.16 5.26 -0.17 1.79 0.00 0.14 -4.86 120.51 122.52 3ghp n ALA 104 Ca 0.00 -4.61 -0.07 0.00 0.00 0.00 0.00 53.44 48.76 3ghp n ALA 104 Cb 0.00 -2.60 0.09 0.00 0.00 0.00 0.00 19.45 16.94 3ghp n ALA 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ghp h LEU 105 N 6.39 0.92 -0.06 0.00 4.07 -1.89 -1.32 115.31 123.42 3ghp h LEU 105 Ca 0.28 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 58.04 3ghp h LEU 105 Cb 0.62 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 3ghp h LEU 105 CO 1.45 0.96 -0.16 -0.08 -1.08 0.00 0.00 178.44 179.53 3ghp h GLU 106 N 0.89 -0.23 -0.47 1.13 4.81 -1.89 0.27 114.58 119.08 3ghp h GLU 106 Ca 0.17 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3ghp h GLU 106 Cb 0.48 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 3ghp h GLU 106 CO 0.02 -0.15 0.15 0.28 -0.73 0.00 0.00 179.01 178.57 3ghp h VAL 107 N -0.24 0.81 -0.41 0.32 2.07 -1.86 -0.17 116.25 116.79 3ghp h VAL 107 Ca 0.07 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3ghp h VAL 107 Cb 0.34 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3ghp h VAL 107 CO -0.20 0.06 0.07 0.22 0.02 0.00 0.00 177.57 177.74 3ghp h TYR 108 N 0.31 0.12 -0.76 1.57 3.20 -0.82 -2.40 116.97 118.19 3ghp h TYR 108 Ca 0.23 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 3ghp h TYR 108 Cb 0.25 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3ghp h TYR 108 CO -0.18 0.00 0.27 0.00 -1.64 0.00 0.00 178.16 176.62 3ghp h ARG 109 N 0.20 1.15 -0.69 1.82 3.08 0.39 -2.09 114.38 118.25 3ghp h ARG 109 Ca 0.20 -0.22 0.13 0.00 0.07 0.00 0.00 59.98 60.16 3ghp h ARG 109 Cb 0.24 -0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.02 3ghp h ARG 109 CO -0.26 0.95 0.20 0.00 -1.07 0.00 0.00 179.97 179.79 3ghp h ALA 110 N 1.18 0.89 0.00 0.04 0.00 -0.58 -1.12 119.26 119.66 3ghp h ALA 110 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3ghp h ALA 110 Cb 0.26 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ghp h ALA 110 CO -0.01 -0.28 0.34 0.66 0.00 0.00 0.00 179.25 179.96 3ghp h SER 111 N 0.32 0.00 -2.91 0.00 4.64 -0.94 -3.44 113.55 111.22 3ghp h SER 111 Ca 0.37 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.57 3ghp h SER 111 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3ghp h SER 111 CO -0.43 0.00 -0.14 -0.62 -0.87 0.00 0.00 176.83 174.77 3ghp n GLU 112 N -2.79 -1.79 -3.58 4.77 1.02 -0.42 -4.87 120.64 112.96 3ghp n GLU 112 Ca -0.02 0.34 -0.29 0.00 -0.02 0.00 0.00 57.16 57.17 3ghp n GLU 112 Cb 0.39 -4.65 -0.14 0.00 -0.02 0.00 0.00 31.44 27.01 3ghp n GLU 112 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ghp s SER 113 N -1.75 3.52 0.55 1.62 1.04 -1.26 -5.14 113.70 112.28 3ghp s SER 113 Ca 0.00 -1.71 -0.10 0.00 0.48 0.00 0.00 55.95 54.63 3ghp s SER 113 Cb 0.00 -0.54 -0.05 0.00 0.10 0.00 0.00 66.02 65.54 3ghp s SER 113 CO 0.00 -0.39 0.93 -2.16 0.98 0.00 0.00 173.24 172.61 3ghp s PRO 114 N 1.59 3.64 -0.36 4.02 0.04 -1.26 -5.05 135.00 137.62 3ghp s PRO 114 Ca 0.12 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 3ghp s PRO 114 Cb -0.19 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.17 3ghp s PRO 114 