#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vxs n ASN 36 N 0.00 2.14 0.00 1.09 2.85 -1.26 -4.84 115.26 115.24 2vxs n ASN 36 Ca 0.00 0.94 0.05 0.00 -0.11 0.00 0.00 54.58 55.46 2vxs n ASN 36 Cb 0.00 -1.12 0.26 0.00 1.24 0.00 0.00 39.78 40.15 2vxs n ASN 36 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2vxs n PRO 37 N 5.96 0.06 -0.41 1.20 -0.04 -1.26 -2.92 135.00 137.59 2vxs n PRO 37 Ca 0.32 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.99 2vxs n PRO 37 Cb 0.12 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.17 2vxs n PRO 37 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2vxs n LYS 38 N -1.42 1.81 0.00 0.54 2.85 -1.26 -1.31 118.16 119.37 2vxs n LYS 38 Ca 0.04 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.17 2vxs n LYS 38 Cb 0.12 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 2vxs n LYS 38 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2vxs n ARG 39 N 0.01 0.11 -0.05 -1.58 1.85 -1.15 -4.69 116.66 111.17 2vxs n ARG 39 Ca 0.18 -0.50 -0.06 0.00 -1.00 0.00 0.00 57.85 56.47 2vxs n ARG 39 Cb 0.81 -0.52 -0.06 0.00 -1.05 0.00 0.00 32.46 31.64 2vxs n ARG 39 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2vxs n SER 40 N -0.02 2.93 -3.98 2.89 7.64 -0.99 -5.06 113.62 117.02 2vxs n SER 40 Ca 0.00 -0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.75 2vxs n SER 40 Cb 0.47 0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 63.86 2vxs n SER 40 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2vxs s SER 41 N -4.58 0.34 -0.01 6.43 0.15 -0.42 -5.03 113.70 110.57 2vxs s SER 41 Ca -0.10 -0.45 0.13 0.00 0.70 0.00 0.00 55.95 56.24 2vxs s SER 41 Cb 0.03 0.07 -0.18 0.00 -1.71 0.00 0.00 66.02 64.23 2vxs s SER 41 CO 0.32 -0.24 0.38 -0.67 1.20 0.00 0.00 173.24 174.23 2vxs n ASP 42 N 1.76 1.51 -0.29 5.45 4.64 -1.26 -4.34 116.55 124.02 2vxs n ASP 42 Ca -0.22 -0.27 0.24 0.00 -1.38 0.00 0.00 54.79 53.16 2vxs n ASP 42 Cb 0.56 1.41 0.56 0.00 -1.04 0.00 0.00 41.12 42.61 2vxs n ASP 42 CO 0.00 0.00 0.00 1.88 -0.82 0.00 0.00 177.20 178.26 2vxs h TYR 43 N 0.00 0.47 -1.02 -0.67 0.99 -1.96 -0.97 116.97 113.82 2vxs h TYR 43 Ca 0.00 0.02 0.25 0.00 2.00 0.00 0.00 58.73 61.00 2vxs h TYR 43 Cb 0.51 -0.14 -0.11 0.00 1.00 0.00 0.00 36.73 37.99 2vxs h TYR 43 CO 0.00 0.07 0.63 0.10 -0.00 0.00 0.00 178.16 178.96 2vxs h TYR 44 N 0.30 0.86 0.00 4.88 -0.00 -1.88 -1.14 116.97 119.98 2vxs h TYR 44 Ca 0.54 0.03 -0.14 0.00 -0.00 0.00 0.00 58.73 59.16 2vxs h TYR 44 Cb 1.55 -0.25 -0.03 0.00 -0.00 0.00 0.00 36.73 38.00 2vxs h TYR 44 CO -0.00 0.08 -1.62 0.09 -0.00 0.00 0.00 178.16 176.71 2vxs n ASN 45 N -4.76 0.56 -0.09 0.10 3.02 -0.37 -2.32 115.26 111.39 2vxs n ASN 45 Ca 0.26 0.24 0.12 0.00 -0.03 0.00 0.00 54.58 55.16 2vxs n ASN 45 Cb 0.79 0.69 0.17 0.00 -0.61 0.00 0.00 39.78 40.82 2vxs n ASN 45 