#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcv s GLN 2 N 0.00 1.33 0.13 5.55 -0.21 -1.26 -1.50 119.66 123.70 1jcv s GLN 2 Ca 0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 55.36 54.40 1jcv s GLN 2 Cb 0.00 -1.45 -0.03 0.00 1.00 0.00 0.00 33.01 32.54 1jcv s GLN 2 CO 0.00 0.37 0.12 0.00 -2.12 0.00 0.00 175.29 173.66 1jcv s ALA 3 N -0.83 0.48 -0.12 6.09 0.00 -0.46 -1.18 121.76 125.75 1jcv s ALA 3 Ca 0.07 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1jcv s ALA 3 Cb -0.09 0.76 0.06 0.00 0.00 0.00 0.00 23.12 23.85 1jcv s ALA 3 CO 0.02 -0.52 0.58 0.54 0.00 0.00 0.00 175.76 176.37 1jcv s VAL 4 N -3.99 0.01 -0.07 0.00 0.11 -0.12 -0.75 120.40 115.60 1jcv s VAL 4 Ca 0.18 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1jcv s VAL 4 Cb 0.06 -0.86 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 1jcv s VAL 4 CO -0.01 -0.05 -0.13 0.00 -3.33 0.00 0.00 175.10 171.58 1jcv s ALA 5 N -0.57 1.31 -0.36 1.54 0.00 0.38 -0.97 121.76 123.08 1jcv s ALA 5 Ca -0.07 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 1jcv s ALA 5 Cb -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.51 1jcv s ALA 5 CO 0.05 0.11 0.23 0.08 0.00 0.00 0.00 175.76 176.24 1jcv s VAL 6 N 0.66 5.00 -0.14 0.00 1.01 -1.26 -0.69 120.40 124.98 1jcv s VAL 6 Ca -0.15 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 1jcv s VAL 6 Cb -0.16 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1jcv s VAL 6 CO 0.04 -0.13 0.90 -0.76 0.00 0.00 0.00 175.10 175.14 1jcv s LEU 7 N 1.65 4.20 0.07 3.92 1.43 0.54 -3.93 118.68 126.57 1jcv s LEU 7 Ca 0.05 1.31 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1jcv s LEU 7 Cb -0.18 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1jcv s LEU 7 CO 0.09 -0.41 -0.06 -0.54 0.23 0.00 0.00 176.35 175.65 1jcv s LYS 8 N 2.08 0.70 0.02 1.70 1.02 -0.55 -1.72 119.74 123.00 1jcv s LYS 8 Ca 0.42 -1.14 -0.22 0.00 0.02 0.00 0.00 55.97 55.06 1jcv s LYS 8 Cb -0.17 -0.17 0.07 0.00 -0.52 0.00 0.00 37.83 37.05 1jcv s LYS 8 CO 0.14 -0.01 0.99 0.41 -0.92 0.00 0.00 175.35 175.96 1jcv n GLY 9 N 0.45 0.40 1.00 -3.33 0.00 -1.25 -1.81 105.19 100.65 1jcv n GLY 9 Ca -0.16 -1.03 0.08 0.00 0.00 0.00 0.00 46.02 44.91 1jcv n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jcv n ASP 10 N -0.96 3.73 -1.15 1.61 8.00 -1.26 -4.55 116.55 121.97 1jcv n ASP 10 Ca 0.02 -2.37 0.09 0.00 0.71 0.00 0.00 54.79 53.24 1jcv n ASP 10 Cb 0.47 -0.42 0.27 0.00 -0.02 0.00 0.00 41.12 41.42 1jcv n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jcv n ALA 11 N 0.50 2.61 -0.31 2.24 0.00 -1.26 -4.94 120.51 119.35 1jcv n ALA 11 Ca 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.16 1jcv n ALA 11 Cb 0.68 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1jcv n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcv n GLY 12 N 0.88 1.27 3.82 0.00 0.00 -1.26 -5.02 105.19 104.87 1jcv n GLY 12 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1jcv n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcv s VAL 13 N -2.90 5.42 0.19 1.61 1.01 -1.26 -4.08 120.40 120.39 1jcv s VAL 13 Ca 0.00 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 1jcv s VAL 13 Cb 0.00 