#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o2f s ILE 20 N 0.00 4.65 -0.24 1.09 1.09 0.18 -4.90 121.20 123.06 1o2f s ILE 20 Ca 0.00 -0.10 -0.08 0.00 -1.10 0.00 0.00 60.65 59.37 1o2f s ILE 20 Cb 0.00 -3.04 -0.04 0.00 -1.06 0.00 0.00 42.46 38.32 1o2f s ILE 20 CO 0.00 0.53 0.10 -1.61 -0.10 0.00 0.00 174.94 173.85 1o2f s GLU 21 N -0.16 3.78 -0.24 2.79 2.02 -1.26 -0.57 118.70 125.06 1o2f s GLU 21 Ca 0.06 -0.42 -0.20 0.00 0.02 0.00 0.00 54.97 54.43 1o2f s GLU 21 Cb -0.12 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 1o2f s GLU 21 CO 0.01 -0.11 0.63 0.42 0.02 0.00 0.00 175.26 176.24 1o2f s ILE 22 N 1.43 4.99 0.23 -1.63 -1.09 0.19 -4.92 121.20 120.40 1o2f s ILE 22 Ca 0.06 1.15 -0.13 0.00 -2.23 0.00 0.00 60.65 59.49 1o2f s ILE 22 Cb -0.15 -3.94 -0.08 0.00 -1.58 0.00 0.00 42.46 36.72 1o2f s ILE 22 CO 0.05 0.05 0.62 -0.63 -1.23 0.00 0.00 174.94 173.80 1o2f s ILE 23 N 2.34 4.80 0.08 2.92 -1.09 -0.62 0.23 121.20 129.87 1o2f s ILE 23 Ca 0.27 0.79 -0.34 0.00 -2.23 0.00 0.00 60.65 59.14 1o2f s ILE 23 Cb -0.16 -3.68 -0.14 0.00 -1.58 0.00 0.00 42.46 36.91 1o2f s ILE 23 CO 0.09 0.02 1.64 0.00 -1.23 0.00 0.00 174.94 175.46 1o2f n ALA 24 N 0.18 1.00 0.17 9.38 0.00 0.37 -4.38 120.51 127.21 1o2f n ALA 24 Ca -0.01 0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.90 1o2f n ALA 24 Cb 0.52 -2.36 0.12 0.00 0.00 0.00 0.00 19.45 17.73 1o2f n ALA 24 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1o2f h PRO 25 N 6.67 0.00 -3.87 0.00 0.13 -1.90 0.12 132.00 133.15 1o2f h PRO 25 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1o2f h PRO 25 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1o2f h PRO 25 CO 0.90 0.37 -0.32 -0.48 -0.23 0.00 0.00 178.00 178.24 1o2f s LEU 26 N -6.48 0.99 0.41 1.56 0.05 -1.26 -0.23 118.68 113.72 1o2f s LEU 26 Ca 0.04 -0.85 -0.13 0.00 0.05 0.00 0.00 54.13 53.24 1o2f s LEU 26 Cb 0.08 1.18 -0.07 0.00 -2.05 0.00 0.00 46.19 45.33 1o2f s LEU 26 CO 0.71 -0.88 0.82 -0.44 -0.55 0.00 0.00 176.35 176.01 1o2f s SER 27 N -2.96 6.61 0.00 1.48 0.01 -1.26 -4.06 113.70 113.51 1o2f s SER 27 Ca 0.16 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1o2f s SER 27 Cb 0.03 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1o2f s SER 27 CO -0.01 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1o2f n GLY 28 N -1.16 -0.09 3.48 3.44 0.00 -1.07 -1.82 105.19 107.98 1o2f n GLY 28 Ca 0.04 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1o2f n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o2f s GLU 29 N -2.00 2.76 0.34 1.61 0.41 -0.84 -0.70 118.70 120.28 1o2f s GLU 29 Ca 0.00 -0.65 -0.27 0.00 -0.41 0.00 0.00 54.97 53.63 1o2f s GLU 29 Cb 0.00 -2.49 -0.09 0.00 -1.78 0.00 0.00 34.13 29.76 1o2f s GLU 29 CO 0.00 0.55 1.13 0.42 -0.49 0.00 0.00 175.26 176.87 1o2f s ILE 30 N -0.52 3.34 0.11 -1.63 1.01 -0.15 -1.52 121.20 121.84 1o2f s ILE 30 Ca 0.07 1.24 0.04 0.00 0.00 0.00 0.00 60.65 62.00 1o2f s ILE 30 Cb -0.12 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1o2f s ILE 30 CO 0.02 0.21 -0.10 -0.69 0.00 0.00 0.00 174.94 174.38 1o2f s VAL 31 N -1.30 1.00 0.29 2.92 1.01 0.47 -4.73 120.40 120.06 1o2f s VAL 31 Ca 0.50 -1.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1o2f s VAL 31 Cb -0.31 -1.48 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 1o2f s VAL 31 CO 0.40 -0.60 1.28 0.20 0.00 0.00 0.00 175.10 176.37 1o2f s ASN 32 N -2.61 6.88 0.49 3.32 0.02 -1.26 -1.88 114.94 119.89 1o2f s ASN 32 Ca 0.08 2.56 0.31 0.00 -1.02 0.00 0.00 52.86 54.80 1o2f s ASN 32 Cb -0.02 -2.64 1.27 0.00 0.02 0.00 0.00 41.25 39.89 1o2f s ASN 32 CO 0.00 -0.47 1.92 -0.29 0.02 0.00 0.00 177.10 178.28 1o2f h ILE 33 N 3.20 0.00 0.00 0.60 2.10 -1.88 -1.74 117.51 119.79 1o2f h ILE 33 Ca -0.48 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.00 1o2f h ILE 33 Cb 1.22 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 1o2f h ILE 33 CO 0.68 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.91 1o2f n GLU 34 N -2.91 0.00 -0.30 2.19 0.00 -1.26 -2.83 120.64 115.53 1o2f n GLU 34 Ca 0.01 0.01 0.10 0.00 0.00 0.00 0.00 57.16 57.29 1o2f n GLU 34 Cb 0.29 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.51 1o2f n GLU 34 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1o2f n ASP 35 N -1.50 3.35 -4.75 -1.84 8.00 -0.66 -4.88 116.55 114.28 1o2f n ASP 35 Ca 0.07 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.18 1o2f n ASP 35 Cb 0.33 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 1o2f n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1o2f s VAL 36 N -1.22 4.39 0.00 2.53 1.01 -1.13 -4.92 120.40 121.07 1o2f s VAL 36 Ca 0.42 1.93 -0.03 0.00 0.00 0.00 0.00 61.98 64.30 1o2f s VAL 36 Cb 0.22 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 1o2f s VAL 36 CO 0.29 0.42 2.25 -0.81 0.00 0.00 0.00 175.10 177.25 1o2f n PRO 37 N 2.19 1.15 -3.54 2.72 -0.04 -1.26 -4.56 135.00 131.66 1o2f n PRO 37 Ca -0.01 -0.50 -0.09 0.00 -0.04 0.00 0.00 63.50 62.86 1o2f n PRO 37 Cb 0.49 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 1o2f n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1o2f s ASP 38 N 2.27 0.03 0.31 3.54 -1.08 -1.26 -5.05 116.67 115.43 1o2f s ASP 38 Ca 0.33 0.64 -0.00 0.00 -0.52 0.00 0.00 52.55 53.00 1o2f s ASP 38 Cb 0.16 1.17 0.50 0.00 -1.46 0.00 0.00 42.92 43.29 1o2f s ASP 38 CO 0.00 -0.26 1.95 -0.37 0.52 0.00 0.00 175.17 177.01 1o2f h VAL 39 N 6.19 1.20 -0.38 1.11 -1.51 -1.97 0.33 116.25 121.22 1o2f h VAL 39 Ca -0.17 -0.46 -0.07 0.00 -1.23 0.00 0.00 66.70 64.77 1o2f h VAL 39 Cb 1.13 0.