CO -0.22 -0.39 0.21 -1.21 0.04 0.00 0.00 177.00 175.43 3ghp s GLU 115 N -4.81 3.01 0.00 4.56 2.02 -1.26 -4.94 118.70 117.28 3ghp s GLU 115 Ca 0.53 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.56 3ghp s GLU 115 Cb -0.11 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.40 3ghp s GLU 115 CO 0.47 -0.62 0.00 0.39 0.02 0.00 0.00 175.26 175.52 3ghp n GLU 116 N 5.02 3.90 -3.96 1.61 1.02 -1.26 -3.80 120.64 123.17 3ghp n GLU 116 Ca -0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.87 3ghp n GLU 116 Cb 0.47 -0.70 -0.15 0.00 -0.02 0.00 0.00 31.44 31.04 3ghp n GLU 116 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ghp s THR 117 N -1.38 0.16 0.00 2.62 2.01 -1.26 0.21 115.64 117.99 3ghp s THR 117 Ca 0.00 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3ghp s THR 117 Cb 0.00 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.33 3ghp s THR 117 CO 0.00 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 3ghp n GLY 118 N 3.46 2.94 3.66 4.40 0.00 -0.94 -4.95 105.19 113.76 3ghp n GLY 118 Ca -0.18 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 3ghp n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghp s THR 119 N -2.03 2.43 0.00 2.61 -4.23 -1.26 -2.70 115.64 110.45 3ghp s THR 119 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3ghp s THR 119 Cb 0.00 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.41 3ghp s THR 119 CO 0.00 -0.18 0.00 0.18 -0.54 0.00 0.00 174.62 174.08 3ghp n LEU 120 N -4.17 1.10 -3.60 4.79 4.77 0.15 -2.34 117.00 117.69 3ghp n LEU 120 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 3ghp n LEU 120 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3ghp n LEU 120 CO 0.55 0.16 0.22 0.00 -1.33 0.00 0.00 177.39 176.99 3ghp s ALA 121 N -1.44 -1.06 -0.06 -1.18 0.00 -1.21 -2.82 121.76 113.98 3ghp s ALA 121 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 3ghp s ALA 121 Cb 0.00 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.91 3ghp s ALA 121 CO 0.00 -0.69 0.12 0.08 0.00 0.00 0.00 175.76 175.27 3ghp s VAL 122 N -3.80 -0.13 0.01 0.00 1.01 0.26 -1.24 120.40 116.51 3ghp s VAL 122 Ca 0.03 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.33 3ghp s VAL 122 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3ghp s VAL 122 CO -0.11 0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.29 3ghp s VAL 123 N 1.67 0.95 -0.10 2.92 1.01 -0.17 -1.55 120.40 125.13 3ghp s VAL 123 Ca -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3ghp s VAL 123 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3ghp s VAL 123 CO -0.05 0.11 -0.02 -0.83 0.00 0.00 0.00 175.10 174.31 3ghp s GLY 124 N -0.70 1.79 -0.22 4.51 0.00 -0.66 -0.05 107.32 112.00 3ghp s GLY 124 Ca 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.94 3ghp s GLY 124 CO 0.00 -0.45 -0.13 -1.36 0.00 0.00 0.00 173.10 171.17 3ghp s PHE 125 N -0.53 2.80 -0.33 1.90 0.40 -0.44 0.13 117.98 121.91 3ghp s PHE 125 Ca 0.09 -1.87 -0.25 0.00 -0.60 0.00 0.00 56.93 54.30 3ghp s PHE 125 Cb -0.12 -1.80 0.01 0.00 0.51 0.00 0.00 43.02 41.62 3ghp s PHE 125 CO 0.02 -0.81 0.85 0.21 0.70 0.00 0.00 175.22 176.19 