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1jcv s VAL 13 CO 0.00 0.54 0.60 -0.94 0.00 0.00 0.00 175.10 175.30 1jcv s SER 14 N -0.49 -0.43 0.00 3.32 1.04 -0.92 -3.81 113.70 112.40 1jcv s SER 14 Ca 0.14 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1jcv s SER 14 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1jcv s SER 14 CO 0.03 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1jcv n GLY 15 N -0.38 -1.39 2.85 7.32 0.00 -0.70 -0.53 105.19 112.36 1jcv n GLY 15 Ca -0.13 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 1jcv n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcv s VAL 16 N -2.82 0.09 -0.13 1.61 1.01 -0.28 -0.34 120.40 119.54 1jcv s VAL 16 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1jcv s VAL 16 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1jcv s VAL 16 CO 0.00 0.07 -0.17 -0.69 0.00 0.00 0.00 175.10 174.31 1jcv s VAL 17 N 0.48 1.70 0.03 2.92 1.01 0.14 -1.81 120.40 124.86 1jcv s VAL 17 Ca -0.04 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.22 1jcv s VAL 17 Cb -0.07 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1jcv s VAL 17 CO -0.01 0.48 -0.03 -0.54 0.00 0.00 0.00 175.10 175.00 1jcv s LYS 18 N 1.04 2.60 0.01 2.72 1.02 0.58 -0.47 119.74 127.24 1jcv s LYS 18 Ca -0.04 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.26 1jcv s LYS 18 Cb -0.15 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1jcv s LYS 18 CO -0.04 0.59 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.78 1jcv s PHE 19 N -1.11 1.22 -0.10 3.18 0.40 0.07 -1.17 117.98 120.47 1jcv s PHE 19 Ca 0.20 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1jcv s PHE 19 Cb -0.11 -0.76 0.05 0.00 0.51 0.00 0.00 43.02 42.70 1jcv s PHE 19 CO 0.11 0.00 0.21 -2.00 0.70 0.00 0.00 175.22 174.25 1jcv s GLU 20 N -0.61 0.15 -0.03 0.44 2.12 -0.49 -1.35 118.70 118.93 1jcv s GLU 20 Ca 0.04 0.52 -0.01 0.00 0.36 0.00 0.00 54.97 55.88 1jcv s GLU 20 Cb -0.06 -0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.22 1jcv s GLU 20 CO 0.00 -0.20 0.05 -1.14 -0.54 0.00 0.00 175.26 173.43 1jcv s GLN 21 N 1.51 -0.05 -0.04 4.30 0.74 -0.56 -0.06 119.66 125.51 1jcv s GLN 21 Ca -0.07 0.27 -0.24 0.00 0.05 0.00 0.00 55.36 55.37 1jcv s GLN 21 Cb -0.11 -0.34 -0.19 0.00 1.10 0.00 0.00 33.01 33.47 1jcv s GLN 21 CO -0.08 -0.23 1.07 0.00 -0.55 0.00 0.00 175.29 175.51 1jcv h ALA 22 N 7.72 -0.12 -2.52 1.58 0.00 -1.84 0.29 119.26 124.37 1jcv h ALA 22 Ca -0.33 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1jcv h ALA 22 Cb 1.12 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 1jcv h ALA 22 CO 0.35 -0.28 -0.37 -1.54 0.00 0.00 0.00 179.25 177.41 1jcv s SER 23 N -5.60 0.12 0.31 0.00 1.04 -1.26 -4.41 113.70 103.89 1jcv s SER 23 Ca -0.15 -0.70 0.07 0.00 0.48 0.00 0.00 55.95 55.65 1jcv s SER 23 Cb 0.01 0.35 0.83 0.00 0.10 0.00 0.00 66.02 67.31 1jcv s SER 23 CO 0.59 -0.75 1.68 -0.08 0.98 0.00 0.00 173.24 175.66 1jcv h GLU 24 N 2.73 0.35 0.00 4.02 4.81 -1.91 -1.67 114.58 122.90 1jcv h GLU 24 Ca -0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1jcv h GLU 24 Cb 1.