#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3g s ILE 20 N 0.00 4.82 -0.16 1.09 1.01 0.18 -4.91 121.20 123.23 2f3g s ILE 20 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.58 2f3g s ILE 20 Cb 0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 2f3g s ILE 20 CO 0.00 0.50 -0.03 -1.61 0.00 0.00 0.00 174.94 173.80 2f3g s GLU 21 N 0.06 3.68 -0.28 2.79 2.02 -1.26 0.51 118.70 126.22 2f3g s GLU 21 Ca 0.06 -0.51 -0.12 0.00 0.02 0.00 0.00 54.97 54.42 2f3g s GLU 21 Cb -0.12 -2.95 -0.05 0.00 0.10 0.00 0.00 34.13 31.12 2f3g s GLU 21 CO 0.01 0.22 0.23 0.42 0.02 0.00 0.00 175.26 176.15 2f3g s ILE 22 N 0.42 5.28 0.18 -1.63 -1.09 0.30 -4.93 121.20 119.73 2f3g s ILE 22 Ca -0.03 0.23 -0.13 0.00 -2.23 0.00 0.00 60.65 58.49 2f3g s ILE 22 Cb -0.14 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 37.10 2f3g s ILE 22 CO 0.03 0.22 0.55 -0.63 -1.23 0.00 0.00 174.94 173.88 2f3g s ILE 23 N 1.82 4.88 -0.23 2.92 -1.09 -0.78 -0.70 121.20 128.02 2f3g s ILE 23 Ca 0.08 0.70 -0.39 0.00 -2.23 0.00 0.00 60.65 58.81 2f3g s ILE 23 Cb -0.16 -3.69 -0.16 0.00 -1.58 0.00 0.00 42.46 36.88 2f3g s ILE 23 CO 0.11 0.12 1.71 0.00 -1.23 0.00 0.00 174.94 175.65 2f3g n ALA 24 N 0.44 -0.21 0.35 9.38 0.00 0.56 -4.36 120.51 126.67 2f3g n ALA 24 Ca -0.03 0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.93 2f3g n ALA 24 Cb 0.52 -2.23 0.23 0.00 0.00 0.00 0.00 19.45 17.97 2f3g n ALA 24 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2f3g h PRO 25 N 7.03 0.00 -3.32 0.00 0.13 -1.90 0.15 132.00 134.09 2f3g h PRO 25 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2f3g h PRO 25 Cb 1.32 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 2f3g h PRO 25 CO 0.94 0.00 -0.02 -0.48 -0.23 0.00 0.00 178.00 178.21 2f3g s LEU 26 N -5.54 0.21 0.37 1.56 0.05 -1.26 -0.39 118.68 113.67 2f3g s LEU 26 Ca 0.07 -0.27 -0.20 0.00 0.05 0.00 0.00 54.13 53.78 2f3g s LEU 26 Cb 0.08 1.99 -0.10 0.00 -2.05 0.00 0.00 46.19 46.11 2f3g s LEU 26 CO 0.66 -0.89 0.87 -0.44 -0.55 0.00 0.00 176.35 176.01 2f3g s SER 27 N -2.80 6.97 0.00 1.48 0.01 -1.26 -4.15 113.70 113.95 2f3g s SER 27 Ca 0.03 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.87 2f3g s SER 27 Cb 0.01 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2f3g s SER 27 CO -0.12 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2f3g n GLY 28 N -0.27 0.34 3.27 3.44 0.00 -0.90 -1.63 105.19 109.44 2f3g n GLY 28 Ca 0.05 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 2f3g n GLY 28 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2f3g s GLU 29 N -2.00 2.94 0.22 1.61 -1.05 0.69 -1.52 118.70 119.58 2f3g s GLU 29 Ca 0.00 -0.85 -0.32 0.00 -0.15 0.00 0.00 54.97 53.65 2f3g s GLU 29 Cb 0.00 -2.32 -0.13 0.00 -0.44 0.00 0.00 34.13 31.24 2f3g s GLU 29 CO 0.00 0.27 1.60 -0.89 0.95 0.00 0.00 175.26 177.19 2f3g n ILE 30 N 3.30 0.36 -4.29 1.83 5.41 -0.16 -0.91 119.36 124.89 2f3g n ILE 30 Ca -0.18 -0.09 -0.22 0.00 1.00 0.00 0.00 62.75 63.25 2f3g n ILE 30 Cb 0.53 -1.77 -0.13 0.00 -0.71 0.00 0.00 39.64 37.56 2f3g n ILE 30 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2f3g s VAL 31 N 0.65 1.50 0.04 1.39 1.01 0.15 -4.59 120.40 120.55 2f3g s VAL 31 Ca 0.73 -1.41 -0.32 0.00 0.00 0.00 0.00 61.98 60.98 2f3g s VAL 31 Cb -0.58 -1.37 -0.11 0.00 0.00 0.00 0.00 36.38 34.32 2f3g s VAL 31 CO 0.40 -0.08 1.85 0.59 0.00 0.00 0.00 175.10 177.86 2f3g n ASN 32 N 1.27 3.78 -0.34 3.32 5.03 -1.26 -1.85 115.26 125.20 2f3g n ASN 32 Ca -0.20 0.97 0.04 0.00 0.87 0.00 0.00 54.58 56.27 2f3g n ASN 32 Cb 0.54 -1.47 0.22 0.00 -1.02 0.00 0.00 39.78 38.04 2f3g n ASN 32 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 2f3g h ILE 33 N 5.00 1.05 0.00 2.41 2.10 -1.90 0.87 117.51 127.03 2f3g h ILE 33 Ca -0.48 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.09 2f3g h ILE 33 Cb 1.25 -0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 2f3g h ILE 33 CO 0.94 0.20 0.00 -1.84 -1.08 0.00 0.00 178.15 176.37 2f3g n GLU 34 N -4.51 0.06 -0.10 2.19 0.00 -1.26 -1.29 120.64 115.72 2f3g n GLU 34 Ca 0.15 0.49 0.11 0.00 0.00 0.00 0.00 57.16 57.92 2f3g n GLU 34 Cb 0.23 -1.67 0.31 0.00 0.00 0.00 0.00 31.44 30.30 2f3g n GLU 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2f3g n ASP 35 N -1.80 2.37 -4.75 -1.84 8.00 0.30 -4.82 116.55 114.01 2f3g n ASP 35 Ca 0.00 -1.82 -0.40 0.00 0.71 0.00 0.00 54.79 53.28 2f3g n ASP 35 Cb 0.06 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 2f3g n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2f3g s VAL 36 N -1.73 3.93 -0.96 2.53 1.01 -0.41 -4.92 120.40 119.85 2f3g s VAL 36 Ca 0.34 1.83 -0.08 0.00 0.00 0.00 0.00 61.98 64.08 2f3g s VAL 36 Cb 0.20 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 2f3g s VAL 36 CO 0.29 0.39 2.90 -0.81 0.00 0.00 0.00 175.10 177.87 2f3g n PRO 37 N 1.76 2.76 -3.15 2.72 -0.04 -1.26 -4.40 135.00 133.39 2f3g n PRO 37 Ca -0.00 -1.63 0.04 0.00 -0.04 0.00 0.00 63.50 61.87 2f3g n PRO 37 Cb 0.47 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 2f3g n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2f3g s ASP 38 N 2.39 -1.41 0.37 3.54 -1.08 -1.26 -5.00 116.67 114.23 2f3g s ASP 38 Ca 0.61 0.71 0.16 0.00 -0.52 0.00 0.00 52.55 53.51 