3ghp s LYS 126 N 1.27 3.91 -0.29 0.44 2.20 0.25 -1.33 119.74 126.18 3ghp s LYS 126 Ca -0.03 0.59 -0.33 0.00 -0.36 0.00 0.00 55.97 55.84 3ghp s LYS 126 Cb -0.17 -3.76 -0.10 0.00 -1.51 0.00 0.00 37.83 32.29 3ghp s LYS 126 CO -0.08 -0.80 2.17 0.28 -0.36 0.00 0.00 175.35 176.57 3ghp n VAL 127 N 5.72 0.26 0.05 4.02 0.31 -0.31 -1.44 118.33 126.94 3ghp n VAL 127 Ca 0.05 -0.31 -0.20 0.00 -0.01 0.00 0.00 64.34 63.88 3ghp n VAL 127 Cb 0.48 -1.93 -0.14 0.00 -0.91 0.00 0.00 33.84 31.34 3ghp n VAL 127 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ghp h LEU 128 N 12.92 0.52 -7.98 7.52 3.38 -1.61 0.24 115.31 130.29 3ghp h LEU 128 Ca -0.33 -0.91 -0.38 0.00 0.09 0.00 0.00 57.88 56.35 3ghp h LEU 128 Cb 1.29 -0.17 -0.29 0.00 0.09 0.00 0.00 40.66 41.59 3ghp h LEU 128 CO 1.00 1.39 -0.77 -1.10 0.09 0.00 0.00 178.44 179.05 3ghp s GLN 129 N -2.60 0.66 -0.96 1.13 -0.21 -1.19 -4.72 119.66 111.78 3ghp s GLN 129 Ca -0.13 -0.28 -0.21 0.00 0.02 0.00 0.00 55.36 54.77 3ghp s GLN 129 Cb 0.02 -0.64 0.10 0.00 1.00 0.00 0.00 33.01 33.49 3ghp s GLN 129 CO 0.84 0.16 1.25 0.21 -2.12 0.00 0.00 175.29 175.63 3ghp s LYS 130 N -0.12 3.58 -0.14 2.91 2.20 -1.26 -4.89 119.74 122.01 3ghp s LYS 130 Ca 0.02 -1.48 -0.24 0.00 -0.36 0.00 0.00 55.97 53.91 3ghp s LYS 130 Cb -0.04 -5.06 0.06 0.00 -1.51 0.00 0.00 37.83 31.28 3ghp s LYS 130 CO -0.00 -1.94 0.60 0.21 -0.36 0.00 0.00 175.35 173.86 3ghp s LYS 131 N 3.62 0.83 0.05 4.03 2.20 -1.26 -4.89 119.74 124.31 3ghp s LYS 131 Ca 0.38 0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 56.20 3ghp s LYS 131 Cb -0.03 0.40 -0.10 0.00 -1.51 0.00 0.00 37.83 36.59 3ghp s LYS 131 CO -0.09 -0.18 1.95 0.00 -0.36 0.00 0.00 175.35 176.66 3ghp n ALA 132 N 1.93 1.66 -2.36 3.13 0.00 -1.25 -4.52 120.51 119.09 3ghp n ALA 132 Ca -0.17 0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 3ghp n ALA 132 Cb 0.56 -2.66 -0.10 0.00 0.00 0.00 0.00 19.45 17.25 3ghp n ALA 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ghp s THR 133 N 4.13 1.01 0.13 0.00 2.01 -0.78 -4.98 115.64 117.16 3ghp s THR 133 Ca 0.88 -2.02 0.09 0.00 0.31 0.00 0.00 61.69 60.95 3ghp s THR 133 Cb -0.46 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3ghp s THR 133 CO 0.42 -0.20 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.03 3ghp s THR 134 N -3.43 1.97 -0.09 -0.82 2.01 -1.26 0.19 115.64 114.19 3ghp s THR 134 Ca 0.32 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 60.60 3ghp s THR 134 Cb 0.07 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 3ghp s THR 134 CO 0.11 -0.07 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.18 3ghp s VAL 135 N -1.34 3.38 0.02 3.82 1.01 -1.26 -4.45 120.40 121.58 3ghp s VAL 135 Ca 0.12 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3ghp s VAL 135 Cb -0.09 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3ghp s VAL 135 CO 0.06 0.56 0.02 0.68 0.00 0.00 0.00 175.10 176.42 3ghp s VAL 136 N -0.32 0.10 0.05 2.92 -7.23 -0.84 -4.39 120.40 110.68 3ghp s VAL 136 Ca 0.04 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 3ghp s VAL 136 Cb -0.13 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.46 