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1jcv h GLU 24 CO 0.55 0.23 -0.05 -1.13 -0.73 0.00 0.00 179.01 177.88 1jcv n SER 25 N -5.07 0.75 -4.89 1.04 3.41 -1.26 -4.89 113.62 102.71 1jcv n SER 25 Ca 0.25 0.53 -0.29 0.00 -0.26 0.00 0.00 58.87 59.10 1jcv n SER 25 Cb 0.75 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1jcv n SER 25 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1jcv s GLU 26 N -3.10 3.63 0.58 4.33 0.41 -0.63 -5.05 118.70 118.88 1jcv s GLU 26 Ca 0.11 0.43 -0.19 0.00 -0.41 0.00 0.00 54.97 54.91 1jcv s GLU 26 Cb 0.13 -2.30 -0.04 0.00 -1.78 0.00 0.00 34.13 30.14 1jcv s GLU 26 CO 0.60 -0.26 1.20 -2.14 -0.49 0.00 0.00 175.26 174.18 1jcv s PRO 27 N -4.60 3.05 -0.15 0.39 0.02 -1.26 -4.83 135.00 127.62 1jcv s PRO 27 Ca 0.51 1.82 -0.12 0.00 0.02 0.00 0.00 61.00 63.23 1jcv s PRO 27 Cb -0.10 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.40 1jcv s PRO 27 CO 0.43 -1.14 0.24 0.99 -0.33 0.00 0.00 177.00 177.19 1jcv s THR 28 N -1.59 5.33 -0.24 0.99 2.01 0.10 -4.57 115.64 117.66 1jcv s THR 28 Ca 0.76 0.44 -0.18 0.00 0.31 0.00 0.00 61.69 63.03 1jcv s THR 28 Cb -0.30 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1jcv s THR 28 CO 0.33 0.46 0.50 -0.89 -0.69 0.00 0.00 174.62 174.33 1jcv s THR 29 N 0.03 5.09 -0.20 -0.82 2.01 0.92 -0.61 115.64 122.06 1jcv s THR 29 Ca 0.15 0.88 -0.04 0.00 0.31 0.00 0.00 61.69 62.98 1jcv s THR 29 Cb -0.13 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1jcv s THR 29 CO 0.04 0.12 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.37 1jcv s VAL 30 N 2.10 3.76 0.04 3.82 1.01 0.47 -1.40 120.40 130.21 1jcv s VAL 30 Ca 0.21 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1jcv s VAL 30 Cb -0.16 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1jcv s VAL 30 CO 0.09 0.44 -0.19 -0.94 0.00 0.00 0.00 175.10 174.50 1jcv s SER 31 N 1.01 2.29 0.06 3.32 1.04 -0.32 -0.76 113.70 120.35 1jcv s SER 31 Ca 0.01 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 1jcv s SER 31 Cb -0.14 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.80 1jcv s SER 31 CO 0.01 0.13 0.23 -0.72 0.98 0.00 0.00 173.24 173.87 1jcv s TYR 32 N -0.81 0.03 -0.12 5.02 1.13 -0.12 -0.31 117.35 122.17 1jcv s TYR 32 Ca 0.06 -0.28 -0.04 0.00 -1.41 0.00 0.00 57.07 55.40 1jcv s TYR 32 Cb -0.09 0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.84 1jcv s TYR 32 CO 0.02 -0.49 0.16 -1.21 -2.51 0.00 0.00 175.55 171.51 1jcv s GLU 33 N -2.93 0.06 -0.04 -3.49 2.02 -0.75 -1.56 118.70 112.00 1jcv s GLU 33 Ca -0.02 0.39 0.01 0.00 0.02 0.00 0.00 54.97 55.37 1jcv s GLU 33 Cb 0.01 -0.69 0.02 0.00 0.10 0.00 0.00 34.13 33.57 1jcv s GLU 33 CO -0.06 -0.43 -0.04 0.42 0.02 0.00 0.00 175.26 175.17 1jcv s ILE 34 N 2.27 0.54 0.32 -1.63 1.01 0.50 -1.13 121.20 123.08 1jcv s ILE 34 Ca 0.04 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.65 1jcv s ILE 34 Cb -0.13 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1jcv s ILE 34 CO -0.07 0.23 0.08 0.00 0.00 0.00 0.00 174.94 175.17 1jcv s ALA 35 N 0.92 3.35 0.00 9.38 0.00 0.31 -0.71 121.76 135.00 1jcv s ALA 35 Ca -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1jcv s ALA 35 Cb -0.14 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1jcv s ALA 