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 1o2f h VAL 39 CO 0.18 0.21 -0.04 -0.37 -1.23 0.00 0.00 177.57 176.33 1o2f h VAL 40 N 0.95 1.23 0.07 7.19 -1.51 -1.96 0.41 116.25 122.62 1o2f h VAL 40 Ca 0.25 -0.95 -0.13 0.00 -1.23 0.00 0.00 66.70 64.64 1o2f h VAL 40 Cb -0.01 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1o2f h VAL 40 CO -0.04 0.32 -0.63 -0.26 -1.23 0.00 0.00 177.57 175.73 1o2f h PHE 41 N 0.59 0.26 -0.81 5.19 0.04 -1.82 0.16 116.94 120.54 1o2f h PHE 41 Ca 0.12 -0.19 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1o2f h PHE 41 Cb 0.43 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 1o2f h PHE 41 CO 0.02 1.24 0.53 0.00 -0.60 0.00 0.00 178.31 179.50 1o2f h ALA 42 N -0.03 1.46 -0.26 2.45 0.00 -0.27 0.16 119.26 122.76 1o2f h ALA 42 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1o2f h ALA 42 Cb 1.37 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1o2f h ALA 42 CO 0.04 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.16 1o2f n GLU 43 N -4.43 1.64 -3.79 0.00 -0.58 0.14 -4.48 120.64 109.15 1o2f n GLU 43 Ca 0.10 -1.00 -0.29 0.00 -0.42 0.00 0.00 57.16 55.54 1o2f n GLU 43 Cb 0.06 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1o2f n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1o2f n LYS 44 N 0.29 -4.17 0.13 3.49 5.02 0.55 -4.82 118.16 118.66 1o2f n LYS 44 Ca 0.10 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1o2f n LYS 44 Cb 0.24 -5.30 0.30 0.00 -0.02 0.00 0.00 35.03 30.25 1o2f n LYS 44 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1o2f h ILE 45 N -1.54 1.28 -0.17 -0.18 1.08 -0.92 -2.07 117.51 114.98 1o2f h ILE 45 Ca -0.53 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.61 1o2f h ILE 45 Cb 1.35 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 1o2f h ILE 45 CO 0.65 0.39 0.00 1.33 -0.69 0.00 0.00 178.15 179.84 1o2f n VAL 46 N -4.09 0.22 0.00 1.67 0.24 -1.22 -5.03 118.33 110.11 1o2f n VAL 46 Ca -0.01 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1o2f n VAL 46 Cb 0.42 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1o2f n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1o2f n GLY 47 N 1.17 0.88 3.40 7.63 0.00 -0.78 -4.46 105.19 113.03 1o2f n GLY 47 Ca 0.17 -2.14 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1o2f n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o2f s ASP 48 N -0.82 3.26 0.00 1.61 2.15 -1.07 -4.34 116.67 117.46 1o2f s ASP 48 Ca 0.00 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.13 1o2f s ASP 48 Cb 0.00 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 1o2f s ASP 48 CO 0.00 0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.71 1o2f n GLY 49 N 0.37 -0.76 3.37 2.66 0.00 -1.26 0.85 105.19 110.42 1o2f n GLY 49 Ca -0.13 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1o2f n GLY 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1o2f n ILE 50 N 0.74 0.00 -4.36 -0.61 -6.64 -0.75 -4.45 119.36 103.30 1o2f n ILE 50 Ca 0.00 -2.47 -0.19 0.00 -1.77 0.00 0.00 62.75 58.32 1o2f n ILE 50 Cb 0.00 1.04 -0.10 0.00 -1.44 0.00 0.00 39.64 39.14 1o2f n ILE 50 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1o2f s ALA 51 N -3.25 2.07 -0.05 -1.28 0.00 -0.79 0.16 121.76 118.63 1o2f s ALA 51 Ca 0.30 -1.68 -0.00 0.00 0.00 0.00 0.00 51.96 50.58 1o2f s ALA 51 Cb 0.01 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.08 1o2f s ALA 51 CO 0.21 0.07 -0.00 0.42 0.00 0.00 0.00 175.76 176.47 1o2f s ILE 52 N -2.95 0.27 -0.52 0.00 1.01 -0.37 -0.39 121.20 118.24 1o2f s ILE 52 Ca 0.23 0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.71 1o2f s ILE 52 Cb -0.01 -0.39 0.03 0.00 0.01 0.00 0.00 42.46 42.11 1o2f s ILE 52 CO 0.07 0.20 1.09 -0.75 0.00 0.00 0.00 174.94 175.56 1o2f s LYS 53 N 1.41 3.56 0.55 2.79 2.36 -0.57 -2.29 119.74 127.56 1o2f s LYS 53 Ca -0.04 0.27 -0.20 0.00 -2.55 0.00 0.00 55.97 53.45 1o2f s LYS 53 Cb -0.13 -3.97 -0.05 0.00 -1.05 0.00 0.00 37.83 32.63 1o2f s LYS 53 CO -0.03 -1.47 1.22 -2.14 1.55 0.00 0.00 175.35 174.48 1o2f s PRO 54 N 4.44 3.20 0.00 4.03 0.02 -1.26 -1.99 135.00 143.45 1o2f s PRO 54 Ca 0.42 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1o2f s PRO 54 Cb -0.08 -2.09 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1o2f s PRO 54 CO 0.27 -1.03 0.03 0.25 -0.33 0.00 0.00 177.00 176.19 1o2f n THR 55 N -1.23 0.00 -1.18 0.99 -2.24 -0.75 -4.89 114.28 104.97 1o2f n THR 55 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1o2f n THR 55 Cb 0.49 1.87 0.00 0.00 -2.10 0.00 0.00 70.33 70.58 1o2f n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o2f n GLY 56 N 0.00 3.26 0.35 3.38 0.00 -1.26 -4.98 105.19 105.95 1o2f n GLY 56 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1o2f n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1o2f n ASN 57 N 0.00 0.00 -3.55 1.61 0.23 -1.26 -4.59 115.26 107.70 1o2f n ASN 57 Ca 