2f3g s ASP 38 Cb 0.20 2.11 1.05 0.00 -1.46 0.00 0.00 42.92 44.82 2f3g s ASP 38 CO -0.04 -0.26 1.75 -0.37 0.52 0.00 0.00 175.17 176.77 2f3g h VAL 39 N 5.97 0.51 -0.87 1.11 -1.51 -1.95 1.79 116.25 121.29 2f3g h VAL 39 Ca -0.18 -0.15 0.10 0.00 -1.23 0.00 0.00 66.70 65.24 2f3g h VAL 39 Cb 1.17 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 30.29 2f3g h VAL 39 CO 0.22 0.08 0.56 1.62 -1.23 0.00 0.00 177.57 178.83 2f3g h VAL 40 N 0.44 0.94 0.00 7.19 3.04 -1.95 0.47 116.25 126.38 2f3g h VAL 40 Ca 0.62 -0.28 -0.13 0.00 -1.01 0.00 0.00 66.70 65.90 2f3g h VAL 40 Cb 1.47 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 2f3g h VAL 40 CO -0.36 0.15 -0.89 -0.26 -1.01 0.00 0.00 177.57 175.20 2f3g h PHE 41 N 0.82 0.00 -0.61 3.17 0.04 -0.83 -2.57 116.94 116.95 2f3g h PHE 41 Ca 0.41 0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.36 2f3g h PHE 41 Cb 0.47 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 2f3g h PHE 41 CO -0.00 0.86 0.44 0.00 -0.60 0.00 0.00 178.31 179.01 2f3g h ALA 42 N -0.69 2.58 -0.55 2.45 0.00 0.26 0.85 119.26 124.17 2f3g h ALA 42 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2f3g h ALA 42 Cb 0.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2f3g h ALA 42 CO -0.12 -0.75 0.00 0.39 0.00 0.00 0.00 179.25 178.77 2f3g n GLU 43 N -4.35 4.18 -3.83 0.00 -0.58 0.16 -4.41 120.64 111.81 2f3g n GLU 43 Ca 0.12 -3.00 -0.27 0.00 -0.42 0.00 0.00 57.16 53.59 2f3g n GLU 43 Cb 0.69 -2.05 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 2f3g n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2f3g n LYS 44 N 0.64 -5.43 0.04 3.49 5.02 0.29 -4.86 118.16 117.36 2f3g n LYS 44 Ca 0.26 0.61 -0.15 0.00 -2.02 0.00 0.00 58.31 57.02 2f3g n LYS 44 Cb 1.03 -5.40 -0.04 0.00 -0.02 0.00 0.00 35.03 30.60 2f3g n LYS 44 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2f3g h ILE 45 N -2.05 1.34 0.00 -0.18 1.08 -1.70 -3.30 117.51 112.70 2f3g h ILE 45 Ca -0.59 -2.22 -0.17 0.00 -0.39 0.00 0.00 64.86 61.49 2f3g h ILE 45 Cb 1.37 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 37.32 2f3g h ILE 45 CO 0.63 0.68 -1.75 0.55 -0.69 0.00 0.00 178.15 177.57 2f3g n VAL 46 N -3.83 0.93 -3.11 1.67 3.14 -1.26 -5.06 118.33 110.81 2f3g n VAL 46 Ca -0.07 -0.68 0.00 0.00 -2.96 0.00 0.00 64.34 60.63 2f3g n VAL 46 Cb 0.79 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 33.09 2f3g n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2f3g n GLY 47 N 1.43 -1.59 3.55 7.55 0.00 -1.24 -4.32 105.19 110.57 2f3g n GLY 47 Ca -0.13 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 2f3g n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3g s ASP 48 N -3.26 4.06 0.00 1.61 -1.08 -1.22 -4.25 116.67 112.53 2f3g s ASP 48 Ca 0.00 -0.79 0.00 0.00 -0.52 0.00 0.00 52.55 51.24 2f3g s ASP 48 Cb 0.00 -0.58 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 2f3g s ASP 48 CO 0.00 0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.34 2f3g n GLY 49 N -0.52 -0.85 3.24 2.66 0.00 -1.26 -0.71 105.19 107.75 2f3g n GLY 49 Ca -0.07 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2f3g n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f3g s ILE 50 N -4.00 0.01 0.32 -0.61 -4.36 0.21 -4.55 121.20 108.22 2f3g s ILE 50 Ca 0.00 -1.90 0.10 0.00 -0.26 0.00 0.00 60.65 58.60 2f3g s ILE 50 Cb 0.00 -2.39 -0.06 0.00 1.25 0.00 0.00 42.46 41.27 2f3g s ILE 50 CO 0.00 -0.07 -0.12 0.00 0.24 0.00 0.00 174.94 174.99 2f3g s ALA 51 N -4.12 2.91 -0.05 2.27 0.00 -0.77 -0.03 121.76 121.96 2f3g s ALA 51 Ca 0.34 -1.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.31 2f3g s ALA 51 Cb 0.06 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.03 2f3g s ALA 51 CO 0.10 0.16 -0.02 0.42 0.00 0.00 0.00 175.76 176.42 2f3g s ILE 52 N -2.56 0.39 -0.50 0.00 1.01 -0.14 0.31 121.20 119.72 2f3g s ILE 52 Ca 0.32 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 2f3g s ILE 52 Cb -0.01 -0.49 0.03 0.00 0.01 0.00 0.00 42.46 42.01 2f3g s ILE 52 CO 0.16 0.22 0.93 -0.75 0.00 0.00 0.00 174.94 175.50 2f3g s LYS 53 N 1.39 3.43 0.61 2.79 2.20 -0.09 -0.91 119.74 129.16 2f3g s LYS 53 Ca -0.04 -0.06 -0.16 0.00 -0.36 0.00 0.00 55.97 55.35 2f3g s LYS 53 Cb -0.13 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.17 2f3g s LYS 53 CO -0.03 -1.35 1.09 -1.25 -0.36 0.00 0.00 175.35 173.46 2f3g s PRO 54 N 3.84 3.11 0.00 4.03 0.04 -1.26 -0.23 135.00 144.54 2f3g s PRO 54 Ca 0.34 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2f3g s PRO 54 Cb -0.11 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2f3g s PRO 54 CO 0.23 -1.00 0.01 0.25 0.04 0.00 0.00 177.00 176.53 2f3g n THR 55 N -2.01 0.00 -0.65 1.26 -2.24 -0.65 -4.91 114.28 105.08 2f3g n THR 55 Ca 0.10 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2f3g n THR 55 Cb 0.52 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2f3g n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f3g n GLY 56 N 0.15 1.65 0.00 3.38 0.00 -1.25 -5.02 105.19 104.11 2f3g n GLY 56 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2f3g n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2f3g n ASN 57 N 0.00 0.26 -3.79 1.61 2.04 -1.26 -4.66 115.26 109.46 2f3g n ASN 57 Ca 0.00 -0.82 -0.09 0.00 -0.44 0.00 0.00 54.58 53.23 2f3g n ASN 57 Cb 0.00 0.07 -0.03 0.00 -2.53 0.00 0.00 39.78 37.29 2f3g n ASN 57 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 2f3g s LYS 58 N -0.07 1.58 -0.12 -3.83 0.00 -1.26 0.19 119.74 116.22 2f3g s LYS 58 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 55.97 55.07 2f3g s LYS 58 Cb 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 37.83 38.39 2f3g s LYS 58 CO 0.00 -0.70 -0.21 -1.64 0.00 0.00 0.00 175.35 172.80 2f3g s MET 59 N -3.90 3.11 0.41 1.78 -1.94 -0.42 -4.48 119.30 113.86 2f3g s MET 59 Ca 0.11 -0.83 0.07 0.00 -1.71 0.00 0.00 55.69 53.33 2f3g s MET 59 Cb -0.03 -2.41 -0.08 0.00 2.01 0.00 0.00 34.83 34.32 2f3g s MET 59 CO 0.02 0.13 0.02 0.14 -0.01 0.00 0.00 175.02 175.32 2f3g s VAL 60 N 0.49 2.03 0.05 -6.03 -7.23 0.47 -0.12 120.40 110.06 2f3g s VAL 60 Ca -0.14 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 2f3g s VAL 60 Cb -0.17 -3.00 -0.07 0.00 0.56 0.00 0.00 36.38 33.70 2f3g s VAL 60 CO 0.05 -0.00 1.57 0.00 -0.31 0.00 0.00 175.10 176.41 2f3g s ALA 61 N -2.70 3.65 -1.09 1.32 0.00 0.34 -4.59 121.76 118.70 2f3g s ALA 61 Ca 0.36 1.11 0.27 0.00 0.00 0.00 0.00 51.96 53.69 2f3g s ALA 61 Cb 0.09 -3.66 0.87 0.00 0.00 0.00 0.00 23.12 20.42 2f3g s ALA 61 CO 0.18 -1.03 1.66 -0.35 0.00 0.00 0.00 175.76 176.23 2f3g n PRO 62 N 5.46 0.10 -4.12 0.00 -0.04 -1.26 -1.32 135.00 133.82 2f3g n PRO 62 Ca 0.15 -0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 2f3g n PRO 62 Cb 0.41 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 2f3g n PRO 62 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2f3g s VAL 63 N -2.93 0.07 -0.05 0.52 -7.23 -1.26 -1.86 120.40 107.66 2f3g s VAL 63 Ca 0.14 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.29 2f3g s VAL 63 Cb 0.18 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2f3g s VAL 63 CO 0.61 -0.32 0.63 -1.81 -0.31 0.00 0.00 175.10 173.89 2f3g s ASP 64 N -3.05 6.94 0.00 4.85 1.01 -1.26 -3.68 116.67 121.47 2f3g s ASP 64 Ca 0.26 1.12 0.00 0.00 0.71 0.00 0.00 52.55 54.64 2f3g s ASP 64 Cb 0.06 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2f3g s ASP 64 CO 0.04 -0.02 0.00 0.61 0.21 0.00 0.00 175.17 176.01 2f3g n GLY 65 N 2.90 -0.69 3.25 0.21 0.00 -0.89 -1.63 105.19 108.34 2f3g n GLY 65 Ca -0.04 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 2f3g n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3g s THR 66 N -4.00 1.86 0.32 2.61 2.01 -0.55 -0.87 115.64 117.02 2f3g s THR 66 Ca 0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 2f3g s THR 66 Cb 0.00 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.84 2f3g s THR 66 CO 0.00 0.52 1.30 -0.63 -0.69 0.00 0.00 174.62 175.12 2f3g s ILE 67 N -0.31 2.77 0.00 1.82 -1.09 -0.48 -1.26 121.20 122.64 2f3g s ILE 67 Ca 0.02 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 2f3g s ILE 67 Cb -0.11 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 2f3g s ILE 67 CO 0.01 0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 2f3g n GLY 68 N 0.88 0.29 3.39 6.18 0.00 0.16 -3.80 105.19 112.29 2f3g n GLY 68 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2f3g n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3g s LYS 69 N 0.00 1.40 -0.07 1.61 -2.85 -1.24 -4.37 119.74 114.22 2f3g s LYS 69 Ca 0.00 -1.38 0.04 0.00 -1.00 0.00 0.00 55.97 53.63 2f3g s LYS 69 Cb 0.00 -1.83 0.00 0.00 -2.06 0.00 0.00 37.83 33.94 2f3g s LYS 69 CO 0.00 0.42 -0.20 0.42 0.10 0.00 0.00 175.35 176.09 2f3g s ILE 70 N -1.25 1.68 0.62 3.79 1.01 -1.26 -0.90 121.20 124.89 2f3g s ILE 70 Ca 0.15 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.78 2f3g s ILE 70 Cb -0.09 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2f3g s ILE 70 CO 0.07 0.48 1.32 0.49 0.00 0.00 0.00 174.94 177.29 2f3g n PHE 71 N 3.38 2.06 0.41 3.97 3.01 -0.77 -4.86 117.46 124.66 2f3g n PHE 71 Ca -0.19 0.42 0.06 0.00 1.01 0.00 0.00 57.45 58.75 2f3g n PHE 71 Cb 0.52 -2.30 0.25 0.00 -0.01 0.00 0.00 39.48 37.95 2f3g n PHE 71 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 2f3g n GLU 72 N -1.64 0.02 -0.05 -1.08 0.28 -1.26 -1.02 120.64 115.89 2f3g n GLU 72 Ca 0.14 0.29 0.11 0.00 -0.16 0.00 0.00 57.16 57.54 2f3g n GLU 72 Cb 0.47 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.97 2f3g n GLU 72 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2f3g n THR 73 N -1.47 0.15 -3.73 3.84 -2.24 -1.26 -4.91 114.28 104.65 2f3g n THR 73 Ca 0.03 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 2f3g n THR 73 Cb 0.13 1.33 0.05 0.00 -2.10 0.00 0.00 70.33 69.74 2f3g n THR 73 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2f3g n ASN 74 N 1.31 -5.52 -0.02 3.42 5.03 -0.19 -3.99 115.26 115.30 2f3g n ASN 74 Ca 0.15 -0.64 0.00 0.00 0.87 0.00 0.00 54.58 54.95 2f3g n ASN 74 Cb 0.57 -4.38 0.00 0.00 -1.02 0.00 0.00 39.78 34.95 2f3g n ASN 74 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2f3g n HIS 75 N -4.79 0.00 -3.91 3.10 1.44 -1.26 -4.68 115.22 105.11 2f3g n HIS 75 Ca 0.02 -0.03 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 2f3g n HIS 75 Cb 0.54 -0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.58 2f3g n HIS 75 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2f3g