35 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1jcv n GLY 36 N -1.04 0.59 3.92 0.00 0.00 -1.21 -2.16 105.19 105.29 1jcv n GLY 36 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1jcv n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcv s ASN 37 N -2.06 4.58 0.49 1.61 0.01 -0.70 -4.38 114.94 114.49 1jcv s ASN 37 Ca 0.00 0.58 -0.23 0.00 -0.71 0.00 0.00 52.86 52.50 1jcv s ASN 37 Cb 0.00 -1.12 -0.07 0.00 0.41 0.00 0.00 41.25 40.47 1jcv s ASN 37 CO 0.00 -1.80 1.32 -0.44 -1.51 0.00 0.00 177.10 174.67 1jcv s SER 38 N -4.57 5.73 0.49 -1.22 0.01 -1.26 -4.27 113.70 108.61 1jcv s SER 38 Ca 0.62 2.68 -0.15 0.00 1.31 0.00 0.00 55.95 60.41 1jcv s SER 38 Cb -0.10 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 1jcv s SER 38 CO 0.47 -1.25 0.93 -2.16 0.41 0.00 0.00 173.24 171.64 1jcv s PRO 39 N -2.67 3.90 -1.33 12.44 0.04 -1.26 -4.25 135.00 141.87 1jcv s PRO 39 Ca 0.66 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 1jcv s PRO 39 Cb -0.38 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.95 1jcv s PRO 39 CO 0.47 -0.21 0.59 0.09 0.04 0.00 0.00 177.00 177.98 1jcv n ASN 40 N -1.51 -1.25 -2.65 6.66 3.02 0.21 -4.94 115.26 114.80 1jcv n ASN 40 Ca 0.05 -0.92 -0.14 0.00 -0.03 0.00 0.00 54.58 53.54 1jcv n ASN 40 Cb 0.54 -3.58 -0.05 0.00 -0.61 0.00 0.00 39.78 36.08 1jcv n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jcv n ALA 41 N -4.30 0.49 -3.51 5.41 0.00 -1.19 -4.93 120.51 112.48 1jcv n ALA 41 Ca -0.28 -1.37 -0.25 0.00 0.00 0.00 0.00 53.44 51.54 1jcv n ALA 41 Cb 0.67 1.08 -0.17 0.00 0.00 0.00 0.00 19.45 21.04 1jcv n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jcv s GLU 42 N -2.97 1.74 -0.05 0.00 2.02 -1.26 -0.74 118.70 117.45 1jcv s GLU 42 Ca 0.26 -0.42 0.04 0.00 0.02 0.00 0.00 54.97 54.87 1jcv s GLU 42 Cb 0.01 -1.46 0.00 0.00 0.10 0.00 0.00 34.13 32.78 1jcv s GLU 42 CO 0.18 -0.00 -0.16 1.03 0.02 0.00 0.00 175.26 176.33 1jcv s ARG 43 N 0.77 1.79 0.36 1.61 1.81 -0.07 -3.36 118.95 121.85 1jcv s ARG 43 Ca -0.13 -0.55 -0.28 0.00 -1.72 0.00 0.00 55.73 53.05 1jcv s ARG 43 Cb -0.16 -1.52 -0.12 0.00 -0.45 0.00 0.00 34.95 32.71 1jcv s ARG 43 CO 0.02 0.17 1.32 0.41 -0.68 0.00 0.00 175.30 176.54 1jcv n GLY 44 N 3.36 0.67 2.77 -3.53 0.00 -0.07 -0.70 105.19 107.69 1jcv n GLY 44 Ca -0.19 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1jcv n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jcv s PHE 45 N -1.11 -0.10 0.20 1.61 5.36 0.19 -0.43 117.98 123.70 1jcv s PHE 45 Ca 0.56 0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.79 1jcv s PHE 45 Cb -0.55 -0.37 -0.00 0.00 -0.34 0.00 0.00 43.02 41.76 1jcv s PHE 45 CO 0.62 -0.33 0.37 -1.01 -1.46 0.00 0.00 175.22 173.41 1jcv s HIS 46 N 2.26 0.35 -0.24 10.12 3.76 -0.74 -1.89 115.29 128.90 1jcv s HIS 46 Ca 0.04 -0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 54.13 1jcv s HIS 46 Cb -0.13 0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.57 1jcv s HIS 46 CO -0.06 -0.83 0.19 0.42 -0.85 0.00 0.00 174.74 173.60 1jcv s ILE 47 N -3.98 5.34 0.19 0.60 1.01 0.07 -0.75 121.20 123.68 1jcv s ILE 47 Ca 0.19 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.10 1jcv s ILE 47 