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2vxs n ARG 46 N -2.71 0.27 -2.54 3.52 1.74 -0.86 -4.92 116.66 111.16 2vxs n ARG 46 Ca -0.11 -0.18 -0.35 0.00 -0.77 0.00 0.00 57.85 56.44 2vxs n ARG 46 Cb 0.79 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.70 2vxs n ARG 46 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2vxs s SER 47 N -2.86 6.43 0.05 0.55 0.15 -0.49 -4.91 113.70 112.62 2vxs s SER 47 Ca 0.14 1.96 0.16 0.00 0.70 0.00 0.00 55.95 58.91 2vxs s SER 47 Cb 0.18 -2.57 0.69 0.00 -1.71 0.00 0.00 66.02 62.61 2vxs s SER 47 CO 0.69 -0.72 1.51 0.35 1.20 0.00 0.00 173.24 176.28 2vxs n THR 48 N -0.76 0.96 -3.38 6.45 -2.24 -1.26 -3.21 114.28 110.84 2vxs n THR 48 Ca 0.08 0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.84 2vxs n THR 48 Cb 0.52 -1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 2vxs n THR 48 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2vxs n SER 49 N -1.64 2.60 -4.78 3.42 3.41 -1.26 -0.75 113.62 114.62 2vxs n SER 49 Ca 0.03 -3.19 -0.33 0.00 -0.26 0.00 0.00 58.87 55.12 2vxs n SER 49 Cb 0.18 -0.66 0.03 0.00 -0.26 0.00 0.00 64.21 63.49 2vxs n SER 49 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2vxs s PRO 50 N -1.99 3.09 0.08 4.33 0.04 -1.20 -4.43 135.00 134.93 2vxs s PRO 50 Ca 0.38 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.79 2vxs s PRO 50 Cb 0.14 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2vxs s PRO 50 CO -0.05 -1.01 -0.08 1.67 0.04 0.00 0.00 177.00 177.57 2vxs s TRP 51 N -2.29 0.88 0.42 0.56 -2.14 -0.98 -1.07 118.94 114.31 2vxs s TRP 51 Ca 0.66 -0.73 0.03 0.00 2.66 0.00 0.00 56.10 58.72 2vxs s TRP 51 Cb -0.19 -0.51 -0.00 0.00 -3.10 0.00 0.00 33.47 29.67 2vxs s TRP 51 CO 0.37 -0.09 0.61 -0.80 -2.66 0.00 0.00 176.95 174.38 2vxs s ASN 52 N -2.50 5.83 -0.08 -2.66 0.01 0.38 -4.70 114.94 111.23 2vxs s ASN 52 Ca 0.04 0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.33 2vxs s ASN 52 Cb -0.01 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.28 2vxs s ASN 52 CO -0.02 -0.65 -0.24 -0.76 -1.51 0.00 0.00 177.10 173.92 2vxs s LEU 53 N -4.44 2.12 -0.15 0.60 1.43 -1.26 -1.07 118.68 115.91 2vxs s LEU 53 Ca 0.48 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2vxs s LEU 53 Cb -0.10 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.72 2vxs s LEU 53 CO 0.36 0.21 -0.18 -1.00 0.23 0.00 0.00 176.35 175.96 2vxs s HIS 54 N 0.07 2.73 -0.67 0.29 3.76 -0.05 -4.96 115.29 116.46 2vxs s HIS 54 Ca -0.10 -1.15 -0.27 0.00 -0.15 0.00 0.00 55.06 53.38 2vxs s HIS 54 Cb -0.16 -1.85 0.01 0.00 1.11 0.00 0.00 32.58 31.69 2vxs s HIS 54 CO 0.06 -0.52 1.55 0.50 -0.85 0.00 0.00 174.74 175.48 2vxs s ARG 55 N 0.78 2.95 -0.66 1.40 3.52 -1.26 -1.99 118.95 123.70 2vxs s ARG 55 Ca -0.07 0.20 -0.19 0.00 -0.13 0.00 0.00 55.73 55.54 2vxs s ARG 55 Cb -0.16 -4.27 0.11 0.00 -1.56 0.00 0.00 