0.00 -1.63 -0.15 0.00 -0.53 0.00 0.00 54.58 52.27 1o2f n ASN 57 Cb 0.00 -0.13 -0.05 0.00 -2.08 0.00 0.00 39.78 37.52 1o2f n ASN 57 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1o2f s LYS 58 N 0.00 1.06 -0.19 -3.83 -2.85 -1.26 -1.49 119.74 111.18 1o2f s LYS 58 Ca 0.00 -0.12 -0.01 0.00 -1.00 0.00 0.00 55.97 54.84 1o2f s LYS 58 Cb 0.00 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 1o2f s LYS 58 CO 0.00 -0.38 -0.12 -1.64 0.10 0.00 0.00 175.35 173.31 1o2f s MET 59 N -2.20 3.22 0.51 1.78 -1.94 0.13 -4.51 119.30 116.29 1o2f s MET 59 Ca -0.06 -0.72 0.05 0.00 -1.71 0.00 0.00 55.69 53.24 1o2f s MET 59 Cb -0.01 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 34.09 1o2f s MET 59 CO 0.00 -0.12 0.27 0.14 -0.01 0.00 0.00 175.02 175.30 1o2f s VAL 60 N 1.18 1.64 0.03 -6.03 -7.23 0.68 -0.46 120.40 110.21 1o2f s VAL 60 Ca 0.02 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1o2f s VAL 60 Cb -0.14 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 1o2f s VAL 60 CO -0.05 0.00 1.27 0.00 -0.31 0.00 0.00 175.10 176.01 1o2f s ALA 61 N -2.77 3.48 -1.73 1.32 0.00 -0.01 -4.58 121.76 117.47 1o2f s ALA 61 Ca 0.28 0.85 0.30 0.00 0.00 0.00 0.00 51.96 53.39 1o2f s ALA 61 Cb -0.00 -3.50 1.47 0.00 0.00 0.00 0.00 23.12 21.08 1o2f s ALA 61 CO 0.17 -0.63 2.00 -0.35 0.00 0.00 0.00 175.76 176.95 1o2f n PRO 62 N 4.50 0.76 -3.70 0.00 -0.04 -1.26 -1.41 135.00 133.86 1o2f n PRO 62 Ca 0.11 -0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 1o2f n PRO 62 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1o2f n PRO 62 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1o2f s VAL 63 N -2.35 0.00 -0.21 0.52 -7.23 -1.26 -1.58 120.40 108.29 1o2f s VAL 63 Ca 0.34 -0.62 -0.26 0.00 -1.81 0.00 0.00 61.98 59.63 1o2f s VAL 63 Cb 0.21 -1.63 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 1o2f s VAL 63 CO 0.44 0.00 0.89 -1.81 -0.31 0.00 0.00 175.10 174.30 1o2f s ASP 64 N -2.85 6.96 0.00 4.85 1.01 -1.26 -3.95 116.67 121.43 1o2f s ASP 64 Ca 0.07 1.19 0.00 0.00 0.71 0.00 0.00 52.55 54.52 1o2f s ASP 64 Cb -0.04 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1o2f s ASP 64 CO -0.00 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.48 1o2f n GLY 65 N 3.52 1.54 3.05 0.21 0.00 -0.63 -0.68 105.19 112.20 1o2f n GLY 65 Ca 0.07 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1o2f n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o2f s THR 66 N -0.43 1.24 0.32 2.61 2.01 -0.50 -0.72 115.64 120.16 1o2f s THR 66 Ca 0.00 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1o2f s THR 66 Cb 0.00 -1.11 -0.11 0.00 0.01 0.00 0.00 72.50 71.29 1o2f s THR 66 CO 0.00 0.37 1.47 -0.63 -0.69 0.00 0.00 174.62 175.14 1o2f s ILE 67 N 0.53 2.32 -0.16 1.82 -1.09 0.16 -2.04 121.20 122.74 1o2f s ILE 67 Ca -0.13 0.29 -0.16 0.00 -2.23 0.00 0.00 60.65 58.42 1o2f s ILE 67 Cb -0.15 -3.19 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 1o2f s ILE 67 CO 0.04 0.06 -0.31 0.61 -1.23 0.00 0.00 174.94 174.10 1o2f n GLY 68 N 1.33 -0.52 2.99 6.18 0.00 0.53 -1.09 105.19 114.61 1o2f n GLY 68 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1o2f n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o2f s LYS 69 N -2.73 0.14 -0.16 1.61 2.20 -1.20 -4.32 119.74 115.27 1o2f s LYS 69 Ca -0.26 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1o2f s LYS 69 Cb 0.04 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 1o2f s LYS 69 CO 0.39 -0.05 -0.12 0.42 -0.36 0.00 0.00 175.35 175.62 1o2f s ILE 70 N 0.30 2.95 0.45 5.43 1.01 -1.26 -0.60 121.20 129.48 1o2f s ILE 70 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 1o2f s ILE 70 Cb -0.03 -2.27 -0.09 0.00 0.01 0.00 0.00 42.46 40.09 1o2f s ILE 70 CO -0.01 0.50 1.36 0.49 0.00 0.00 0.00 174.94 177.28 1o2f n PHE 71 N 4.02 2.42 0.23 3.97 3.01 -0.44 -4.82 117.46 125.86 1o2f n PHE 71 Ca -0.19 0.46 0.15 0.00 1.01 0.00 0.00 57.45 58.89 1o2f n PHE 71 Cb 0.52 -2.42 0.82 0.00 -0.01 0.00 0.00 39.48 38.40 1o2f n PHE 71 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1o2f h GLU 72 N 2.11 0.00 -0.29 -1.08 4.11 -1.98 0.89 114.58 118.33 1o2f h GLU 72 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1o2f h GLU 72 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1o2f h GLU 72 CO 0.60 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.93 1o2f n THR 73 N -2.56 0.38 -3.99 -1.06 -2.24 -1.26 -4.86 114.28 98.69 1o2f n THR 73 Ca -0.02 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 61.01 1o2f n THR 73 Cb 0.05 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 1o2f n THR 73 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1o2f n ASN 74 N 0.65 -0.16 0.00 3.42 4.13 0.31 -3.69 115.26 119.92 1o2f n ASN 74 Ca 0.16 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.38 1o2f n ASN 74 Cb 0.38 -2.88 0.00 0.00 -1.54 0.00 0.00 39.78 35.74 1o2f n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1o2f n HIS 75 N -4.42 0.00 -3.66 3.10 1.44 -1.26 -4.51 115.22 105.91 1o2f n HIS 75 Ca -0.31 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.26 1o2f n HIS 75 Cb 0.69 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.73 1o2f n HIS 75 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1o2f