Cb 0.02 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.93 1jcv s ILE 47 CO 0.03 0.33 0.33 -1.00 0.00 0.00 0.00 174.94 174.63 1jcv s HIS 48 N 1.13 3.48 0.24 3.97 3.76 0.72 -1.03 115.29 127.55 1jcv s HIS 48 Ca 0.09 0.12 -0.06 0.00 -0.15 0.00 0.00 55.06 55.06 1jcv s HIS 48 Cb -0.14 -1.67 0.36 0.00 1.11 0.00 0.00 32.58 32.24 1jcv s HIS 48 CO 0.05 0.46 1.81 1.49 -0.85 0.00 0.00 174.74 177.71 1jcv h GLU 49 N 1.81 0.74 -6.35 1.40 4.81 -0.77 -2.66 114.58 113.56 1jcv h GLU 49 Ca -0.49 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.02 1jcv h GLU 49 Cb 1.20 -0.17 -0.18 0.00 0.63 0.00 0.00 28.75 30.24 1jcv h GLU 49 CO 0.66 0.49 -0.72 -0.06 -0.73 0.00 0.00 179.01 178.65 1jcv s PHE 50 N -6.05 2.83 -0.84 0.92 0.08 -0.11 -4.67 117.98 110.13 1jcv s PHE 50 Ca -0.12 -0.08 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 1jcv s PHE 50 Cb 0.18 -1.58 0.30 0.00 -0.57 0.00 0.00 43.02 41.35 1jcv s PHE 50 CO 0.78 0.35 2.12 0.41 -0.10 0.00 0.00 175.22 178.78 1jcv n GLY 51 N 1.52 5.44 3.29 4.36 0.00 -0.94 -3.57 105.19 115.29 1jcv n GLY 51 Ca -0.15 -2.40 -0.37 0.00 0.00 0.00 0.00 46.02 43.10 1jcv n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jcv s ASP 52 N -0.86 5.13 -0.24 1.61 -1.08 -1.26 -4.93 116.67 115.03 1jcv s ASP 52 Ca 0.51 -0.94 0.14 0.00 -0.52 0.00 0.00 52.55 51.73 1jcv s ASP 52 Cb 0.38 -1.85 0.67 0.00 -1.46 0.00 0.00 42.92 40.67 1jcv s ASP 52 CO -0.33 -0.25 1.62 0.00 0.52 0.00 0.00 175.17 176.72 1jcv n ALA 53 N 4.81 3.73 0.25 3.66 0.00 -1.26 -3.33 120.51 128.36 1jcv n ALA 53 Ca -0.14 -2.27 0.13 0.00 0.00 0.00 0.00 53.44 51.16 1jcv n ALA 53 Cb 0.46 -0.96 0.56 0.00 0.00 0.00 0.00 19.45 19.51 1jcv n ALA 53 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1jcv h THR 54 N 2.61 0.34 -2.31 0.00 1.35 -1.93 -3.34 112.91 109.63 1jcv h THR 54 Ca 0.08 -0.85 -0.59 0.00 -0.55 0.00 0.00 66.41 64.50 1jcv h THR 54 Cb 1.83 1.65 -0.40 0.00 -1.73 0.00 0.00 68.15 69.50 1jcv h THR 54 CO 0.44 0.13 -0.89 -3.20 -0.25 0.00 0.00 175.52 171.75 1jcv n ASN 55 N -3.29 1.15 0.00 5.36 5.15 -1.26 -5.04 115.26 117.32 1jcv n ASN 55 Ca 0.00 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 1jcv n ASN 55 Cb 0.37 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 38.98 1jcv n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jcv n GLY 56 N 1.78 3.18 0.63 8.20 0.00 -1.26 -1.27 105.19 116.46 1jcv n GLY 56 Ca 0.25 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1jcv n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcv h VAL 58 N 3.10 1.28 0.00 0.00 2.07 -1.53 -3.08 116.25 118.09 1jcv h VAL 58 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1jcv h VAL 58 Cb 0.80 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1jcv h VAL 58 CO 0.00 0.35 0.00 -1.54 0.02 0.00 0.00 177.57 176.40 1jcv n SER 59 N -4.48 0.00 0.23 0.57 3.41 -1.04 -1.89 113.62 110.41 1jcv n SER 59 Ca -0.03 0.11 0.16 0.00 -0.26 0.00 0.00 58.87 58.85 1jcv n SER 59 Cb 0.32 -0.27 0.66 0.00 -0.26 0.00 0.00 64.21 64.65 1jcv n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jcv h ALA 60 N 2.51 1.00 -0.11 7.33 0.00 -1.53 -3.39 119.26 125.08 1jcv h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jcv