34.95 29.08 2vxs s ARG 55 CO -0.00 -2.39 0.80 1.21 -0.81 0.00 0.00 175.30 174.11 2vxs s ASN 56 N 5.74 6.27 -0.06 -2.12 3.04 -0.25 -5.01 114.94 122.55 2vxs s ASN 56 Ca 0.51 -1.53 -0.08 0.00 0.04 0.00 0.00 52.86 51.80 2vxs s ASN 56 Cb -0.10 -2.33 -0.05 0.00 -1.54 0.00 0.00 41.25 37.24 2vxs s ASN 56 CO 0.18 -1.13 0.23 -0.70 -3.04 0.00 0.00 177.10 172.65 2vxs s GLU 57 N 2.73 3.57 -0.16 0.43 2.12 -1.26 -1.56 118.70 124.57 2vxs s GLU 57 Ca 0.16 -0.02 -0.04 0.00 0.36 0.00 0.00 54.97 55.42 2vxs s GLU 57 Cb -0.20 -3.16 0.06 0.00 0.26 0.00 0.00 34.13 31.09 2vxs s GLU 57 CO 0.04 0.72 0.08 0.34 -0.54 0.00 0.00 175.26 175.90 2vxs s ASP 58 N -1.27 2.31 0.00 -1.70 -1.08 -0.47 -5.01 116.67 109.45 2vxs s ASP 58 Ca 0.21 -0.57 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 2vxs s ASP 58 Cb -0.13 -0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.03 2vxs s ASP 58 CO 0.10 -0.33 0.12 -2.65 0.52 0.00 0.00 175.17 172.93 2vxs n PRO 59 N 5.24 0.00 -3.54 4.34 -0.01 -1.26 -3.45 135.00 136.32 2vxs n PRO 59 Ca -0.07 0.12 -0.42 0.00 -0.01 0.00 0.00 63.50 63.13 2vxs n PRO 59 Cb 0.49 -0.28 -0.10 0.00 -0.01 0.00 0.00 33.50 33.60 2vxs n PRO 59 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 175.50 173.66 2vxs s GLU 60 N -0.80 2.78 -0.24 -0.52 4.04 -1.26 -4.93 118.70 117.77 2vxs s GLU 60 Ca 0.00 -1.30 -0.27 0.00 0.04 0.00 0.00 54.97 53.45 2vxs s GLU 60 Cb 0.00 -3.87 0.12 0.00 0.02 0.00 0.00 34.13 30.40 2vxs s GLU 60 CO 0.00 -0.89 0.99 0.50 -1.84 0.00 0.00 175.26 174.03 2vxs s ARG 61 N 1.53 0.57 -0.14 -4.83 3.00 -1.22 -5.05 118.95 112.81 2vxs s ARG 61 Ca 0.03 0.49 -0.00 0.00 -1.00 0.00 0.00 55.73 55.25 2vxs s ARG 61 Cb -0.22 0.27 0.03 0.00 0.00 0.00 0.00 34.95 35.03 2vxs s ARG 61 CO 0.05 -0.10 -0.11 -0.47 0.00 0.00 0.00 175.30 174.67 2vxs s TYR 62 N -0.16 1.88 0.21 5.12 5.04 -1.26 -1.17 117.35 127.01 2vxs s TYR 62 Ca 0.01 -1.04 -0.29 0.00 -2.44 0.00 0.00 57.07 53.31 2vxs s TYR 62 Cb -0.04 -1.44 -0.08 0.00 0.35 0.00 0.00 41.96 40.75 2vxs s TYR 62 CO -0.03 -0.61 0.90 -1.25 -1.34 0.00 0.00 175.55 173.22 2vxs s PRO 63 N 1.58 4.78 0.33 4.97 0.04 -1.26 -1.80 135.00 143.64 2vxs s PRO 63 Ca 0.04 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2vxs s PRO 63 Cb -0.13 -3.29 0.55 0.00 0.04 0.00 0.00 34.50 31.67 2vxs s PRO 63 CO -0.09 0.50 1.99 0.66 0.04 0.00 0.00 177.00 180.09 2vxs h SER 64 N 4.35 0.82 -3.62 6.66 4.64 -1.41 -3.39 113.55 121.60 2vxs h SER 64 Ca -0.45 -0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.17 2vxs h SER 64 Cb 1.20 -0.21 -0.24 0.00 -0.31 0.00 0.00 62.40 62.84 2vxs h SER 64 CO 0.68 0.60 -0.61 -0.69 -0.87 0.00 0.00 176.83 175.94 2vxs s VAL 65 N -5.80 4.20 0.02 0.95 1.01 -1.26 -1.36 120.40 118.15 2vxs s VAL 65 Ca -0.11 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.45 2vxs s VAL 65 Cb 0.18 