s ALA 76 N -0.09 -1.09 0.18 1.59 0.00 -1.26 -1.90 121.76 119.19 1o2f s ALA 76 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 1o2f s ALA 76 Cb 0.00 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.32 1o2f s ALA 76 CO 0.00 -0.38 0.39 -0.59 0.00 0.00 0.00 175.76 175.18 1o2f s PHE 77 N -1.87 0.17 -0.00 0.00 -0.12 -0.74 -1.32 117.98 114.10 1o2f s PHE 77 Ca -0.09 -0.53 0.08 0.00 -0.05 0.00 0.00 56.93 56.34 1o2f s PHE 77 Cb -0.02 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 1o2f s PHE 77 CO 0.02 -0.81 -0.26 0.45 -0.05 0.00 0.00 175.22 174.57 1o2f s SER 78 N -2.93 3.08 -0.02 1.98 0.15 0.23 -1.71 113.70 114.48 1o2f s SER 78 Ca 0.14 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 1o2f s SER 78 Cb 0.01 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 1o2f s SER 78 CO -0.01 0.30 0.10 -0.51 1.20 0.00 0.00 173.24 174.33 1o2f s ILE 79 N -0.67 0.04 -0.18 6.45 2.07 -1.10 0.20 121.20 128.01 1o2f s ILE 79 Ca 0.10 -0.32 -0.01 0.00 -1.41 0.00 0.00 60.65 59.01 1o2f s ILE 79 Cb -0.10 -0.26 -0.00 0.00 0.13 0.00 0.00 42.46 42.23 1o2f s ILE 79 CO -0.00 -0.18 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.13 1o2f s GLU 80 N -0.57 3.27 0.77 3.50 2.02 -0.87 -1.12 118.70 125.71 1o2f s GLU 80 Ca -0.06 -0.70 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 1o2f s GLU 80 Cb -0.04 -2.78 0.06 0.00 0.10 0.00 0.00 34.13 31.46 1o2f s GLU 80 CO 0.00 -0.09 1.09 -1.54 0.02 0.00 0.00 175.26 174.74 1o2f s SER 81 N 1.12 4.55 0.51 -0.19 1.04 0.12 -1.41 113.70 119.44 1o2f s SER 81 Ca 0.01 1.74 0.29 0.00 0.48 0.00 0.00 55.95 58.46 1o2f s SER 81 Cb -0.14 -2.46 1.29 0.00 0.10 0.00 0.00 66.02 64.80 1o2f s SER 81 CO -0.03 -1.99 1.98 0.44 0.98 0.00 0.00 173.24 174.61 1o2f h ASP 82 N -1.10 0.00 0.17 7.02 3.32 -1.25 -0.57 116.42 124.02 1o2f h ASP 82 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1o2f h ASP 82 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1o2f h ASP 82 CO 0.53 0.13 0.00 -1.54 -1.72 0.00 0.00 179.24 176.64 1o2f n SER 83 N -3.38 0.00 0.00 6.45 3.41 -1.26 -4.86 113.62 113.98 1o2f n SER 83 Ca -0.01 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1o2f n SER 83 Cb 0.32 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1o2f n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o2f n GLY 84 N 0.48 0.72 3.77 5.00 0.00 -0.22 -5.06 105.19 109.88 1o2f n GLY 84 Ca 0.14 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1o2f n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o2f s VAL 85 N -2.00 5.34 -0.27 1.61 1.01 -1.25 -4.85 120.40 119.99 1o2f s VAL 85 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1o2f s VAL 85 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1o2f s VAL 85 CO 0.00 0.47 0.24 -0.70 0.00 0.00 0.00 175.10 175.11 1o2f s GLU 86 N -0.06 3.99 0.30 2.72 2.12 -1.26 -0.70 118.70 125.81 1o2f s GLU 86 Ca 0.15 -0.21 0.09 0.00 0.36 0.00 0.00 54.97 55.35 1o2f s GLU 86 Cb -0.13 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1o2f s GLU 86 CO 0.04 -0.17 0.10 -0.51 -0.54 0.00 0.00 175.26 174.18 1o2f s LEU 87 N 1.74 3.34 -0.12 2.70 2.01 -0.27 -1.71 118.68 126.36 1o2f s LEU 87 Ca 0.09 -0.63 -0.04 0.00 0.01 0.00 0.00 54.13 53.57 1o2f s LEU 87 Cb -0.16 -1.85 0.06 0.00 0.01 0.00 0.00 46.19 44.26 1o2f s LEU 87 CO 0.10 -0.15 0.15 0.12 1.01 0.00 0.00 176.35 177.58 1o2f s PHE 88 N -2.34 -0.12 -0.23 0.29 2.19 -0.55 -2.69 117.98 114.54 1o2f s PHE 88 Ca 0.35 0.33 -0.09 0.00 0.33 0.00 0.00 56.93 57.85 1o2f s PHE 88 Cb -0.05 -0.38 -0.04 0.00 -1.31 0.00 0.00 43.02 41.24 1o2f s PHE 88 CO 0.22 -0.39 0.11 0.08 1.83 0.00 0.00 175.22 177.08 1o2f s VAL 89 N 2.26 4.90 -0.29 3.12 1.01 -0.69 -2.57 120.40 128.14 1o2f s VAL 89 Ca 0.04 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1o2f s VAL 89 Cb -0.14 -3.27 0.08 0.00 0.00 0.00 0.00 36.38 33.05 1o2f s VAL 89 CO -0.08 0.37 -0.03 -2.28 0.00 0.00 0.00 175.10 173.08 1o2f s HIS 90 N 1.06 3.35 -0.08 5.22 2.46 -0.90 -1.79 115.29 124.61 1o2f s HIS 90 Ca 0.06 -2.54 -0.30 0.00 0.47 0.00 0.00 55.06 52.75 1o2f s HIS 90 Cb -0.14 -2.29 -0.03 0.00 -0.13 0.00 0.00 32.58 29.99 1o2f s HIS 90 CO 0.04 -0.90 1.22 0.12 -2.47 0.00 0.00 174.74 172.75 1o2f s PHE 91 N 1.06 3.09 0.12 3.88 2.19 -0.80 -3.09 117.98 124.43 1o2f s PHE 91 Ca -0.00 1.15 0.00 0.00 0.33 0.00 0.00 56.93 58.41 1o2f s PHE 91 Cb -0.19 -3.45 0.00 0.00 -1.31 0.00 0.00 43.02 38.07 1o2f s PHE 91 CO -0.07 -1.45 0.00 0.41 1.83 0.00 0.00 175.22 175.94 1o2f n GLY 92 N 3.44 -1.81 3.29 13.12 0.00 -0.38 -4.56 105.19 118.28 1o2f n GLY 92 Ca 0.12 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 1o2f n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o2f s ILE 93 N -1.04 2.27 -1.69 -0.61 -1.09 -0.31 -4.60 121.20 114.12 1o2f s ILE 93 Ca 0.00 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 1o2f s ILE 93 Cb 0.00 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 1o2f s ILE 93 CO 0.00 0.56 0.00 0.47 -1.23 0.00 0.00 174.94 174.74 1o2f n ASP 94 N 3.13 -5.16 0.13 3.58 8.00 -1.26 -4.23 116.55 120.74 1o2f n ASP 94 Ca -0.18 0.18 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1o2f n ASP 94 Cb 0.52 -4.41 0.48 0.00 -0.02 0.00 0.00 41.12 37.70 1o2f n ASP 94 