h ALA 60 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jcv h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1jcv n GLY 61 N -0.12 -1.12 3.94 0.00 0.00 -0.80 -0.94 105.19 106.16 1jcv n GLY 61 Ca 0.01 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 1jcv n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jcv s PRO 62 N 0.00 0.78 0.38 1.61 0.04 -1.26 -4.68 135.00 131.88 1jcv s PRO 62 Ca 0.00 -0.53 -0.28 0.00 0.04 0.00 0.00 61.00 60.23 1jcv s PRO 62 Cb 0.00 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1jcv s PRO 62 CO 0.00 -2.28 1.41 -1.01 0.04 0.00 0.00 177.00 175.17 1jcv s HIS 63 N -3.78 2.70 -0.02 0.56 3.76 -1.26 -0.60 115.29 116.65 1jcv s HIS 63 Ca 0.73 1.27 -0.30 0.00 -0.15 0.00 0.00 55.06 56.61 1jcv s HIS 63 Cb -0.04 -3.89 -0.07 0.00 1.11 0.00 0.00 32.58 29.70 1jcv s HIS 63 CO 0.52 -2.62 1.76 0.12 -0.85 0.00 0.00 174.74 173.68 1jcv s PHE 64 N -1.15 1.74 -0.42 1.40 5.36 -0.19 -4.48 117.98 120.23 1jcv s PHE 64 Ca 0.54 -0.04 0.08 0.00 -0.96 0.00 0.00 56.93 56.55 1jcv s PHE 64 Cb -0.44 -4.03 0.29 0.00 -0.34 0.00 0.00 43.02 38.50 1jcv s PHE 64 CO 0.58 -4.47 0.75 -1.71 -1.46 0.00 0.00 175.22 168.92 1jcv n ASN 65 N 7.25 -0.67 0.28 6.13 5.15 -1.26 -1.70 115.26 130.43 1jcv n ASN 65 Ca 0.18 -3.07 0.13 0.00 -0.60 0.00 0.00 54.58 51.22 1jcv n ASN 65 Cb 0.42 0.29 0.79 0.00 -0.53 0.00 0.00 39.78 40.75 1jcv n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jcv h PRO 66 N 3.54 0.00 -0.09 1.20 0.13 -1.98 -2.38 132.00 132.42 1jcv h PRO 66 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1jcv h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1jcv h PRO 66 CO 0.39 0.07 0.00 1.19 -0.23 0.00 0.00 178.00 179.42 1jcv n PHE 67 N -3.77 0.10 -3.63 1.56 3.72 -1.26 -4.96 117.46 109.22 1jcv n PHE 67 Ca -0.02 -0.05 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 1jcv n PHE 67 Cb 0.17 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 1jcv n PHE 67 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1jcv n LYS 68 N 0.41 -4.49 -3.42 -1.08 5.02 -0.90 -5.01 118.16 108.69 1jcv n LYS 68 Ca 0.18 0.65 -0.20 0.00 -2.02 0.00 0.00 58.31 56.92 1jcv n LYS 68 Cb 0.38 -5.20 -0.02 0.00 -0.02 0.00 0.00 35.03 30.17 1jcv n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jcv s LYS 69 N -5.77 2.62 0.57 1.97 -0.14 -1.26 -5.12 119.74 112.61 1jcv s LYS 69 Ca 0.09 -1.45 -0.08 0.00 -1.36 0.00 0.00 55.97 53.17 1jcv s LYS 69 Cb -0.02 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 33.62 1jcv s LYS 69 CO 0.80 -0.21 0.92 0.95 -0.76 0.00 0.00 175.35 177.06 1jcv s THR 70 N -2.43 4.39 0.27 2.17 -4.23 -1.26 -4.71 115.64 109.83 1jcv s THR 70 Ca 0.50 0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 61.10 1jcv s THR 70 Cb -0.05 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 69.97 1jcv s THR 70 CO 0.29 -0.82 1.38 -2.28 -0.54 0.00 0.00 174.62 172.65 1jcv s HIS 71 N -3.00 3.06 0.07 3.99 2.46 -0.24 -3.31 115.29 118.31 1jcv s HIS 71 Ca 0.52 1.19 -0.01 0.00 0.47 0.00 0.00 55.06 57.23 1jcv s HIS 71 Cb -0.11 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 1jcv s HIS 71 CO 0.48 -2.28 0.10 0.41 -2.47 0.00 0.00 174.74 