3ghp s VAL 136 CO 0.02 -0.47 1.00 -0.36 -0.31 0.00 0.00 175.10 174.98 3ghp s PHE 137 N -1.45 3.68 0.04 2.82 0.40 -1.26 -0.43 117.98 121.77 3ghp s PHE 137 Ca -0.16 1.69 -0.04 0.00 -0.60 0.00 0.00 56.93 57.83 3ghp s PHE 137 Cb -0.09 -3.13 -0.02 0.00 0.51 0.00 0.00 43.02 40.29 3ghp s PHE 137 CO -0.00 -0.08 0.06 -1.83 0.70 0.00 0.00 175.22 174.07 3ghp s GLU 138 N 0.65 0.56 0.81 0.44 -1.05 -0.96 -4.57 118.70 114.58 3ghp s GLU 138 Ca 0.51 -0.81 -0.14 0.00 -0.15 0.00 0.00 54.97 54.39 3ghp s GLU 138 Cb -0.23 0.21 0.06 0.00 -0.44 0.00 0.00 34.13 33.74 3ghp s GLU 138 CO 0.29 -0.13 1.03 -0.25 0.95 0.00 0.00 175.26 177.15 3ghp n ASP 139 N 0.77 0.41 -4.18 0.83 9.92 -1.26 -3.58 116.55 119.46 3ghp n ASP 139 Ca -0.19 0.56 -0.18 0.00 -0.53 0.00 0.00 54.79 54.45 3ghp n ASP 139 Cb 0.58 -1.44 -0.12 0.00 -0.64 0.00 0.00 41.12 39.51 3ghp n ASP 139 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3ghp s SER 140 N -2.03 1.71 0.57 -2.24 0.15 -1.26 -4.82 113.70 105.78 3ghp s SER 140 Ca 0.71 -0.66 0.31 0.00 0.70 0.00 0.00 55.95 57.00 3ghp s SER 140 Cb -0.29 -0.05 1.44 0.00 -1.71 0.00 0.00 66.02 65.42 3ghp s SER 140 CO 0.53 -0.10 1.82 1.05 1.20 0.00 0.00 173.24 177.74 3ghp h GLU 141 N 4.10 0.00 -0.09 5.44 4.11 -1.99 0.55 114.58 126.71 3ghp h GLU 141 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 3ghp h GLU 141 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ghp h GLU 141 CO 0.43 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.76 3ghp n THR 142 N -3.90 0.10 -3.18 -1.06 -2.24 -1.26 -3.97 114.28 98.78 3ghp n THR 142 Ca 0.16 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 3ghp n THR 142 Cb 0.94 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 3ghp n THR 142 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3ghp n MET 143 N 0.00 1.19 -0.29 -0.78 2.81 0.18 -4.96 117.12 115.27 3ghp n MET 143 Ca 0.17 -3.54 0.11 0.00 -1.81 0.00 0.00 57.70 52.63 3ghp n MET 143 Cb 0.28 -1.61 0.34 0.00 -0.71 0.00 0.00 33.22 31.51 3ghp n MET 143 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3ghp h PRO 144 N 3.43 0.75 -0.22 0.03 0.11 -1.69 0.13 132.00 134.55 3ghp h PRO 144 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3ghp h PRO 144 Cb 0.87 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3ghp h PRO 144 CO 0.54 0.49 0.00 0.09 -0.21 0.00 0.00 178.00 178.91 3ghp n ASN 145 N -4.58 1.56 -4.77 -2.05 3.02 -1.26 -4.96 115.26 102.23 3ghp n ASN 145 Ca 0.18 -1.81 -0.39 0.00 -0.03 0.00 0.00 54.58 52.53 3ghp n ASN 145 Cb 0.44 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 3ghp n ASN 145 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ghp s GLY 146 N -1.33 2.90 -0.47 7.41 0.00 0.46 -4.94 107.32 111.35 3ghp s GLY 146 Ca 0.27 1.12 -0.18 0.00 0.00 0.00 0.00 44.72 45.93 3ghp s GLY 146 CO 0.21 1.67 0.53 -0.42 0.00 0.00 0.00 173.10 175.09 3ghp s ILE 147 N -1.32 5.00 -0.52 0.90 1.01 -0.06 -4.70 121.20 121.50 3ghp s ILE 147 Ca 0.57 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.54 3ghp s ILE 147 Cb -0.35 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 37.96 3ghp s ILE 147 CO 0.44 -0.64 0.52 0.41 0.00 0.00 0.00 174.94 175.67 3ghp n THR 148 N 5.50 -2.88 -0.37 2.92 -1.04 -1.26 -0.71 114.28 116.44 3ghp n THR 148 Ca -0.08 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3ghp n THR 148 Cb 0.46 -2.