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1o2f n THR 95 N -3.29 0.78 0.27 -3.53 -2.24 -1.26 -2.83 114.28 102.19 1o2f n THR 95 Ca -0.21 0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1o2f n THR 95 Cb 0.64 -1.07 0.73 0.00 -2.10 0.00 0.00 70.33 68.54 1o2f n THR 95 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1o2f h VAL 96 N 0.00 0.78 0.00 2.28 -1.51 -1.91 -1.03 116.25 114.87 1o2f h VAL 96 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1o2f h VAL 96 Cb 0.43 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1o2f h VAL 96 CO 0.00 0.05 0.00 -0.62 -1.23 0.00 0.00 177.57 175.77 1o2f n GLU 97 N -4.11 0.11 0.00 5.19 1.02 -1.13 -1.33 120.64 120.38 1o2f n GLU 97 Ca -0.03 0.46 0.14 0.00 -0.02 0.00 0.00 57.16 57.72 1o2f n GLU 97 Cb 0.14 -1.76 0.64 0.00 -0.02 0.00 0.00 31.44 30.44 1o2f n GLU 97 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1o2f n LEU 98 N -1.97 0.16 -3.77 -4.62 4.32 -0.39 -4.93 117.00 105.80 1o2f n LEU 98 Ca 0.01 0.26 -0.25 0.00 -0.02 0.00 0.00 56.01 56.01 1o2f n LEU 98 Cb 0.12 -0.32 0.04 0.00 -1.62 0.00 0.00 43.42 41.64 1o2f n LEU 98 CO 0.12 0.03 0.06 0.29 -1.22 0.00 0.00 177.39 176.67 1o2f n LYS 99 N -1.29 -5.66 0.00 3.23 4.76 -0.44 -2.30 118.16 116.46 1o2f n LYS 99 Ca 0.11 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1o2f n LYS 99 Cb 0.29 -5.44 0.00 0.00 -1.84 0.00 0.00 35.03 28.04 1o2f n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1o2f n GLY 100 N -1.66 2.02 3.68 0.72 0.00 -1.24 -4.97 105.19 103.75 1o2f n GLY 100 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1o2f n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1o2f s GLU 101 N -0.36 4.18 0.00 1.61 2.12 -0.97 -2.12 118.70 123.16 1o2f s GLU 101 Ca 0.00 2.37 0.00 0.00 0.36 0.00 0.00 54.97 57.70 1o2f s GLU 101 Cb 0.00 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1o2f s GLU 101 CO 0.00 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 1o2f n GLY 102 N 4.09 0.16 3.42 -1.50 0.00 -1.26 -4.94 105.19 105.17 1o2f n GLY 102 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1o2f n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1o2f s PHE 103 N -2.03 2.29 -0.20 1.61 0.08 -0.90 -0.54 117.98 118.29 1o2f s PHE 103 Ca 0.00 -0.36 -0.04 0.00 0.12 0.00 0.00 56.93 56.65 1o2f s PHE 103 Cb 0.00 -1.13 0.08 0.00 -0.57 0.00 0.00 43.02 41.40 1o2f s PHE 103 CO 0.00 0.50 0.15 0.15 -0.10 0.00 0.00 175.22 175.92 1o2f s LYS 104 N -2.69 0.13 0.03 0.44 3.01 -0.68 -4.99 119.74 114.99 1o2f s LYS 104 Ca 0.21 -0.04 -0.30 0.00 -1.01 0.00 0.00 55.97 54.83 1o2f s LYS 104 Cb -0.08 -1.49 -0.08 0.00 -1.01 0.00 0.00 37.83 35.18 1o2f s LYS 104 CO 0.10 -0.72 1.70 -0.98 0.51 0.00 0.00 175.35 175.96 1o2f s ARG 105 N 2.21 4.18 -0.18 1.68 1.70 -1.26 -2.59 118.95 124.69 1o2f s ARG 105 Ca 0.05 2.33 0.12 0.00 -0.47 0.00 0.00 55.73 57.76 1o2f s ARG 105 Cb -0.16 -3.79 -0.19 0.00 -0.57 0.00 0.00 34.95 30.24 1o2f s ARG 105 CO -0.14 -0.80 -0.00 -0.89 -1.08 0.00 0.00 175.30 172.39 1o2f n ILE 106 N 5.05 1.18 -2.99 4.99 2.08 0.05 -4.98 119.36 124.74 1o2f n ILE 106 Ca 0.17 -0.66 -0.20 0.00 0.56 0.00 0.00 62.75 62.62 1o2f n ILE 106 Cb 0.41 -0.72 0.06 0.00 -0.75 0.00 0.00 39.64 38.64 1o2f n ILE 106 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1o2f s ALA 107 N -2.42 4.61 0.23 -1.39 0.00 -0.94 -4.99 121.76 116.86 1o2f s ALA 107 Ca -0.13 -2.04 0.12 0.00 0.00 0.00 0.00 51.96 49.90 1o2f s ALA 107 Cb 0.06 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 1o2f s ALA 107 CO 0.65 -0.83 -0.22 -1.21 0.00 0.00 0.00 175.76 174.15 1o2f s GLU 108 N -4.66 1.58 0.38 0.00 2.02 -1.26 -5.05 118.70 111.71 1o2f s GLU 108 Ca 0.61 -1.62 -0.27 0.00 0.02 0.00 0.00 54.97 53.71 1o2f s GLU 108 Cb -0.06 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 32.26 1o2f s GLU 108 CO 0.39 0.37 1.29 -1.21 0.02 0.00 0.00 175.26 176.12 1o2f s GLU 109 N -2.99 4.13 0.00 1.61 8.01 -1.26 -1.89 118.70 126.31 1o2f s GLU 109 Ca 0.24 2.15 0.00 0.00 0.01 0.00 0.00 54.97 57.38 1o2f s GLU 109 Cb -0.07 -2.87 0.00 0.00 -4.31 0.00 0.00 34.13 26.88 1o2f s GLU 109 CO 0.12 -0.36 0.00 0.41 0.01 0.00 0.00 175.26 175.44 1o2f n GLY 110 N 0.71 1.42 3.74 -1.39 0.00 -0.25 -4.99 105.19 104.43 1o2f n GLY 110 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1o2f n GLY 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1o2f s GLN 111 N -0.35 4.38 0.00 1.61 0.74 -0.79 -4.65 119.66 120.60 1o2f s GLN 111 Ca 0.00 2.09 -0.24 0.00 0.05 0.00 0.00 55.36 57.26 1o2f s GLN 111 Cb 0.00 -3.17 -0.05 0.00 1.10 0.00 0.00 33.01 30.89 1o2f s GLN 111 CO 0.00 -0.26 0.74 0.50 -0.55 0.00 0.00 175.29 175.72 1o2f s ARG 112 N -0.30 4.46 0.16 1.67 3.52 -1.26 -0.67 118.95 126.54 1o2f s ARG 112 Ca 0.56 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 57.18 1o2f s ARG 112 Cb -0.37 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 1o2f s ARG 112 CO 0.40 0.20 -0.02 0.14 -0.81 0.00 0.00 175.30 175.21 1o2f s VAL 113 N 0.26 0.77 0.27 7.11 -7.23 0.10 -4.95 120.40 116.72 1o2f s VAL 113 Ca 0.38 -1.99 0.10 0.00 -1.81 0.00 0.00 61.98 58.66 1o2f s VAL 113 Cb -0.19 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1o2f s VAL 113 CO 0.21 -0.55 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.90 