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2vxs s VAL 65 CO 0.78 0.13 -0.25 0.27 0.00 0.00 0.00 175.10 176.03 2vxs s ILE 66 N 1.55 2.23 -0.27 2.22 -4.36 -0.60 -5.01 121.20 116.96 2vxs s ILE 66 Ca 0.04 -1.24 -0.08 0.00 -0.26 0.00 0.00 60.65 59.11 2vxs s ILE 66 Cb -0.17 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 2vxs s ILE 66 CO 0.04 0.45 0.09 0.26 0.24 0.00 0.00 174.94 176.02 2vxs s TRP 67 N -0.75 3.12 0.16 1.37 0.52 -1.26 -1.09 118.94 121.01 2vxs s TRP 67 Ca 0.11 -0.53 -0.13 0.00 0.02 0.00 0.00 56.10 55.57 2vxs s TRP 67 Cb -0.10 -2.27 -0.07 0.00 -1.15 0.00 0.00 33.47 29.88 2vxs s TRP 67 CO 0.01 -0.41 0.53 -1.21 0.02 0.00 0.00 176.95 175.89 2vxs s GLU 68 N 1.60 3.91 0.15 4.98 2.02 -0.84 -4.86 118.70 125.66 2vxs s GLU 68 Ca 0.05 0.40 -0.06 0.00 0.02 0.00 0.00 54.97 55.38 2vxs s GLU 68 Cb -0.16 -2.87 -0.06 0.00 0.10 0.00 0.00 34.13 31.14 2vxs s GLU 68 CO 0.04 0.45 0.41 0.00 0.02 0.00 0.00 175.26 176.18 2vxs s ALA 69 N -1.54 3.75 -0.18 5.21 0.00 0.30 -0.87 121.76 128.42 2vxs s ALA 69 Ca 0.40 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 2vxs s ALA 69 Cb -0.14 -2.19 0.09 0.00 0.00 0.00 0.00 23.12 20.87 2vxs s ALA 69 CO 0.20 0.63 0.25 0.21 0.00 0.00 0.00 175.76 177.05 2vxs s LYS 70 N -2.62 0.19 0.27 0.00 2.47 -0.23 -4.70 119.74 115.11 2vxs s LYS 70 Ca 0.41 0.43 -0.30 0.00 -1.56 0.00 0.00 55.97 54.95 2vxs s LYS 70 Cb -0.12 -0.72 -0.13 0.00 -1.46 0.00 0.00 37.83 35.40 2vxs s LYS 70 CO 0.23 -0.53 1.41 0.00 0.16 0.00 0.00 175.35 176.63 2vxs h ARG 72 N 3.97 0.21 -5.02 0.00 3.08 -1.43 -3.45 114.38 111.73 2vxs h ARG 72 Ca -0.45 -0.18 -0.32 0.00 0.07 0.00 0.00 59.98 59.09 2vxs h ARG 72 Cb 1.27 0.04 -0.16 0.00 0.08 0.00 0.00 29.97 31.20 2vxs h ARG 72 CO 0.74 0.86 -0.72 -1.01 -1.07 0.00 0.00 179.97 178.76 2vxs s HIS 73 N -3.49 1.17 0.02 3.04 3.76 -1.26 -5.05 115.29 113.48 2vxs s HIS 73 Ca -0.03 -0.72 -0.22 0.00 -0.15 0.00 0.00 55.06 53.93 2vxs s HIS 73 Cb 0.11 -0.62 -0.17 0.00 1.11 0.00 0.00 32.58 33.02 2vxs s HIS 73 CO 0.81 0.04 1.29 1.25 -0.85 0.00 0.00 174.74 177.28 2vxs h LEU 74 N 3.11 0.29 0.00 0.89 5.85 -1.91 -3.38 115.31 120.17 2vxs h LEU 74 Ca -0.37 -0.52 -0.21 0.00 0.84 0.00 0.00 57.88 57.62 2vxs h LEU 74 Cb 1.19 -0.08 0.09 0.00 0.37 0.00 0.00 40.66 42.23 2vxs h LEU 74 CO 0.59 0.75 0.18 0.61 -0.34 0.00 0.00 178.44 180.23 2vxs n GLY 75 N 0.30 -1.63 3.68 3.75 0.00 -1.26 -0.86 105.19 109.17 2vxs n GLY 75 Ca -0.07 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 2vxs n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxs s ILE 77 N -2.46 5.03 0.44 0.00 -5.25 0.07 0.25 121.20 119.28 2vxs s ILE 77 Ca 0.36 0.53 0.04 0.00 -0.99 0.00 0.00 60.65 60.59 2vxs s ILE 77 Cb -0.02 -3.67 0.04 0.00 2.95 0.00 0.00 42.46 41.76 2vxs s ILE 77 CO 0.21 0.25 0.32 -0.46 -1.79 0.00 0.00 174.94 173.47 2vxs n ASN 78 N 0.81 2.41 -0.23 4.36 