s ALA 76 N -0.09 -0.10 0.04 1.59 0.00 -1.26 -0.41 121.76 121.53 2f3g s ALA 76 Ca 0.01 -0.76 -0.28 0.00 0.00 0.00 0.00 51.96 50.93 2f3g s ALA 76 Cb 0.00 0.66 0.09 0.00 0.00 0.00 0.00 23.12 23.88 2f3g s ALA 76 CO 0.01 -0.57 0.85 -0.59 0.00 0.00 0.00 175.76 175.46 2f3g s PHE 77 N -3.91 -0.35 0.21 0.00 -0.12 0.25 -1.84 117.98 112.22 2f3g s PHE 77 Ca 0.11 0.19 0.11 0.00 -0.05 0.00 0.00 56.93 57.28 2f3g s PHE 77 Cb 0.04 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2f3g s PHE 77 CO -0.06 -0.62 -0.20 -1.54 -0.05 0.00 0.00 175.22 172.75 2f3g s SER 78 N -2.57 3.64 -0.03 1.98 1.04 -0.08 -1.18 113.70 116.51 2f3g s SER 78 Ca 0.05 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.59 2f3g s SER 78 Cb -0.01 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.75 2f3g s SER 78 CO -0.08 0.10 0.11 -0.51 0.98 0.00 0.00 173.24 173.84 2f3g s ILE 79 N -1.86 0.03 -0.24 -1.02 2.07 -0.72 0.40 121.20 119.86 2f3g s ILE 79 Ca 0.24 -0.26 -0.07 0.00 -1.41 0.00 0.00 60.65 59.15 2f3g s ILE 79 Cb -0.07 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 2f3g s ILE 79 CO 0.12 -0.14 0.06 -0.70 -1.91 0.00 0.00 174.94 172.37 2f3g s GLU 80 N -0.44 3.68 0.61 3.50 -6.30 -0.39 -1.59 118.70 117.77 2f3g s GLU 80 Ca -0.05 -0.47 -0.09 0.00 -2.50 0.00 0.00 54.97 51.86 2f3g s GLU 80 Cb -0.03 -3.28 -0.02 0.00 0.00 0.00 0.00 34.13 30.80 2f3g s GLU 80 CO 0.00 -0.12 0.98 -1.54 0.02 0.00 0.00 175.26 174.60 2f3g s SER 81 N 1.41 5.97 0.33 -1.70 1.04 0.40 -1.49 113.70 119.67 2f3g s SER 81 Ca 0.05 1.16 0.07 0.00 0.48 0.00 0.00 55.95 57.71 2f3g s SER 81 Cb -0.15 -2.19 0.59 0.00 0.10 0.00 0.00 66.02 64.37 2f3g s SER 81 CO 0.03 -0.95 1.80 0.44 0.98 0.00 0.00 173.24 175.55 2f3g h ASP 82 N -0.27 0.29 0.49 7.02 3.32 -1.64 -1.36 116.42 124.27 2f3g h ASP 82 Ca -0.45 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2f3g h ASP 82 Cb 1.22 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2f3g h ASP 82 CO 0.62 0.54 0.00 0.28 -1.72 0.00 0.00 179.24 178.97 2f3g h SER 83 N 0.27 0.00 0.00 6.45 0.02 -1.91 -3.45 113.55 114.92 2f3g h SER 83 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2f3g h SER 83 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2f3g h SER 83 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 2f3g n GLY 84 N -0.55 1.21 3.76 -3.77 0.00 -0.51 -5.08 105.19 100.24 2f3g n GLY 84 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2f3g n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f3g s VAL 85 N -2.00 5.43 -0.22 1.61 1.01 -1.26 -4.84 120.40 120.13 2f3g s VAL 85 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2f3g s VAL 85 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2f3g s VAL 85 CO 0.00 0.47 0.12 -1.61 0.00 0.00 0.00 175.10 174.08 2f3g s GLU 86 N 0.11 4.00 0.12 2.72 2.02 -1.26 -0.45 118.70 125.95 2f3g s GLU 86 Ca 0.09 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 54.85 2f3g s GLU 86 Cb -0.11 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2f3g s GLU 86 CO -0.01 0.11 -0.20 -0.51 0.02 0.00 0.00 175.26 174.67 2f3g s LEU 87 N 0.87 2.33 -0.06 1.80 2.01 -0.62 -1.00 118.68 124.02 2f3g s LEU 87 Ca 0.06 -0.73 0.01 0.00 0.01 0.00 0.00 54.13 53.48 2f3g s LEU 87 Cb -0.13 -0.86 0.02 0.00 0.01 0.00 0.00 46.19 45.23 2f3g s LEU 87 CO 0.03 0.03 -0.07 0.12 1.01 0.00 0.00 176.35 177.47 2f3g s PHE 88 N -1.40 1.04 -0.13 0.29 5.36 0.31 -1.76 117.98 121.69 2f3g s PHE 88 Ca 0.08 -0.36 0.01 0.00 -0.96 0.00 0.00 56.93 55.70 2f3g s PHE 88 Cb -0.09 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 41.75 2f3g s PHE 88 CO 0.05 -0.27 -0.16 0.08 -1.46 0.00 0.00 175.22 173.47 2f3g s VAL 89 N 1.03 1.60 -0.22 3.12 1.01 -0.33 -1.46 120.40 125.15 2f3g s VAL 89 Ca -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 2f3g s VAL 89 Cb -0.14 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.83 2f3g s VAL 89 CO -0.00 0.46 0.01 -2.28 0.00 0.00 0.00 175.10 173.29 2f3g s HIS 90 N 1.17 1.62 -0.02 5.22 2.46 -0.60 -0.58 115.29 124.55 2f3g s HIS 90 Ca -0.02 -1.29 -0.30 0.00 0.47 0.00 0.00 55.06 53.92 2f3g s HIS 90 Cb -0.14 -1.31 -0.06 0.00 -0.13 0.00 0.00 32.58 30.94 2f3g s HIS 90 CO -0.05 -0.70 1.70 0.12 -2.47 0.00 0.00 174.74 173.34 2f3g s PHE 91 N 1.65 1.93 0.10 3.88 2.19 0.45 -2.97 117.98 125.22 2f3g s PHE 91 Ca -0.02 0.11 0.00 0.00 0.33 0.00 0.00 56.93 57.36 2f3g s PHE 91 Cb -0.18 -3.97 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 2f3g s PHE 91 CO -0.09 -4.10 0.00 0.41 1.83 0.00 0.00 175.22 173.27 2f3g n GLY 92 N 4.17 -1.44 3.35 13.12 0.00 -0.64 -4.55 105.19 119.19 2f3g n GLY 92 Ca 0.17 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 2f3g n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f3g s ILE 93 N -0.72 3.13 -1.47 -0.61 -1.09 -0.69 -4.58 121.20 115.16 2f3g s ILE 93 Ca 0.00 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 2f3g s ILE 93 Cb 0.00 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 2f3g s ILE 93 CO 0.00 0.50 0.00 0.47 -1.23 0.00 0.00 174.94 174.68 2f3g n ASP 94 N 3.93 -4.70 0.31 3.58 8.00 -1.26 -4.07 116.55 122.34 2f3g n ASP 94 Ca -0.18 0.22 0.18 0.00 0.71 0.00 0.00 54.79 55.72 2f3g n ASP 94 Cb 0.52 -3.65 0.99 0.00 -0.02 0.00 0.00 41.12 38.96 2f3g n ASP 