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.37 3ghp n THR 148 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ghp n GLY 149 N -0.79 1.17 3.04 3.41 0.00 -1.23 -4.35 105.19 106.43 3ghp n GLY 149 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 3ghp n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghp s THR 150 N -2.41 1.31 -0.04 2.61 -4.23 0.11 -1.79 115.64 111.19 3ghp s THR 150 Ca 0.00 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 60.00 3ghp s THR 150 Cb 0.00 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 3ghp s THR 150 CO 0.00 0.40 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.40 3ghp s THR 151 N 0.79 2.69 0.02 3.99 2.01 -0.41 -0.89 115.64 123.86 3ghp s THR 151 Ca -0.12 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.04 3ghp s THR 151 Cb -0.16 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 3ghp s THR 151 CO 0.02 0.58 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.72 3ghp s LEU 152 N -0.63 2.19 0.35 4.42 1.43 -1.26 -1.48 118.68 123.70 3ghp s LEU 152 Ca 0.09 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 3ghp s LEU 152 Cb -0.11 -0.07 -0.07 0.00 0.03 0.00 0.00 46.19 45.97 3ghp s LEU 152 CO 0.00 -0.18 0.01 -0.36 0.23 0.00 0.00 176.35 176.06 3ghp s PHE 153 N -1.08 2.20 0.38 0.29 0.40 -0.95 0.68 117.98 119.89 3ghp s PHE 153 Ca -0.09 -0.79 0.04 0.00 -0.60 0.00 0.00 56.93 55.50 3ghp s PHE 153 Cb -0.08 -1.45 -0.06 0.00 0.51 0.00 0.00 43.02 41.94 3ghp s PHE 153 CO -0.00 0.25 0.05 0.54 0.70 0.00 0.00 175.22 176.75 3ghp s ASN 154 N -3.57 3.00 0.00 1.36 2.20 -0.98 -2.50 114.94 114.44 3ghp s ASN 154 Ca 0.35 -1.44 0.00 0.00 -0.94 0.00 0.00 52.86 50.83 3ghp s ASN 154 Cb 0.08 -0.02 0.03 0.00 -2.00 0.00 0.00 41.25 39.34 3ghp s ASN 154 CO 0.16 -0.64 0.22 -2.67 -2.94 0.00 0.00 177.10 171.24 3ghp n TRP 155 N -0.85 0.00 0.04 1.54 2.14 0.55 0.33 117.44 121.18 3ghp n TRP 155 Ca -0.05 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.61 3ghp n TRP 155 Cb 0.67 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.08 3ghp n TRP 155 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3ghp n TYR 156 N -0.54 0.55 -0.27 -2.67 4.02 -1.26 -4.72 117.16 112.26 3ghp n TYR 156 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 3ghp n TYR 156 Cb 0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 38.52 3ghp n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ghp n GLY 157 N 1.27 1.26 3.47 2.72 0.00 0.15 -5.09 105.19 108.96 3ghp n GLY 157 Ca -0.04 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3ghp n GLY 157 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ghp s ASN 158 N -2.19 4.78 0.18 1.61 0.01 -1.25 -4.90 114.94 113.18 3ghp s ASN 158 Ca 0.00 -0.16 -0.33 0.00 -0.71 0.00 0.00 52.86 51.66 3ghp s ASN 158 Cb 0.00 -1.79 -0.13 0.00 0.41 0.00 0.00 41.25 39.74 3ghp s ASN 158 CO 0.00 0.13 1.68 0.54 -1.51 0.00 0.00 177.10 177.94 3ghp n ARG 159 N 3.80 2.54 -2.68 -0.60 1.74 -1.26 -2.32 116.66 117.88 3ghp n ARG 159 Ca -0.17 0.92 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 3ghp n ARG 159 Cb 0.52 -2.