0.23 -0.34 -4.78 115.26 117.73 2vxs n ASN 78 Ca -0.07 -2.51 -0.05 0.00 -0.53 0.00 0.00 54.58 51.42 2vxs n ASN 78 Cb 0.52 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.15 2vxs n ASN 78 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vxs n ALA 79 N -2.08 -0.30 0.29 -2.53 0.00 -1.26 -0.00 120.51 114.62 2vxs n ALA 79 Ca -0.14 0.48 0.18 0.00 0.00 0.00 0.00 53.44 53.96 2vxs n ALA 79 Cb 0.50 -0.10 0.84 0.00 0.00 0.00 0.00 19.45 20.68 2vxs n ALA 79 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vxs h ASP 80 N 0.00 0.00 0.00 0.00 3.32 -2.04 -3.45 116.42 114.25 2vxs h ASP 80 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2vxs h ASP 80 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2vxs h ASP 80 CO -0.52 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 177.64 2vxs n GLY 81 N -0.39 0.86 3.94 2.75 0.00 1.00 -5.10 105.19 108.25 2vxs n GLY 81 Ca -0.01 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 2vxs n GLY 81 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vxs s ASN 82 N -2.47 6.24 0.13 1.61 0.01 -1.26 -4.81 114.94 114.40 2vxs s ASN 82 Ca 0.00 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.93 2vxs s ASN 82 Cb 0.00 -1.83 -0.07 0.00 0.41 0.00 0.00 41.25 39.76 2vxs s ASN 82 CO 0.00 -0.01 1.06 -0.69 -1.51 0.00 0.00 177.10 175.94 2vxs s VAL 83 N -1.88 4.16 -0.16 1.60 1.01 -1.26 -1.20 120.40 122.66 2vxs s VAL 83 Ca 0.34 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.10 2vxs s VAL 83 Cb -0.10 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2vxs s VAL 83 CO 0.28 0.27 -0.11 -0.62 0.00 0.00 0.00 175.10 174.92 2vxs s ASP 84 N 0.10 2.84 -0.09 3.32 -1.08 0.14 -4.94 116.67 116.96 2vxs s ASP 84 Ca 0.50 -0.60 0.12 0.00 -0.52 0.00 0.00 52.55 52.04 2vxs s ASP 84 Cb -0.27 -1.11 0.50 0.00 -1.46 0.00 0.00 42.92 40.58 2vxs s ASP 84 CO 0.32 -0.11 1.34 -1.22 0.52 0.00 0.00 175.17 176.03 2vxs n TYR 85 N 4.79 1.07 0.98 -5.34 4.01 -1.26 -2.03 117.16 119.37 2vxs n TYR 85 Ca -0.15 -0.42 0.13 0.00 -0.16 0.00 0.00 57.90 57.30 2vxs n TYR 85 Cb 0.49 -0.21 0.58 0.00 -0.31 0.00 0.00 39.34 39.88 2vxs n TYR 85 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2vxs n HIS 86 N 0.64 0.00 -4.29 -0.72 8.25 -1.26 -4.86 115.22 112.99 2vxs n HIS 86 Ca 0.18 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.48 2vxs n HIS 86 Cb 0.68 -0.45 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 2vxs n HIS 86 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2vxs s MET 87 N -2.89 1.37 -0.01 -0.41 -1.94 -1.18 -4.49 119.30 109.75 2vxs s MET 87 Ca 0.16 -1.74 0.04 0.00 -1.71 0.00 0.00 55.69 52.44 2vxs s MET 87 Cb 0.17 -0.09 -0.01 0.00 2.01 0.00 0.00 34.83 36.91 2vxs s MET 87 CO 0.45 -0.34 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.18 2vxs s ASN 88 N -3.28 1.68 -0.06 3.03 0.02 -0.82 -3.89 114.94 111.63 