94 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2f3g h THR 95 N 0.00 0.24 -0.99 -3.53 2.02 -1.81 -2.40 112.91 106.44 2f3g h THR 95 Ca -0.33 -0.16 0.19 0.00 0.77 0.00 0.00 66.41 66.88 2f3g h THR 95 Cb 1.09 1.12 -0.10 0.00 -1.74 0.00 0.00 68.15 68.53 2f3g h THR 95 CO 0.44 0.02 0.61 -0.37 0.37 0.00 0.00 175.52 176.60 2f3g h VAL 96 N 0.00 0.71 -0.29 3.16 -1.51 -1.91 0.72 116.25 117.13 2f3g h VAL 96 Ca -0.00 -0.25 0.08 0.00 -1.23 0.00 0.00 66.70 65.31 2f3g h VAL 96 Cb 0.12 -0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.20 2f3g h VAL 96 CO 0.00 0.13 0.35 -0.33 -1.23 0.00 0.00 177.57 176.50 2f3g h GLU 97 N 0.72 0.00 0.00 5.19 5.08 -1.83 0.24 114.58 123.98 2f3g h GLU 97 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 2f3g h GLU 97 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2f3g h GLU 97 CO -0.34 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.95 2f3g n LEU 98 N -3.64 0.71 -2.95 1.33 4.32 0.25 -4.93 117.00 112.09 2f3g n LEU 98 Ca 0.04 0.64 -0.20 0.00 -0.02 0.00 0.00 56.01 56.47 2f3g n LEU 98 Cb 0.50 -0.50 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 2f3g n LEU 98 CO 0.26 -0.44 -0.07 0.29 -1.22 0.00 0.00 177.39 176.20 2f3g n LYS 99 N -2.24 -3.47 -0.08 3.23 5.02 0.84 -2.57 118.16 118.90 2f3g n LYS 99 Ca 0.03 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 2f3g n LYS 99 Cb 0.29 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 2f3g n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f3g n GLY 100 N -1.19 0.79 3.72 0.72 0.00 -1.26 -4.95 105.19 103.02 2f3g n GLY 100 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2f3g n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f3g s GLU 101 N -0.72 4.14 0.00 1.61 2.12 -1.06 -2.21 118.70 122.57 2f3g s GLU 101 Ca 0.00 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.90 2f3g s GLU 101 Cb 0.00 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2f3g s GLU 101 CO 0.00 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 2f3g n GLY 102 N 3.95 0.73 3.25 -1.50 0.00 -1.26 -4.99 105.19 105.37 2f3g n GLY 102 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2f3g n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f3g s PHE 103 N -2.52 1.82 -0.10 1.61 0.08 -0.94 -2.18 117.98 115.74 2f3g s PHE 103 Ca 0.00 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.69 2f3g s PHE 103 Cb 0.00 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 2f3g s PHE 103 CO 0.00 0.09 -0.12 0.15 -0.10 0.00 0.00 175.22 175.24 2f3g s LYS 104 N -1.15 1.84 -0.04 0.44 3.01 -0.49 -4.99 119.74 118.36 2f3g s LYS 104 Ca 0.07 -0.42 -0.26 0.00 -1.01 0.00 0.00 55.97 54.36 2f3g s LYS 104 Cb -0.09 -1.64 -0.03 0.00 -1.01 0.00 0.00 37.83 35.06 2f3g s LYS 104 CO 0.02 -0.10 0.81 0.50 0.51 0.00 0.00 175.35 177.09 2f3g s ARG 105 N 1.11 4.48 -0.25 1.68 3.52 -1.26 -1.52 118.95 126.70 2f3g s ARG 105 Ca -0.05 1.09 -0.07 0.00 -0.13 0.00 0.00 55.73 56.56 2f3g s ARG 105 Cb -0.14 -3.46 -0.13 0.00 -1.56 0.00 0.00 34.95 29.66 2f3g s ARG 105 CO -0.02 0.01 -0.29 -0.89 -0.81 0.00 0.00 175.30 173.30 2f3g n ILE 106 N 3.86 1.41 -2.23 4.11 2.08 0.16 -4.96 119.36 123.78 2f3g n ILE 106 Ca 0.02 -0.43 -0.27 0.00 0.56 0.00 0.00 62.75 62.63 2f3g n ILE 106 Cb 0.51 -1.66 0.05 0.00 -0.75 0.00 0.00 39.64 37.79 2f3g n ILE 106 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2f3g s ALA 107 N -2.48 3.17 0.12 -1.39 0.00 -0.47 -5.01 121.76 115.70 2f3g s ALA 107 Ca -0.35 -0.75 0.11 0.00 0.00 0.00 0.00 51.96 50.96 2f3g s ALA 107 Cb 0.12 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2f3g s ALA 107 CO 0.50 -1.09 -0.27 -1.83 0.00 0.00 0.00 175.76 173.06 2f3g s GLU 108 N -5.17 1.45 0.01 0.00 -1.05 -1.26 -5.02 118.70 107.66 2f3g s GLU 108 Ca 0.57 -1.32 -0.01 0.00 -0.15 0.00 0.00 54.97 54.06 2f3g s GLU 108 Cb -0.11 -1.91 -0.00 0.00 -0.44 0.00 0.00 34.13 31.67 2f3g s GLU 108 CO 0.46 0.46 0.42 0.39 0.95 0.00 0.00 175.26 177.93 2f3g n GLU 109 N 1.01 -0.02 -0.98 -4.83 1.02 -1.26 -0.80 120.64 114.79 2f3g n GLU 109 Ca -0.18 0.41 -0.08 0.00 -0.02 0.00 0.00 57.16 57.29 2f3g n GLU 109 Cb 0.53 -0.62 0.26 0.00 -0.02 0.00 0.00 31.44 31.59 2f3g n GLU 109 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f3g n GLY 110 N -1.01 4.09 3.72 0.62 0.00 -1.25 -3.09 105.19 108.28 2f3g n GLY 110 Ca 0.00 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 2f3g n GLY 110 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2f3g n GLN 111 N -0.57 1.90 -2.91 1.61 7.27 0.02 -4.51 117.38 120.19 2f3g n GLN 111 Ca 0.42 0.68 -0.42 0.00 0.07 0.00 0.00 57.00 57.76 2f3g n GLN 111 Cb 1.35 -2.49 -0.04 0.00 2.41 0.00 0.00 30.24 31.47 2f3g n GLN 111 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2f3g s ARG 112 N -2.47 4.21 0.28 3.69 1.81 -1.26 -1.39 118.95 123.83 2f3g s ARG 112 Ca 0.64 0.94 0.06 0.00 -1.72 0.00 0.00 55.73 55.65 2f3g s ARG 112 Cb -0.46 -3.62 -0.06 0.00 -0.45 0.00 0.00 34.95 30.36 2f3g s ARG 112 CO 0.55 -0.45 -0.04 0.14 -0.68 0.00 0.00 175.30 174.82 2f3g s VAL 113 N 2.60 1.56 0.22 3.52 -7.23 -0.05 -4.99 120.40 116.03 2f3g s VAL 113 Ca 0.35 -2.10 0.11 0.00 -1.81 0.00 0.00 61.98 58.53 2f3g s VAL 113 Cb -0.16 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 