1o2f s LYS 114 N -3.88 2.26 0.22 4.82 1.02 -1.26 -1.60 119.74 121.31 1o2f s LYS 114 Ca 0.22 -1.44 -0.31 0.00 0.02 0.00 0.00 55.97 54.45 1o2f s LYS 114 Cb 0.06 -2.14 -0.15 0.00 -0.52 0.00 0.00 37.83 35.08 1o2f s LYS 114 CO 0.03 0.36 1.16 0.28 -0.92 0.00 0.00 175.35 176.26 1o2f n VAL 115 N -0.88 1.23 0.00 3.17 0.31 -1.25 -1.68 118.33 119.23 1o2f n VAL 115 Ca -0.06 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1o2f n VAL 115 Cb 0.59 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1o2f n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o2f n GLY 116 N 1.80 2.52 3.75 2.92 0.00 -0.50 -4.93 105.19 110.76 1o2f n GLY 116 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1o2f n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o2f s ASP 117 N -1.65 6.43 0.20 1.61 1.11 -0.67 -4.57 116.67 119.12 1o2f s ASP 117 Ca 0.00 2.89 -0.30 0.00 0.18 0.00 0.00 52.55 55.32 1o2f s ASP 117 Cb 0.00 -2.63 -0.08 0.00 1.07 0.00 0.00 42.92 41.28 1o2f s ASP 117 CO 0.00 -0.87 1.18 -0.89 1.18 0.00 0.00 175.17 175.77 1o2f s THR 118 N 0.01 3.57 -0.12 -1.27 2.01 -1.26 -0.83 115.64 117.75 1o2f s THR 118 Ca 0.63 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.98 1o2f s THR 118 Cb -0.47 -3.86 -0.07 0.00 0.01 0.00 0.00 72.50 68.11 1o2f s THR 118 CO 0.47 0.23 -0.11 0.52 -0.69 0.00 0.00 174.62 175.04 1o2f n VAL 119 N 2.29 0.68 -3.72 3.82 0.31 0.40 -4.25 118.33 117.85 1o2f n VAL 119 Ca 0.03 -0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 63.98 1o2f n VAL 119 Cb 0.45 -1.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.28 1o2f n VAL 119 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1o2f s ILE 120 N -2.23 0.02 -0.02 2.52 1.01 -1.02 -0.77 121.20 120.70 1o2f s ILE 120 Ca -0.16 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1o2f s ILE 120 Cb 0.04 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 1o2f s ILE 120 CO 0.27 -0.08 -0.10 -1.61 0.00 0.00 0.00 174.94 173.42 1o2f s GLU 121 N -0.33 2.54 0.22 2.79 2.02 -1.07 0.22 118.70 125.08 1o2f s GLU 121 Ca -0.05 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.28 1o2f s GLU 121 Cb -0.03 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.68 1o2f s GLU 121 CO 0.02 0.62 -0.01 -0.59 0.02 0.00 0.00 175.26 175.32 1o2f s PHE 122 N -0.89 1.51 -0.62 1.61 -0.12 -0.55 -1.69 117.98 117.23 1o2f s PHE 122 Ca 0.14 -0.92 -0.14 0.00 -0.05 0.00 0.00 56.93 55.96 1o2f s PHE 122 Cb -0.11 -0.87 0.16 0.00 -0.63 0.00 0.00 43.02 41.57 1o2f s PHE 122 CO 0.04 -0.04 0.56 0.34 -0.05 0.00 0.00 175.22 176.07 1o2f s ASP 123 N -3.29 6.29 0.10 1.98 -1.08 0.30 -4.67 116.67 116.30 1o2f s ASP 123 Ca 0.27 -2.09 -0.30 0.00 -0.52 0.00 0.00 52.55 49.91 1o2f s ASP 123 Cb 0.05 -2.18 -0.11 0.00 -1.46 0.00 0.00 42.92 39.22 1o2f s ASP 123 CO 0.08 -0.75 1.61 0.25 0.52 0.00 0.00 175.17 176.88 1o2f h LEU 124 N 8.47 -0.97 -0.79 -1.34 5.85 -1.89 -1.08 115.31 123.57 1o2f h LEU 124 Ca -0.16 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.73 1o2f h LEU 124 Cb 1.08 0.35 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 1o2f h LEU 124 CO 0.93 -0.46 0.45 -0.65 -0.34 0.00 0.00 178.44 178.37 1o2f h PRO 125 N -0.64 0.76 -0.50 5.25 0.11 -1.94 0.68 132.00 135.72 1o2f h PRO 125 Ca 0.00 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.95 1o2f h PRO 125 Cb 0.63 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1o2f h PRO 125 CO -0.13 0.50 -0.13 1.25 -0.21 0.00 0.00 178.00 179.28 1o2f h LEU 126 N 0.78 0.98 -0.32 2.35 5.85 -1.95 -2.38 115.31 120.63 1o2f h LEU 126 Ca 0.37 -0.36 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1o2f h LEU 126 Cb 0.29 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1o2f h LEU 126 CO -0.22 1.12 -0.69 -0.07 -0.34 0.00 0.00 178.44 178.23 1o2f h LEU 127 N 0.83 0.74 -1.97 2.25 3.38 -0.41 -1.16 115.31 118.96 1o2f h LEU 127 Ca 0.13 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1o2f h LEU 127 Cb 0.69 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1o2f h LEU 127 CO 0.05 1.22 -0.04 -0.33 0.09 0.00 0.00 178.44 179.43 1o2f h GLU 128 N 0.45 0.00 0.10 1.13 5.08 0.48 0.54 114.58 122.36 1o2f h GLU 128 Ca -0.03 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.01 1o2f h GLU 128 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1o2f h GLU 128 CO 0.13 0.04 -1.74 1.49 -1.00 0.00 0.00 179.01 177.93 1o2f h GLU 129 N 0.00 0.21 0.00 2.33 4.81 -1.20 -3.41 114.58 117.32 1o2f h GLU 129 Ca -0.00 -0.36 -0.22 0.00 -0.13 0.00 0.00 59.36 58.64 1o2f h GLU 129 Cb 0.07 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1o2f h GLU 129 CO 0.01 1.03 -2.13 1.63 -0.73 0.00 0.00 179.01 178.81 1o2f n LYS 130 N -3.38 0.88 -2.65 1.92 4.76 -0.46 -4.97 118.16 114.25 1o2f n LYS 130 Ca -0.22 -0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 54.76 1o2f n LYS 130 Cb 1.05 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.72 1o2f n LYS 130 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1o2f s ALA 131 N -2.75 3.33 0.45 7.82 0.00 0.19 -4.91 121.76 125.89 1o2f s ALA 131 Ca -0.08 0.70 0.16 0.00 0.00 0.00 0.00 51.96 52.74 1o2f s ALA 131 Cb 0.08 -3.25 1.09 0.00 0.00 0.00 0.00 23.12 21.04 1o2f s ALA 131 CO 0.77 0.06 1.98 -0.22 0.00 