2vxs s ASN 88 Ca 0.38 -0.26 -0.30 0.00 -1.02 0.00 0.00 52.86 51.66 2vxs s ASN 88 Cb 0.07 -0.22 -0.02 0.00 0.02 0.00 0.00 41.25 41.10 2vxs s ASN 88 CO 0.14 0.17 1.00 -0.44 0.02 0.00 0.00 177.10 177.99 2vxs s SER 89 N -0.27 7.29 0.06 -1.22 0.01 -0.04 -0.40 113.70 119.13 2vxs s SER 89 Ca 0.04 1.60 0.05 0.00 1.31 0.00 0.00 55.95 58.95 2vxs s SER 89 Cb -0.06 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 2vxs s SER 89 CO -0.00 -0.38 -0.13 0.68 0.41 0.00 0.00 173.24 173.82 2vxs s VAL 90 N 1.59 1.03 0.37 3.43 -7.23 0.29 -4.86 120.40 115.02 2vxs s VAL 90 Ca 0.50 -1.19 -0.26 0.00 -1.81 0.00 0.00 61.98 59.22 2vxs s VAL 90 Cb -0.20 -0.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 2vxs s VAL 90 CO 0.22 -0.18 1.17 -2.16 -0.31 0.00 0.00 175.10 173.84 2vxs s PRO 91 N -1.55 4.23 -0.22 4.82 0.04 -1.26 -0.70 135.00 140.35 2vxs s PRO 91 Ca -0.02 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 2vxs s PRO 91 Cb -0.09 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 2vxs s PRO 91 CO 0.02 -0.18 0.13 0.42 0.04 0.00 0.00 177.00 177.42 2vxs s ILE 92 N -1.34 5.14 -0.17 0.56 1.01 0.14 -4.82 121.20 121.73 2vxs s ILE 92 Ca 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 2vxs s ILE 92 Cb -0.32 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2vxs s ILE 92 CO 0.40 0.38 -0.04 -1.10 0.00 0.00 0.00 174.94 174.59 2vxs s GLN 93 N 0.85 3.62 -0.10 2.79 -0.21 -1.26 -1.17 119.66 124.18 2vxs s GLN 93 Ca 0.06 -0.54 -0.01 0.00 0.02 0.00 0.00 55.36 54.90 2vxs s GLN 93 Cb -0.13 -2.94 -0.03 0.00 1.00 0.00 0.00 33.01 30.92 2vxs s GLN 93 CO 0.03 0.17 -0.05 -1.14 -2.12 0.00 0.00 175.29 172.17 2vxs s GLN 94 N 0.56 3.09 -0.56 2.91 2.00 -0.14 -4.96 119.66 122.56 2vxs s GLN 94 Ca -0.03 -0.53 -0.24 0.00 -2.00 0.00 0.00 55.36 52.56 2vxs s GLN 94 Cb -0.14 -2.71 0.04 0.00 0.80 0.00 0.00 33.01 31.00 2vxs s GLN 94 CO 0.03 0.52 0.95 -2.00 -0.50 0.00 0.00 175.29 174.28 2vxs s GLU 95 N -0.41 3.32 0.04 1.67 2.12 -1.26 -1.80 118.70 122.38 2vxs s GLU 95 Ca 0.06 -0.29 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 2vxs s GLU 95 Cb -0.12 -4.06 -0.05 0.00 0.26 0.00 0.00 34.13 30.16 2vxs s GLU 95 CO 0.02 -1.51 0.26 -1.50 -0.54 0.00 0.00 175.26 171.99 2vxs s ILE 96 N 3.98 5.32 -0.19 -3.70 1.10 -0.62 -4.96 121.20 122.14 2vxs s ILE 96 Ca 0.30 -0.07 -0.07 0.00 -0.51 0.00 0.00 60.65 60.30 2vxs s ILE 96 Cb -0.13 -3.59 -0.04 0.00 0.15 0.00 0.00 42.46 38.86 2vxs s ILE 96 CO 0.19 0.24 0.06 -1.48 -2.11 0.00 0.00 174.94 171.83 2vxs s LEU 97 N -2.16 3.75 0.00 8.50 0.05 -1.26 -1.81 118.68 125.75 2vxs s LEU 97 Ca 0.32 0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.54 2vxs s LEU 97 Cb -0.13 -1.95 0.00 0.00 -2.05 0.00 0.00 46.19 42.06 2vxs s LEU 97 CO 0.21 0.15 0.00 1.33 -0.55 0.00 0.00 176.35 177.50 2vxs n VAL 98 N 3.68 0.00 -3.94 1.48 0.24 -0.82 -4.91 118.33 114.06 2vxs n VAL 98 Ca -0.16 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 2vxs n VAL 98 Cb 0.52 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 2vxs n VAL 98 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2vxs s LEU 99 N 0.00 0.19 0.00 1.34 0.05 -0.74 -1.11 118.68 118.41 2vxs s LEU 99 Ca 0.00 -0.96 0.00 0.00 0.05 0.00 0.00 54.13 53.22 2vxs s LEU 99 Cb 0.00 2.20 0.00 0.00 -2.05 0.00 0.00 46.19 46.34 2vxs s LEU 99 CO 0.00 -1.33 0.00 -1.54 -0.55 0.00 0.00 176.35 172.93 2vxs n SER 109 N -0.74 -0.39 0.00 1.48 3.41 -1.26 -4.47 113.62 111.66 2vxs n SER 109 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2vxs n SER 109 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2vxs n SER 109 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vxs n PHE 110 N 0.00 0.00 -2.96 7.33 3.72 -1.26 -5.19 117.46 119.10 2vxs n PHE 110 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2vxs n PHE 110 Cb 0.00 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2vxs n PHE 110 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2vxs n ARG 111 N 0.00 0.63 -3.19 -1.08 3.00 -1.26 -5.12 116.66 109.64 2vxs n ARG 111 Ca 0.00 -2.26 -0.26 0.00 -0.00 0.00 0.00 57.85 55.32 2vxs n ARG 111 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 32.46 32.22 2vxs n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2vxs s LEU 112 N 0.00 3.94 0.14 6.15 0.20 -1.26 -4.42 118.68 123.42 2vxs s LEU 112 Ca 0.45 0.66 -0.03 0.00 0.69 0.00 0.00 54.13 55.91 2vxs s LEU 112 Cb -0.03 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.16 2vxs s LEU 112 CO 0.29 -0.33 0.12 -1.61 -0.29 0.00 0.00 176.35 174.53 2vxs s GLU 113 N -4.13 0.98 -0.22 1.98 2.02 -0.27 -4.90 118.70 114.16 2vxs s GLU 113 Ca 0.43 -1.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 2vxs s GLU 113 Cb -0.10 0.28 0.07 0.00 0.10 0.00 0.00 34.13 34.48 2vxs s GLU 113 CO 0.36 -0.30 0.03 0.21 0.02 0.00 0.00 175.26 175.58 2vxs s LYS 114 N -4.02 0.79 0.19 1.61 2.20 -1.26 -1.95 119.74 117.30 2vxs s LYS 114 Ca 0.22 -0.61 0.10 0.00 -0.36 0.00 0.00 55.97 55.31 2vxs s LYS 114 Cb 0.06 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 2vxs s LYS 114 CO 0.01 -0.70 -0.20 0.96 -0.36 0.00 0.00 175.35 175.06 2vxs s ILE 115 N 1.76 2.01 -0.25 5.43 -4.36 -0.75 -5.00 121.20 120.04 2vxs s ILE 115 Ca 0.00 -2.01 -0.07 0.00 -0.26 0.00 0.00 60.65 58.32 2vxs s ILE 115 Cb -0.17 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 2vxs s ILE 115 CO -0.11 -0.29 0.05 -0.76 0.24 0.00 0.00 174.94 174.07 2vxs s LEU 116 N -2.78 3.38 0.19 0.37 1.43 -1.26 -1.59 118.68 118.42 2vxs s LEU 116 Ca 0.19 -0.29 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 2vxs s LEU 116 Cb -0.06 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2vxs s LEU 116 CO 0.08 -0.05 -0.22 0.68 0.23 0.00 0.00 176.35 