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.19 3ghp n ARG 159 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ghp s ILE 160 N 1.22 4.04 -1.71 0.55 1.01 0.21 -4.86 121.20 121.67 3ghp s ILE 160 Ca 0.77 0.32 0.17 0.00 0.00 0.00 0.00 60.65 61.91 3ghp s ILE 160 Cb -0.57 -4.76 0.35 0.00 0.01 0.00 0.00 42.46 37.49 3ghp s ILE 160 CO 0.35 -1.52 1.27 0.00 0.00 0.00 0.00 174.94 175.03 3ghp n GLN 161 N 8.46 2.29 -3.78 2.79 6.02 -1.26 -4.52 117.38 127.37 3ghp n GLN 161 Ca 0.02 -2.05 -0.09 0.00 -0.01 0.00 0.00 57.00 54.87 3ghp n GLN 161 Cb 0.48 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 30.29 3ghp n GLN 161 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3ghp s SER 162 N -1.16 0.00 0.00 1.08 0.01 -1.26 -4.98 113.70 107.39 3ghp s SER 162 Ca 0.30 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.02 3ghp s SER 162 Cb 0.17 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.78 3ghp s SER 162 CO 0.23 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.73 3ghp n GLY 163 N -0.11 0.69 3.14 3.44 0.00 -1.26 -5.06 105.19 106.03 3ghp n GLY 163 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 3ghp n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ghp s TYR 164 N -2.17 0.83 0.38 1.61 -0.85 -1.26 -4.36 117.35 111.52 3ghp s TYR 164 Ca 0.00 -0.81 0.04 0.00 -0.52 0.00 0.00 57.07 55.78 3ghp s TYR 164 Cb 0.00 -0.48 -0.05 0.00 0.38 0.00 0.00 41.96 41.80 3ghp s TYR 164 CO 0.00 -0.14 0.06 -0.59 -1.52 0.00 0.00 175.55 173.36 3ghp s PHE 165 N -3.03 2.01 -0.22 -3.49 -0.12 -1.03 -4.92 117.98 107.17 3ghp s PHE 165 Ca 0.06 -0.98 -0.09 0.00 -0.05 0.00 0.00 56.93 55.87 3ghp s PHE 165 Cb 0.01 -1.37 -0.04 0.00 -0.63 0.00 0.00 43.02 40.99 3ghp s PHE 165 CO -0.03 0.04 0.11 0.08 -0.05 0.00 0.00 175.22 175.36 3ghp s VAL 166 N -3.14 4.99 -0.32 -2.49 1.01 -1.26 -2.08 120.40 117.11 3ghp s VAL 166 Ca 0.30 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3ghp s VAL 166 Cb 0.07 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.20 3ghp s VAL 166 CO 0.14 0.39 0.04 -0.63 0.00 0.00 0.00 175.10 175.05 3ghp s ILE 167 N 0.83 3.24 0.36 2.22 1.01 0.30 -4.98 121.20 124.18 3ghp s ILE 167 Ca 0.06 -1.34 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 3ghp s ILE 167 Cb -0.13 -2.87 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 3ghp s ILE 167 CO 0.02 -0.16 1.39 -1.10 0.00 0.00 0.00 174.94 175.10 3ghp s GLN 168 N 1.29 4.21 0.53 2.79 -1.52 -1.26 -3.71 119.66 121.99 3ghp s GLN 168 Ca -0.04 2.38 0.20 0.00 -1.95 0.00 0.00 55.36 55.95 3ghp s GLN 168 Cb -0.20 -3.00 1.39 0.00 -0.22 0.00 0.00 33.01 30.99 3ghp s GLN 168 CO -0.00 -0.38 2.16 -1.00 -0.25 0.00 0.00 175.29 175.82 3ghp h PRO 169 N 3.14 0.00 0.00 2.91 0.13 -1.77 -3.47 132.00 132.95 3ghp h PRO 169 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3ghp h PRO 169 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3ghp h PRO 169 CO 0.65 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.85 3ghp