2f3g s VAL 113 CO 0.09 -0.26 -0.21 -0.54 -0.31 0.00 0.00 175.10 173.87 2f3g s LYS 114 N -3.75 1.50 0.11 4.82 1.02 -1.26 -2.09 119.74 120.09 2f3g s LYS 114 Ca 0.30 -1.58 -0.35 0.00 0.02 0.00 0.00 55.97 54.36 2f3g s LYS 114 Cb 0.05 -1.66 -0.17 0.00 -0.52 0.00 0.00 37.83 35.53 2f3g s LYS 114 CO 0.12 0.33 1.17 0.28 -0.92 0.00 0.00 175.35 176.34 2f3g n VAL 115 N -0.06 0.47 -0.06 3.17 0.31 -1.24 -0.45 118.33 120.46 2f3g n VAL 115 Ca -0.10 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2f3g n VAL 115 Cb 0.58 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2f3g n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2f3g n GLY 116 N 2.10 1.06 3.70 2.92 0.00 -0.43 -4.95 105.19 109.59 2f3g n GLY 116 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2f3g n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f3g s ASP 117 N -2.80 6.93 0.23 1.61 1.01 0.40 -4.66 116.67 119.39 2f3g s ASP 117 Ca 0.00 2.08 -0.32 0.00 0.71 0.00 0.00 52.55 55.02 2f3g s ASP 117 Cb 0.00 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 2f3g s ASP 117 CO 0.00 -0.63 1.65 0.41 0.21 0.00 0.00 175.17 176.81 2f3g n THR 118 N 4.37 0.32 -0.04 -1.27 -1.04 -1.26 -0.50 114.28 114.85 2f3g n THR 118 Ca 0.12 -0.08 -0.05 0.00 -2.04 0.00 0.00 64.05 61.99 2f3g n THR 118 Cb 0.44 -1.89 -0.05 0.00 -1.82 0.00 0.00 70.33 67.02 2f3g n THR 118 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2f3g n VAL 119 N 3.30 0.54 -3.83 12.58 0.24 0.83 -4.15 118.33 127.84 2f3g n VAL 119 Ca 0.14 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.34 62.07 2f3g n VAL 119 Cb 0.34 -0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 31.77 2f3g n VAL 119 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2f3g s ILE 120 N -2.19 0.03 -0.05 1.34 1.01 -1.18 0.37 121.20 120.53 2f3g s ILE 120 Ca -0.09 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.38 2f3g s ILE 120 Cb 0.03 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 2f3g s ILE 120 CO 0.26 -0.12 -0.20 -1.61 0.00 0.00 0.00 174.94 173.26 2f3g s GLU 121 N -0.40 2.51 0.17 2.79 2.02 -0.58 -1.30 118.70 123.92 2f3g s GLU 121 Ca -0.05 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.20 2f3g s GLU 121 Cb -0.03 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 2f3g s GLU 121 CO 0.01 0.50 -0.13 -0.59 0.02 0.00 0.00 175.26 175.07 2f3g s PHE 122 N -0.44 1.51 -0.86 1.61 -0.12 0.13 -1.39 117.98 118.42 2f3g s PHE 122 Ca 0.05 -0.63 -0.10 0.00 -0.05 0.00 0.00 56.93 56.20 2f3g s PHE 122 Cb -0.12 -0.73 0.22 0.00 -0.63 0.00 0.00 43.02 41.76 2f3g s PHE 122 CO 0.01 0.23 0.78 0.34 -0.05 0.00 0.00 175.22 176.54 2f3g s ASP 123 N -3.13 6.52 0.13 1.98 -1.08 -0.93 -4.66 116.67 115.51 2f3g s ASP 123 Ca 0.18 -3.04 -0.19 0.00 -0.52 0.00 0.00 52.55 48.98 2f3g s ASP 123 Cb -0.00 -2.11 -0.05 0.00 -1.46 0.00 0.00 42.92 39.30 2f3g s ASP 123 CO 0.04 -0.43 1.78 0.25 0.52 0.00 0.00 175.17 177.33 2f3g h LEU 124 N 7.19 0.24 -1.22 -1.34 5.85 -1.89 -1.45 115.31 122.69 2f3g h LEU 124 Ca 0.11 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.95 2f3g h LEU 124 Cb 0.96 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 2f3g h LEU 124 CO 0.81 0.18 0.58 -0.65 -0.34 0.00 0.00 178.44 179.01 2f3g h PRO 125 N 0.29 0.77 -0.21 5.25 0.11 -1.94 0.89 132.00 137.18 2f3g h PRO 125 Ca 0.09 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 2f3g h PRO 125 Cb -0.02 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 2f3g h PRO 125 CO -0.03 0.51 -0.17 1.25 -0.21 0.00 0.00 178.00 179.35 2f3g h LEU 126 N 0.80 0.51 -0.91 2.35 5.85 -1.95 -3.01 115.31 118.95 2f3g h LEU 126 Ca 0.44 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2f3g h LEU 126 Cb 0.57 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2f3g h LEU 126 CO -0.20 0.86 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.47 2f3g h LEU 127 N 0.17 0.54 -1.42 2.25 3.38 0.17 -1.59 115.31 118.81 2f3g h LEU 127 Ca 0.04 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2f3g h LEU 127 Cb 0.70 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2f3g h LEU 127 CO 0.04 0.76 -0.29 -0.33 0.09 0.00 0.00 178.44 178.72 2f3g h GLU 128 N 0.48 0.00 0.01 1.13 5.08 0.73 0.49 114.58 122.49 2f3g h GLU 128 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2f3g h GLU 128 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2f3g h GLU 128 CO 0.05 0.29 -0.16 0.93 -1.00 0.00 0.00 179.01 179.12 2f3g h GLU 129 N 0.00 0.10 0.00 2.33 5.08 -1.31 -3.39 114.58 117.39 2f3g h GLU 129 Ca -0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2f3g h GLU 129 Cb 0.54 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2f3g h GLU 129 CO 0.04 0.90 -1.51 1.63 -1.00 0.00 0.00 179.01 179.07 2f3g n LYS 130 N -4.57 0.63 -2.53 2.33 5.02 -0.64 -4.94 118.16 113.47 2f3g n LYS 130 Ca -0.10 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.80 2f3g n LYS 130 Cb 0.48 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 2f3g n LYS 130 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2f3g s ALA 131 N -3.33 3.31 0.21 7.82 0.00 0.17 -4.90 121.76 125.03 2f3g s ALA 131 Ca -0.04 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 52.64 2f3g s ALA 131 Cb 0.11 -3.30 0.15 0.00 0.00 0.00 