0.00 0.00 175.76 178.35 1o2f h LYS 132 N 3.83 0.33 -1.67 0.00 1.63 -1.86 -3.43 116.57 115.40 1o2f h LYS 132 Ca -0.46 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.37 1o2f h LYS 132 Cb 1.20 -0.07 -0.24 0.00 -0.60 0.00 0.00 32.23 32.52 1o2f h LYS 132 CO 0.67 0.22 0.42 0.45 -3.45 0.00 0.00 179.45 177.76 1o2f s SER 133 N -6.24 -0.48 0.00 4.20 0.15 -1.26 -4.98 113.70 105.09 1o2f s SER 133 Ca -0.07 0.79 0.23 0.00 0.70 0.00 0.00 55.95 57.60 1o2f s SER 133 Cb 0.20 0.76 0.50 0.00 -1.71 0.00 0.00 66.02 65.76 1o2f s SER 133 CO 0.75 -0.25 1.43 0.35 1.20 0.00 0.00 173.24 176.72 1o2f n THR 134 N 1.75 0.37 -1.65 6.45 -2.24 -1.26 -1.16 114.28 116.53 1o2f n THR 134 Ca -0.13 -0.61 -0.47 0.00 -2.27 0.00 0.00 64.05 60.58 1o2f n THR 134 Cb 0.56 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 69.61 1o2f n THR 134 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1o2f n LEU 135 N 1.15 2.74 -4.03 3.22 4.77 -1.26 -3.48 117.00 120.11 1o2f n LEU 135 Ca 0.18 1.10 -0.31 0.00 -0.03 0.00 0.00 56.01 56.95 1o2f n LEU 135 Cb 0.53 -1.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.10 1o2f n LEU 135 CO 0.15 -0.52 -0.40 -0.89 -1.33 0.00 0.00 177.39 174.40 1o2f s THR 136 N 0.62 2.15 0.21 -5.08 2.01 -0.97 -1.26 115.64 113.33 1o2f s THR 136 Ca 0.78 -1.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 1o2f s THR 136 Cb -0.74 -2.41 -0.09 0.00 0.01 0.00 0.00 72.50 69.27 1o2f s THR 136 CO 0.42 -0.30 1.26 -2.84 -0.69 0.00 0.00 174.62 172.47 1o2f s PRO 137 N 1.04 4.44 -0.34 4.92 0.02 -1.18 -1.24 135.00 142.67 1o2f s PRO 137 Ca 0.00 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.03 1o2f s PRO 137 Cb -0.19 -3.20 0.10 0.00 0.02 0.00 0.00 34.50 31.23 1o2f s PRO 137 CO -0.07 -0.16 0.09 0.14 -0.33 0.00 0.00 177.00 176.67 1o2f s VAL 138 N -0.14 1.61 0.34 3.83 -7.23 0.12 -2.12 120.40 116.82 1o2f s VAL 138 Ca 0.54 -1.96 0.09 0.00 -1.81 0.00 0.00 61.98 58.85 1o2f s VAL 138 Cb -0.35 -2.20 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 1o2f s VAL 138 CO 0.39 -0.66 -0.05 0.68 -0.31 0.00 0.00 175.10 175.16 1o2f s VAL 139 N 1.16 2.45 -0.27 1.32 -7.23 -1.06 -1.81 120.40 114.97 1o2f s VAL 139 Ca 0.11 -2.10 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 1o2f s VAL 139 Cb -0.19 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 1o2f s VAL 139 CO -0.15 -0.21 0.17 -0.63 -0.31 0.00 0.00 175.10 173.97 1o2f s ILE 140 N -2.56 5.22 -2.39 -0.62 1.09 0.25 -1.48 121.20 120.71 1o2f s ILE 140 Ca 0.33 0.14 0.22 0.00 -1.10 0.00 0.00 60.65 60.25 1o2f s ILE 140 Cb 0.01 -3.47 0.45 0.00 -1.06 0.00 0.00 42.46 38.39 1o2f s ILE 140 CO 0.18 0.28 1.54 -1.20 -0.10 0.00 0.00 174.94 175.64 1o2f n SER 141 N 4.85 2.00 -1.59 3.58 7.64 -0.69 -2.59 113.62 126.81 1o2f n SER 141 Ca -0.14 -1.74 0.08 0.00 1.01 0.00 0.00 58.87 58.08 1o2f n SER 141 Cb 0.52 -0.10 0.36 0.00 -1.01 0.00 0.00 64.21 63.97 1o2f n SER 141 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1o2f n ASN 142 N 0.54 5.06 -0.28 6.43 4.05 -1.25 -4.77 115.26 125.03 1o2f n ASN 142 Ca 0.17 -2.78 0.20 0.00 0.45 0.00 0.00 54.58 52.62 1o2f n ASN 142 Cb 0.39 -0.62 0.37 0.00 1.23 0.00 0.00 39.78 41.16 1o2f n ASN 142 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 1o2f n MET 143 N 0.57 -0.06 0.00 1.20 2.81 -1.25 0.72 117.12 121.10 1o2f n MET 143 Ca 0.26 1.21 0.07 0.00 -1.81 0.00 0.00 57.70 57.43 1o2f n MET 143 Cb 1.03 -2.05 0.32 0.00 -0.71 0.00 0.00 33.22 31.82 1o2f n MET 143 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1o2f n ASP 144 N -5.06 0.00 -0.69 7.83 5.75 -1.26 -2.73 116.55 120.38 1o2f n ASP 144 Ca 0.26 0.35 0.06 0.00 -0.01 0.00 0.00 54.79 55.45 1o2f n ASP 144 Cb 0.86 -0.42 0.17 0.00 -1.03 0.00 0.00 41.12 40.70 1o2f n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1o2f n GLU 145 N -1.42 2.89 -5.24 0.11 1.02 0.22 -4.98 120.64 113.25 1o2f n GLU 145 Ca 0.05 -2.20 -0.31 0.00 -0.02 0.00 0.00 57.16 54.68 1o2f n GLU 145 Cb 0.14 -1.37 -0.16 0.00 -0.02 0.00 0.00 31.44 30.03 1o2f n GLU 145 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1o2f s ILE 146 N -1.32 1.98 -0.04 -3.67 -4.36 -1.11 -4.95 121.20 107.74 1o2f s ILE 146 Ca 0.27 -1.05 -0.26 0.00 -0.26 0.00 0.00 60.65 59.35 1o2f s ILE 146 Cb 0.16 -1.66 -0.21 0.00 1.25 0.00 0.00 42.46 42.00 1o2f s ILE 146 CO 0.15 0.56 1.18 0.50 0.24 0.00 0.00 174.94 177.57 1o2f h LYS 147 N 5.81 -0.02 -3.24 0.37 1.63 -1.69 -3.47 116.57 115.96 1o2f h LYS 147 Ca -0.37 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.29 1o2f h LYS 147 Cb 1.15 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.57 1o2f h LYS 147 CO 0.47 0.53 -0.39 -2.00 -3.45 0.00 0.00 179.45 174.61 1o2f s GLU 148 N -3.96 0.52 -0.25 1.90 2.12 -1.24 -4.96 118.70 112.82 1o2f s GLU 148 Ca -0.16 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.03 1o2f s GLU 148 Cb 0.01 0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.68 1o2f s GLU 148 CO 0.66 -0.12 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.98 1o2f s LEU 149 N -1.03 3.31 -0.38 2.70 0.20 -1.26 -2.03 118.68 120.19 1o2f s LEU 149 Ca -0.11 -1.26 -0.12 0.00 0.69 0.00 0.00 54.13 53.33 1o2f s LEU 149 Cb -0.05 -1.56 0.02 0.00 -0.43 0.00 0.00 46.19 44.16 1o2f s LEU 149 CO 0.02 -0.17 0.24 -0.63 -0.29 0.00 0.00 176.35 175.52 1o2f s ILE 150 N 1.15 4.84 0.10 6.68 1.01 0.55 -4.96 121.20 130.58 1o2f s ILE 150 Ca -0.06 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 1o2f s ILE 150 Cb -0.19 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.55 1o2f s ILE 150 CO -0.06 -0.23 0.91 -0.54 0.00 0.00 0.00 174.94 175.02 1o2f s LYS 151 N 1.61 4.65 0.33 2.79 1.02 -1.26 -1.46 119.74 127.42 1o2f s LYS 151 Ca 0.03 1.35 0.03 0.00 0.02 0.00 0.00 55.97 57.40 1o2f s LYS 151 Cb -0.19 -3.36 0.06 0.00 -0.52 0.00 0.00 37.83 33.82 1o2f s LYS 151 CO 0.08 0.26 0.45 1.28 -0.92 0.00 0.00 175.35 176.50 1o2f n LEU 152 N 2.68 0.00 -4.11 3.17 4.77 -0.65 -4.98 117.00 117.87 1o2f n LEU 152 Ca 0.01 -1.22 -0.10 0.00 -0.03 0.00 0.00 56.01 54.67 1o2f n LEU 152 Cb 0.49 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 1o2f n LEU 152 CO 0.50 -0.66 -0.21 -0.44 -1.33 0.00 0.00 177.39 175.24 1o2f s SER 153 N -2.95 0.21 0.00 -1.43 0.01 -1.26 -5.00 113.70 103.29 1o2f s SER 153 Ca 0.32 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1o2f s SER 153 Cb -0.02 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1o2f s SER 153 CO 0.21 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1o2f n GLY 154 N -0.16 -1.67 3.85 3.44 0.00 -1.26 -4.96 105.19 104.44 1o2f n GLY 154 Ca -0.04 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 1o2f n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o2f s SER 155 N -4.00 6.76 0.21 1.61 0.01 -1.26 -0.98 113.70 116.05 1o2f s SER 155 Ca 0.00 1.07 0.07 0.00 1.31 0.00 0.00 55.95 58.40 1o2f s SER 155 Cb 0.00 -2.28 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 1o2f s SER 155 CO 0.00 -0.00 -0.13 0.68 0.41 0.00 0.00 173.24 174.20 1o2f s VAL 156 N -1.66 1.63 -0.17 3.43 -7.23 0.12 -4.94 120.40 111.59 1o2f s VAL 156 Ca 0.44 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1o2f s VAL 156 Cb -0.13 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.76 1o2f s VAL 156 CO 0.20 -0.58 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.32 1o2f s THR 157 N -3.04 2.06 0.03 5.32 2.01 -1.26 -2.61 115.64 118.15 1o2f s THR 157 Ca 0.23 -0.95 -0.33 0.00 0.31 0.00 0.00 61.69 60.95 1o2f s THR 157 Cb 0.00 -1.85 -0.17 0.00 0.01 0.00 0.00 72.50 70.49 1o2f s THR 157 CO 0.07 0.54 0.86 0.55 -0.69 0.00 0.00 174.62 175.94 1o2f n VAL 158 N 4.51 0.26 -2.28 3.82 3.14 -1.26 -1.17 118.33 125.36 1o2f n VAL 158 Ca -0.21 -0.07 -0.20 0.00 -2.96 0.00 0.00 64.34 60.91 1o2f n VAL 158 Cb 0.50 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.26 1o2f n VAL 158 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1o2f n GLY 159 N 1.37 -0.14 2.01 7.55 0.00 0.42 -4.73 105.19 111.67 1o2f n GLY 159 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1o2f n GLY 159 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1o2f n GLU 160 N -2.88 0.00 -3.01 1.61 4.07 -0.31 -4.73 120.64 115.39 1o2f n GLU 160 Ca -0.23 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.47 1o2f n GLU 160 Cb 0.67 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 32.00 1o2f n GLU 160 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1o2f s THR 161 N -2.00 4.97 0.40 6.31 2.01 -0.99 -4.86 115.64 121.48 1o2f s THR 161 Ca 0.00 1.43 -0.26 0.00 0.31 0.00 0.00 61.69 63.17 1o2f s THR 161 Cb 0.00 -4.05 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 1o2f s THR 161 CO 0.00 0.12 1.33 -2.84 -0.69 0.00 0.00 174.62 172.53 1o2f s PRO 162 N 1.68 3.99 -0.02 4.92 0.02 -1.26 -0.48 135.00 143.83 1o2f s PRO 162 Ca 0.35 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.61 1o2f s PRO 162 Cb -0.17 -2.79 -0.05 0.00 0.02 0.00 0.00 34.50 31.52 1o2f s PRO 162 CO 0.13 -0.50 0.03 1.33 -0.33 0.00 0.00 177.00 177.67 1o2f n VAL 163 N 0.18 0.16 -3.99 3.83 0.24 0.14 -4.77 118.33 114.13 1o2f n VAL 163 Ca 0.03 -0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.12 1o2f n VAL 163 Cb 0.43 -0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 32.18 1o2f n VAL 163 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1o2f s ILE 164 N -2.13 0.12 -0.10 1.34 1.01 -1.19 -1.64 121.20 118.60 1o2f s ILE 164 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1o2f s ILE 164 Cb 0.01 -0.44 0.02 0.00 0.01 0.00 0.00 42.46 42.06 1o2f s ILE 164 CO 0.14 -0.56 -0.13 -0.13 0.00 0.00 0.00 174.94 174.26 1o2f s ARG 165 N -1.79 1.98 0.22 2.79 0.52 -0.53 -0.64 118.95 121.49 1o2f s ARG 165 Ca -0.13 -0.47 0.10 0.00 -0.52 0.00 0.00 55.73 54.72 1o2f s ARG 165 Cb -0.07 -1.75 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 1o2f s ARG 165 CO -0.02 -0.10 -0.19 0.96 0.02 0.00 0.00 175.30 175.97 1o2f s ILE 166 N 1.12 2.12 0.18 1.52 -4.36 0.27 -0.33 121.20 121.72 1o2f s ILE 166 Ca -0.05 -2.18 0.10 0.00 -0.26 0.00 0.00 60.65 58.27 1o2f s ILE 166 Cb -0.14 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1o2f s ILE 166 CO -0.03 -0.38 -0.22 -0.75 0.24 0.00 0.00 174.94 173.80 1o2f s LYS 167 N -3.23 1.40 0.00 0.37 2.20 -0.86 0.50 119.74 120.13 1o2f s LYS 167 Ca 0.23 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.39 1o2f s LYS 167 Cb -0.05 -1.64 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 1o2f s LYS 167 CO 0.10 0.35 0.00 1.17 -0.36 0.00 0.00 175.35 176.61