n GLY 170 N -1.40 0.05 3.12 1.56 0.00 -1.26 -4.87 105.19 102.39 3ghp n GLY 170 Ca -0.03 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 3ghp n GLY 170 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ghp s GLU 171 N 0.00 0.70 -0.08 1.61 2.12 -1.26 -4.46 118.70 117.33 3ghp s GLU 171 Ca 0.00 -1.21 0.04 0.00 0.36 0.00 0.00 54.97 54.15 3ghp s GLU 171 Cb 0.00 -0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.32 3ghp s GLU 171 CO 0.00 -0.05 -0.19 0.42 -0.54 0.00 0.00 175.26 174.90 3ghp s ILE 172 N -3.43 2.58 0.00 -3.70 1.01 0.13 -4.91 121.20 112.87 3ghp s ILE 172 Ca 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3ghp s ILE 172 Cb 0.04 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.51 3ghp s ILE 172 CO -0.06 0.56 0.00 0.59 0.00 0.00 0.00 174.94 176.03 3ghp n ASN 173 N 3.01 -1.65 0.00 3.58 3.02 -0.58 -1.86 115.26 120.78 3ghp n ASN 173 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3ghp n ASN 173 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3ghp n ASN 173 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ghp n SER 174 N -1.83 0.00 -2.73 6.41 7.64 -1.26 -4.72 113.62 117.13 3ghp n SER 174 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3ghp n SER 174 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3ghp n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ghp n ALA 175 N 0.00 3.31 -1.00 -0.43 0.00 -1.26 -4.74 120.51 116.39 3ghp n ALA 175 Ca 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.19 3ghp n ALA 175 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3ghp n ALA 175 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ghp n PRO 176 N -0.03 0.00 0.00 0.00 -0.02 -1.26 -4.63 135.00 129.06 3ghp n PRO 176 Ca 0.13 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3ghp n PRO 176 Cb 0.78 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.57 3ghp n PRO 176 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3ghp n ILE 177 N -0.38 0.00 -2.70 4.25 -0.00 -1.26 -4.86 119.36 114.41 3ghp n ILE 177 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 62.75 62.53 3ghp n ILE 177 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 39.64 39.73 3ghp n ILE 177 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3ghp s ALA 178 N -0.81 3.97 -0.42 -1.39 0.00 -1.26 -5.10 121.76 116.74 3ghp s ALA 178 Ca 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.22 3ghp s ALA 178 Cb 0.00 -1.88 0.17 0.00 0.00 0.00 0.00 23.12 21.41 3ghp s ALA 178 CO 0.00 -1.24 0.48 0.99 0.00 0.00 0.00 175.76 175.99 3ghp s THR 179 N -2.99 -0.43 0.00 0.00 2.01 -1.26 -5.13 115.64 107.84 3ghp s THR 179 Ca 0.64 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.43 3ghp s THR 179 Cb -0.06 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.90 3ghp s THR 179 CO 0.42 -0.52 0.00 0.00 -0.69 0.00 0.00 174.62 173.84 3ghp n ALA 180 N 3.67 0.00 -2.92 7.40 0.00 -1.26 -5.10 120.51 122.30 3ghp n ALA 180 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 3ghp n ALA 180 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 3ghp n ALA 180 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ghp n