177.07 2vxs s VAL 117 N 1.58 2.20 -0.23 -1.59 -7.23 -0.75 -4.98 120.40 109.40 2vxs s VAL 117 Ca 0.06 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 2vxs s VAL 117 Cb -0.15 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 2vxs s VAL 117 CO 0.02 -0.19 0.49 -0.44 -0.31 0.00 0.00 175.10 174.66 2vxs s SER 118 N -2.72 6.47 0.12 4.85 0.01 -1.26 -0.96 113.70 120.21 2vxs s SER 118 Ca 0.20 0.57 0.20 0.00 1.31 0.00 0.00 55.95 58.23 2vxs s SER 118 Cb -0.07 -2.27 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 2vxs s SER 118 CO 0.09 -0.20 0.87 0.52 0.41 0.00 0.00 173.24 174.94 2vxs n VAL 119 N 4.75 0.77 0.00 3.43 0.31 -0.32 -0.54 118.33 126.73 2vxs n VAL 119 Ca -0.05 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2vxs n VAL 119 Cb 0.50 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 2vxs n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vxs n GLY 120 N 1.28 -0.63 3.56 2.92 0.00 -1.25 -4.79 105.19 106.28 2vxs n GLY 120 Ca -0.05 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 2vxs n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vxs s THR 122 N -1.04 1.91 -0.25 0.00 -1.32 0.12 -4.78 115.64 110.27 2vxs s THR 122 Ca 0.18 -1.83 -0.03 0.00 -1.21 0.00 0.00 61.69 58.80 2vxs s THR 122 Cb -0.11 -2.74 0.02 0.00 -1.51 0.00 0.00 72.50 68.16 2vxs s THR 122 CO 0.09 0.00 -0.03 0.00 -2.21 0.00 0.00 174.62 172.47 2vxs s VAL 124 N 1.37 5.32 0.02 0.00 -7.23 0.46 -4.92 120.40 115.43 2vxs s VAL 124 Ca 0.01 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.16 2vxs s VAL 124 Cb -0.16 -3.59 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 2vxs s VAL 124 CO -0.03 0.23 -0.13 0.28 -0.31 0.00 0.00 175.10 175.14 2vxs s THR 125 N -1.43 1.05 -0.67 5.32 -1.32 -1.26 -1.95 115.64 115.37 2vxs s THR 125 Ca 0.32 -0.81 0.23 0.00 -1.21 0.00 0.00 61.69 60.22 2vxs s THR 125 Cb -0.13 -0.92 0.23 0.00 -1.51 0.00 0.00 72.50 70.17 2vxs s THR 125 CO 0.21 0.11 1.70 -0.81 -2.21 0.00 0.00 174.62 173.63 2vxs n PRO 126 N 2.25 0.16 -3.21 7.08 -0.04 -1.26 -4.72 135.00 135.26 2vxs n PRO 126 Ca -0.16 0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 2vxs n PRO 126 Cb 0.55 -1.76 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 2vxs n PRO 126 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2vxs s ILE 127 N -3.19 5.00 -0.19 0.52 -1.09 -1.26 -5.05 121.20 115.94 2vxs s ILE 127 Ca 0.07 0.47 0.00 0.00 -2.23 0.00 0.00 60.65 58.97 2vxs s ILE 127 Cb 0.11 -3.97 0.05 0.00 -1.58 0.00 0.00 42.46 37.07 2vxs s ILE 127 CO 0.43 -0.19 -0.07 0.68 -1.23 0.00 0.00 174.94 174.56 2vxs s VAL 128 N 2.45 1.38 -2.00 2.92 -7.23 -1.26 -5.22 120.40 111.44 2vxs s VAL 128 Ca 0.20 -0.89 0.15 0.00 -1.81 0.00 0.00 61.98 59.63 2vxs s VAL 128 Cb -0.15 -1.55 0.43 0.00 0.56 0.00 0.00 36.38 35.67 2vxs s VAL 128 CO 0.13 0.09 1.31 0.00 -0.31 0.00 0.00 175.10 176.33