0.00 23.12 20.08 2f3g s ALA 131 CO 0.84 -0.13 1.79 0.87 0.00 0.00 0.00 175.76 179.13 2f3g h LYS 132 N 3.46 1.11 -2.76 0.00 1.57 -1.86 -3.45 116.57 114.64 2f3g h LYS 132 Ca -0.47 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.05 2f3g h LYS 132 Cb 1.21 -0.20 -0.19 0.00 0.08 0.00 0.00 32.23 33.14 2f3g h LYS 132 CO 0.66 0.87 -0.11 0.45 -0.57 0.00 0.00 179.45 180.74 2f3g s SER 133 N -6.21 -0.34 0.00 0.86 0.15 -1.26 -5.00 113.70 101.91 2f3g s SER 133 Ca -0.13 0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.83 2f3g s SER 133 Cb 0.15 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.88 2f3g s SER 133 CO 0.82 -0.54 0.62 1.07 1.20 0.00 0.00 173.24 176.41 2f3g n THR 134 N 0.98 0.00 -1.71 6.45 5.66 -1.26 -1.71 114.28 122.70 2f3g n THR 134 Ca -0.20 -0.45 -0.43 0.00 -3.05 0.00 0.00 64.05 59.92 2f3g n THR 134 Cb 0.57 1.12 -0.03 0.00 -1.55 0.00 0.00 70.33 70.44 2f3g n THR 134 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2f3g n LEU 135 N -0.03 3.77 -3.96 1.09 4.77 -1.26 -3.78 117.00 117.60 2f3g n LEU 135 Ca 0.04 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.82 2f3g n LEU 135 Cb 0.18 -1.52 -0.15 0.00 -2.33 0.00 0.00 43.42 39.59 2f3g n LEU 135 CO 0.08 -0.04 -0.40 -0.89 -1.33 0.00 0.00 177.39 174.82 2f3g s THR 136 N 0.55 1.75 0.23 -5.08 2.01 -0.08 -1.62 115.64 113.40 2f3g s THR 136 Ca 0.71 -1.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 2f3g s THR 136 Cb -0.56 -2.09 -0.09 0.00 0.01 0.00 0.00 72.50 69.77 2f3g s THR 136 CO 0.41 -0.28 1.12 -2.84 -0.69 0.00 0.00 174.62 172.34 2f3g s PRO 137 N 1.24 4.60 -0.28 4.92 0.02 -1.16 -0.96 135.00 143.39 2f3g s PRO 137 Ca -0.00 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.84 2f3g s PRO 137 Cb -0.19 -3.22 0.07 0.00 0.02 0.00 0.00 34.50 31.18 2f3g s PRO 137 CO -0.09 0.11 -0.05 0.08 -0.33 0.00 0.00 177.00 176.72 2f3g s VAL 138 N -0.68 1.99 0.03 3.83 1.01 0.96 -1.56 120.40 125.98 2f3g s VAL 138 Ca 0.47 -1.70 0.03 0.00 0.00 0.00 0.00 61.98 60.79 2f3g s VAL 138 Cb -0.31 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2f3g s VAL 138 CO 0.38 -0.21 -0.10 0.68 0.00 0.00 0.00 175.10 175.85 2f3g s VAL 139 N 1.14 0.80 -0.49 2.92 -7.23 -0.53 -0.62 120.40 116.39 2f3g s VAL 139 Ca -0.03 -0.84 -0.24 0.00 -1.81 0.00 0.00 61.98 59.06 2f3g s VAL 139 Cb -0.19 -0.75 0.03 0.00 0.56 0.00 0.00 36.38 36.03 2f3g s VAL 139 CO -0.07 -0.07 0.86 -0.63 -0.31 0.00 0.00 175.10 174.88 2f3g s ILE 140 N -0.82 4.54 -2.08 -0.62 1.09 0.11 -0.53 121.20 122.88 2f3g s ILE 140 Ca -0.01 0.38 0.18 0.00 -1.10 0.00 0.00 60.65 60.09 2f3g s ILE 140 Cb -0.07 -4.42 0.46 0.00 -1.06 0.00 0.00 42.46 37.37 2f3g s ILE 140 CO 0.01 -0.89 1.59 -1.54 -0.10 0.00 0.00 174.94 174.01 2f3g n SER 141 N 7.03 0.56 -1.17 3.58 3.41 -0.17 -3.40 113.62 123.46 2f3g n SER 141 Ca 0.02 -1.57 0.05 0.00 -0.26 0.00 0.00 58.87 57.12 2f3g n SER 141 Cb 0.48 -0.04 0.28 0.00 -0.26 0.00 0.00 64.21 64.67 2f3g n SER 141 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2f3g n ASN 142 N -0.39 4.08 -0.34 4.04 4.05 -1.25 -4.84 115.26 120.61 2f3g n ASN 142 Ca 0.13 -3.12 0.14 0.00 0.45 0.00 0.00 54.58 52.19 2f3g n ASN 142 Cb 0.15 -0.60 0.28 0.00 1.23 0.00 0.00 39.78 40.84 2f3g n ASN 142 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 2f3g h MET 143 N 2.08 0.01 -0.88 1.20 2.86 -1.87 -2.04 114.93 116.29 2f3g h MET 143 Ca 0.05 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2f3g h MET 143 Cb 1.64 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.25 2f3g h MET 143 CO 0.33 0.00 0.56 0.38 1.06 0.00 0.00 176.91 179.25 2f3g h ASP 144 N 0.01 0.93 0.07 1.22 3.04 -1.95 -2.76 116.42 116.97 2f3g h ASP 144 Ca 0.59 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.38 2f3g h ASP 144 Cb 1.20 -0.21 0.00 0.00 -1.04 0.00 0.00 39.33 39.28 2f3g h ASP 144 CO -0.93 0.64 0.00 -0.62 -2.04 0.00 0.00 179.24 176.28 2f3g n GLU 145 N -4.54 0.47 -5.27 4.15 1.02 -0.77 -4.75 120.64 110.95 2f3g n GLU 145 Ca 0.11 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.97 2f3g n GLU 145 Cb 0.10 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.86 2f3g n GLU 145 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2f3g s ILE 146 N -2.12 2.13 -0.05 -3.67 -4.36 -1.04 -4.90 121.20 107.19 2f3g s ILE 146 Ca 0.24 -1.07 -0.22 0.00 -0.26 0.00 0.00 60.65 59.34 2f3g s ILE 146 Cb 0.12 -1.75 -0.31 0.00 1.25 0.00 0.00 42.46 41.76 2f3g s ILE 146 CO 0.21 0.58 0.89 0.11 0.24 0.00 0.00 174.94 176.97 2f3g h LYS 147 N 5.63 0.30 -2.39 0.37 1.79 -1.60 -3.48 116.57 117.19 2f3g h LYS 147 Ca -0.40 -0.51 -0.08 0.00 -2.18 0.00 0.00 60.65 57.48 2f3g h LYS 147 Cb 1.14 0.19 -0.23 0.00 -1.58 0.00 0.00 32.23 31.75 2f3g h LYS 147 CO 0.47 1.24 -0.10 -2.00 -1.08 0.00 0.00 179.45 177.99 2f3g s GLU 148 N -2.43 0.61 -0.16 3.15 2.12 0.81 -4.97 118.70 117.83 2f3g s GLU 148 Ca -0.14 0.83 0.01 0.00 0.36 0.00 0.00 54.97 56.04 2f3g s GLU 148 Cb 0.01 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.65 2f3g s GLU 148 CO 0.83 -0.10 -0.19 -1.17 -0.54 0.00 0.00 175.26 174.09 2f3g s LEU 149 N 0.66 2.03 -0.23 2.70 0.20 -1.26 0.23 118.68 123.01 2f3g s LEU 149 Ca -0.03 -0.60 -0.02 0.00 0.69 0.00 0.00 54.13 54.17 2f3g s LEU 149 Cb -0.05 -1.40 0.01 0.00 -0.43 0.00 0.00 46.19 44.33 2f3g s LEU 149 CO -0.04 0.02 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.33 2f3g s ILE 150 N 1.14 2.98 -0.01 6.68 1.09 0.46 -4.99 121.20 128.54 2f3g s ILE 150 Ca 0.00 -0.79 -0.18 0.00 -1.10 0.00 0.00 60.65 58.58 2f3g s ILE 150 Cb -0.14 -2.41 -0.05 0.00 -1.06 0.00 0.00 42.46 38.79 2f3g s ILE 150 CO -0.08 0.34 0.49 -0.54 -0.10 0.00 0.00 174.94 175.05 2f3g s LYS 151 N 1.39 4.16 0.73 2.79 1.02 -1.26 -1.43 119.74 127.13 2f3g s LYS 151 Ca 0.03 0.55 -0.00 0.00 0.02 0.00 0.00 55.97 56.57 2f3g s LYS 151 Cb -0.15 -3.30 0.13 0.00 -0.52 0.00 0.00 37.83 33.99 2f3g s LYS 151 CO -0.05 0.49 1.00 -0.51 -0.92 0.00 0.00 175.35 175.36 2f3g s LEU 152 N -0.50 2.96 0.22 3.17 1.43 -0.41 -5.00 118.68 120.55 2f3g s LEU 152 Ca 0.27 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2f3g s LEU 152 Cb -0.17 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2f3g s LEU 152 CO 0.14 -1.89 0.06 -0.94 0.23 0.00 0.00 176.35 173.95 2f3g s SER 153 N -4.76 1.10 0.00 2.29 1.04 -1.26 -4.96 113.70 107.15 2f3g s SER 153 Ca 0.67 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2f3g s SER 153 Cb -0.05 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2f3g s SER 153 CO 0.44 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2f3g n GLY 154 N -0.36 -1.78 3.79 7.32 0.00 -1.26 -4.93 105.19 107.97 2f3g n GLY 154 Ca -0.02 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2f3g n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f3g s SER 155 N -4.00 7.23 0.04 1.61 0.01 -1.26 -0.99 113.70 116.34 2f3g s SER 155 Ca 0.00 1.55 0.03 0.00 1.31 0.00 0.00 55.95 58.84 2f3g s SER 155 Cb 0.00 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 2f3g s SER 155 CO 0.00 0.11 -0.09 0.68 0.41 0.00 0.00 173.24 174.36 2f3g s VAL 156 N -1.35 0.62 -0.12 3.43 -7.23 -0.57 -4.95 120.40 110.23 2f3g s VAL 156 Ca 0.40 -1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 59.49 2f3g s VAL 156 Cb -0.20 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 2f3g s VAL 156 CO 0.23 -0.33 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.71 2f3g s THR 157 N -1.30 3.46 0.05 5.32 2.01 -1.26 -2.11 115.64 121.80 2f3g s THR 157 Ca -0.08 -0.53 -0.36 0.00 0.31 0.00 0.00 61.69 61.03 2f3g s THR 157 Cb -0.10 -2.45 -0.15 0.00 0.01 0.00 0.00 72.50 69.81 2f3g s THR 157 CO 0.01 0.54 1.56 0.55 -0.69 0.00 0.00 174.62 176.58 2f3g n VAL 158 N 3.13 0.12 -0.86 3.82 3.14 -1.26 -1.54 118.33 124.88 2f3g n VAL 158 Ca -0.18 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2f3g n VAL 158 Cb 0.53 -1.30 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 2f3g n VAL 158 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2f3g n GLY 159 N 3.33 0.36 0.79 7.55 0.00 0.51 -4.77 105.19 112.97 2f3g n GLY 159 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 2f3g n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2f3g n GLU 160 N -1.48 0.14 -2.92 1.61 -0.58 -0.59 -4.73 120.64 112.09 2f3g n GLU 160 Ca 0.00 0.06 -0.39 0.00 -0.42 0.00 0.00 57.16 56.41 2f3g n GLU 160 Cb 0.12 -0.75 -0.06 0.00 -0.57 0.00 0.00 31.44 30.19 2f3g n GLU 160 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2f3g s THR 161 N -2.21 4.30 0.52 2.62 2.01 -1.03 -4.82 115.64 117.04 2f3g s THR 161 Ca -0.08 1.77 -0.20 0.00 0.31 0.00 0.00 61.69 63.49 2f3g s THR 161 Cb 0.02 -4.15 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 2f3g s THR 161 CO 0.12 0.46 1.09 -2.16 -0.69 0.00 0.00 174.62 173.44 2f3g s PRO 162 N -1.30 3.53 0.00 4.92 0.04 -1.26 -0.32 135.00 140.60 2f3g s PRO 162 Ca 0.39 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2f3g s PRO 162 Cb -0.23 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2f3g s PRO 162 CO 0.27 -0.68 0.00 1.33 0.04 0.00 0.00 177.00 177.96 2f3g n VAL 163 N -1.20 0.00 -3.78 -0.36 0.24 0.12 -4.78 118.33 108.56 2f3g n VAL 163 Ca 0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.28 2f3g n VAL 163 Cb 0.52 -0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 32.41 2f3g n VAL 163 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2f3g s ILE 164 N -1.64 0.01 -0.05 1.34 1.01 -1.18 -1.29 121.20 119.40 2f3g s ILE 164 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.65 2f3g s ILE 164 Cb 0.00 -0.39 -0.00 0.00 0.01 0.00 0.00 42.46 42.07 2f3g s ILE 164 CO 0.00 -0.03 -0.19 -0.13 0.00 0.00 0.00 174.94 174.59 2f3g s ARG 165 N 0.01 2.05 0.23 2.79 0.52 -0.51 -0.54 118.95 123.49 2f3g s ARG 165 Ca -0.01 -0.70 0.09 0.00 -0.52 0.00 0.00 55.73 54.59 2f3g s ARG 165 Cb -0.02 -1.75 -0.05 0.00 0.52 0.00 0.00 34.95 33.65 2f3g s ARG 165 CO 0.01 0.27 -0.17 0.96 0.02 0.00 0.00 175.30 176.39 2f3g s ILE 166 N 0.01 2.01 -0.27 1.52 -5.25 0.18 -0.40 121.20 119.01 2f3g s ILE 166 Ca -0.05 -2.26 0.01 0.00 -0.99 0.00 0.00 60.65 57.36 2f3g s ILE 166 Cb -0.13 -2.12 0.08 0.00 2.95 0.00 0.00 42.46 43.24 2f3g s ILE 166 CO 0.03 -0.50 0.00 -0.54 -1.79 0.00 0.00 174.94 172.14 2f3g s LYS 167 N -3.53 1.32 0.00 0.37 1.02 0.13 0.50 119.74 119.56 2f3g s LYS 167 Ca 0.25 -1.11 0.13 0.00 0.02 0.00 0.00 55.97 55.26 2f3g s LYS 167 Cb -0.03 -2.52 0.10 0.00 -0.52 0.00 0.00 37.83 34.87 2f3g s LYS 167 CO 0.10 -0.74 0.91 1.17 -0.92 0.00 0.00 175.35 175.86