THR 181 N 0.00 -0.29 -3.74 0.00 -1.04 -1.26 -5.05 114.28 102.90 3ghp n THR 181 Ca 0.00 -2.23 -0.36 0.00 -2.04 0.00 0.00 64.05 59.42 3ghp n THR 181 Cb 0.00 0.25 -0.10 0.00 -1.82 0.00 0.00 70.33 68.66 3ghp n THR 181 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3ghp s PRO 182 N 0.19 2.43 -0.57 -2.82 0.05 -1.26 -5.05 135.00 127.97 3ghp s PRO 182 Ca 0.33 -2.41 0.05 0.00 0.05 0.00 0.00 61.00 59.02 3ghp s PRO 182 Cb 0.16 -3.68 0.19 0.00 0.05 0.00 0.00 34.50 31.22 3ghp s PRO 182 CO -0.18 -1.15 0.49 0.25 0.05 0.00 0.00 177.00 176.46 3ghp n THR 183 N 3.67 0.60 -4.19 1.26 -2.24 -1.26 -5.07 114.28 107.05 3ghp n THR 183 Ca 0.06 -4.38 -0.12 0.00 -2.27 0.00 0.00 64.05 57.34 3ghp n THR 183 Cb 0.38 -1.98 -0.10 0.00 -2.10 0.00 0.00 70.33 66.53 3ghp n THR 183 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ghp s THR 184 N -1.12 0.00 -0.73 4.28 -4.23 -1.26 -5.12 115.64 107.46 3ghp s THR 184 Ca 0.31 -1.97 0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3ghp s THR 184 Cb 0.04 -2.47 0.18 0.00 1.34 0.00 0.00 72.50 71.58 3ghp s THR 184 CO -0.15 -0.01 0.53 -0.75 -0.54 0.00 0.00 174.62 173.70 3ghp s LYS 185 N -4.15 2.57 -0.39 3.99 2.36 -1.26 -4.94 119.74 117.93 3ghp s LYS 185 Ca 0.38 -3.36 0.07 0.00 -2.55 0.00 0.00 55.97 50.50 3ghp s LYS 185 Cb 0.07 -3.49 0.66 0.00 -1.05 0.00 0.00 37.83 34.01 3ghp s LYS 185 CO 0.12 -1.29 1.81 -0.35 1.55 0.00 0.00 175.35 177.19 3ghp n PRO 186 N 1.99 2.58 -1.81 4.03 -0.05 -1.26 -5.05 135.00 135.43 3ghp n PRO 186 Ca 0.20 -3.06 -0.36 0.00 -0.05 0.00 0.00 63.50 60.23 3ghp n PRO 186 Cb 0.35 -2.12 0.06 0.00 -0.05 0.00 0.00 33.50 31.74 3ghp n PRO 186 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 175.50 176.44 3ghp s THR 187 N -3.20 2.27 0.00 0.52 2.01 -1.26 -5.04 115.64 110.94 3ghp s THR 187 Ca 0.54 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.71 3ghp s THR 187 Cb 0.45 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.93 3ghp s THR 187 CO 0.10 -0.04 0.00 0.00 -0.69 0.00 0.00 174.62 173.99 3ghp n ALA 188 N -1.86 0.00 0.00 7.40 0.00 -1.26 -5.06 120.51 119.73 3ghp n ALA 188 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3ghp n ALA 188 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3ghp n ALA 188 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3ghp n PHE 189 N 0.00 -0.12 0.00 0.00 -1.74 -1.26 -5.10 117.46 109.24 3ghp n PHE 189 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3ghp n PHE 189 Cb 0.00 0.14 0.00 0.00 1.52 0.00 0.00 39.48 41.14 3ghp n PHE 189 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3ghp n ALA 190 N -1.77 0.00 0.01 1.98 0.00 -1.26 -5.14 120.51 114.33 3ghp n ALA 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ghp n ALA 190 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ghp n ALA 190 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ghp n SER 191 N 0.00 -0.12 0.00 0.00 3.41 -1.26 -5.31 113.62 110.34 3ghp n SER 191 Ca 0.00 0.14 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 3ghp n SER 191 Cb 0.00 0.27 0.64 0.00 -0.26 0.00 0.00 64.21 64.86 3ghp n SER 191 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29