170.99 1jcv n GLY 72 N 1.74 2.64 3.86 1.59 0.00 -1.26 -4.12 105.19 109.64 1jcv n GLY 72 Ca 0.04 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 1jcv n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcv s ALA 73 N -1.63 3.17 0.39 4.61 0.00 -1.23 -4.74 121.76 122.34 1jcv s ALA 73 Ca 0.05 -0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.08 1jcv s ALA 73 Cb -0.00 -2.96 0.91 0.00 0.00 0.00 0.00 23.12 21.06 1jcv s ALA 73 CO 0.03 -0.31 1.93 -1.35 0.00 0.00 0.00 175.76 176.06 1jcv h PRO 74 N 0.62 0.55 -0.00 0.00 0.11 -1.90 -0.83 132.00 130.55 1jcv h PRO 74 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jcv h PRO 74 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1jcv h PRO 74 CO 0.62 0.37 -0.02 0.25 -0.21 0.00 0.00 178.00 179.01 1jcv n THR 75 N -4.50 0.00 -2.75 -1.15 -2.24 -1.26 -4.85 114.28 97.53 1jcv n THR 75 Ca 0.13 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.47 1jcv n THR 75 Cb 0.41 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1jcv n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jcv s ASP 76 N -2.11 7.20 0.14 3.42 1.01 -0.32 -4.96 116.67 121.05 1jcv s ASP 76 Ca 0.41 1.85 -0.09 0.00 0.71 0.00 0.00 52.55 55.42 1jcv s ASP 76 Cb 0.21 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1jcv s ASP 76 CO 0.38 -0.17 1.42 -0.33 0.21 0.00 0.00 175.17 176.69 1jcv h GLU 77 N 2.90 0.77 -5.11 8.23 5.08 -1.89 -3.39 114.58 121.18 1jcv h GLU 77 Ca -0.47 -0.51 -0.67 0.00 -1.00 0.00 0.00 59.36 56.71 1jcv h GLU 77 Cb 1.19 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 30.34 1jcv h GLU 77 CO 0.64 1.14 0.16 0.08 -1.00 0.00 0.00 179.01 180.03 1jcv s VAL 78 N -4.02 4.76 0.26 3.13 1.01 -1.26 -4.98 120.40 119.30 1jcv s VAL 78 Ca -0.10 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 1jcv s VAL 78 Cb 0.10 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 32.14 1jcv s VAL 78 CO 0.88 -0.91 0.73 0.00 0.00 0.00 0.00 175.10 175.80 1jcv s ARG 79 N 2.92 1.69 0.35 2.72 1.70 -1.22 -4.19 118.95 122.91 1jcv s ARG 79 Ca 0.18 -0.92 -0.21 0.00 -0.47 0.00 0.00 55.73 54.31 1jcv s ARG 79 Cb -0.18 0.59 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1jcv s ARG 79 CO 0.13 -0.77 0.86 -1.01 -1.08 0.00 0.00 175.30 173.42 1jcv s HIS 80 N -3.85 3.47 0.28 5.89 3.76 -1.21 -4.65 115.29 118.99 1jcv s HIS 80 Ca 0.10 1.53 0.02 0.00 -0.15 0.00 0.00 55.06 56.56 1jcv s HIS 80 Cb -0.05 -2.76 0.62 0.00 1.11 0.00 0.00 32.58 31.50 1jcv s HIS 80 CO 0.05 0.09 1.79 0.28 -0.85 0.00 0.00 174.74 176.10 1jcv h VAL 81 N 2.23 0.79 0.00 -0.90 2.07 -1.87 -2.15 116.25 116.42 1jcv h VAL 81 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1jcv h VAL 81 Cb 1.18 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1jcv h VAL 81 CO 0.64 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.99 1jcv n GLY 82 N -1.33 -0.87 3.60 2.17 0.00 -0.69 -4.42 105.19 103.63 1jcv n GLY 82 Ca 0.20 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1jcv n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jcv s ASP 83 N -2.09 6.06 -0.11 1.61 1.01 -0.81 -0.75 116.67 121.59 1jcv s ASP 83 Ca 0.37 1.00 0.15 0.00 0.71 0.00 0.00 52.55 54.78 1jcv s ASP 83 Cb 0.18 -2.53 0.46 0.00 1.01 0.00 0.00 42.92 42.04 1jcv s ASP 83 CO 0.32 -1.63 1.38 0.23 0.21 0.00 0.00 175.17 175.68 1jcv n MET 84 N 8.33 2.98 0.00 8.23 2.81 -0.79 -4.30 117.12 134.38 1jcv n MET 84 Ca 0.20 -2.57 0.00 0.00 -1.81 0.00 0.00 57.70 53.52 1jcv n MET 84 Cb 0.48 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1jcv n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jcv n GLY 85 N -0.06 2.65 3.57 3.03 0.00 -1.21 -4.70 105.19 108.46 1jcv n GLY 85 Ca 0.18 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1jcv n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jcv s ASN 86 N -4.00 4.41 -0.10 1.61 0.01 -1.26 -0.63 114.94 114.98 1jcv s ASN 86 Ca 0.00 -0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 51.84 1jcv s ASN 86 Cb 0.00 -0.90 -0.03 0.00 0.41 0.00 0.00 41.25 40.73 1jcv s ASN 86 CO 0.00 0.23 -0.05 0.68 -1.51 0.00 0.00 177.10 176.44 1jcv s VAL 87 N -1.10 3.81 0.09 1.60 -7.23 0.12 -4.84 120.40 112.86 1jcv s VAL 87 Ca 0.19 -0.42 -0.24 0.00 -1.81 0.00 0.00 61.98 59.69 1jcv s VAL 87 Cb -0.11 -2.59 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1jcv s VAL 87 CO 0.10 0.57 0.74 -0.54 -0.31 0.00 0.00 175.10 175.66 1jcv s LYS 88 N -0.45 4.48 0.04 4.82 1.02 -1.26 -0.89 119.74 127.50 1jcv s LYS 88 Ca 0.07 1.04 0.03 0.00 0.02 0.00 0.00 55.97 57.13 1jcv s LYS 88 Cb -0.12 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1jcv s LYS 88 CO 0.02 0.44 0.01 0.95 -0.92 0.00 0.00 175.35 175.85 1jcv s THR 89 N -0.61 4.12 0.00 2.17 -4.23 0.08 -4.26 115.64 112.91 1jcv s THR 89 Ca 0.36 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1jcv s THR 89 Cb -0.21 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.73 1jcv s THR 89 CO 0.23 0.25 0.00 -0.90 -0.54 0.00 0.00 174.62 173.66 1jcv n ASP 90 N 0.98 0.00 0.19 3.99 5.68 0.93 -2.64 116.55 125.67 1jcv n ASP 90 Ca -0.12 -0.84 0.14 0.00 -0.50 0.00 0.00 54.79 53.46 1jcv n ASP 90 Cb 0.52 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.13 1jcv n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1jcv h GLU 91 N 0.00 0.00 -0.42 0.11 9.09 -1.92 0.93 114.58 122.37 1jcv h GLU 91 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jcv h GLU 91 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1jcv h GLU 91 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1jcv n ASN 92 N -2.48 3.41 -0.01 3.06 5.03 -1.26 -4.77 115.26 118.24 1jcv n ASN 92 Ca 0.00 -1.96 -0.00 0.00 0.87 0.00 0.00 54.58 53.49 1jcv n ASN 92 Cb 0.17 -0.27 -0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1jcv n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jcv n GLY 93 N 1.38 0.43 3.80 7.41 0.00 -0.52 -4.64 105.19 113.04 1jcv n GLY 93 Ca 0.19 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 1jcv n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jcv s VAL 94 N -2.00 5.35 -0.16 1.61 1.01 -1.26 -1.72 120.40 123.23 1jcv s VAL 94 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1jcv s VAL 94 Cb 0.00 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1jcv s VAL 94 CO 0.00 0.51 -0.15 0.00 0.00 0.00 0.00 175.10 175.46 1jcv s ALA 95 N -0.35 2.48 -0.08 5.51 0.00 0.11 -0.05 121.76 129.38 1jcv s ALA 95 Ca 0.15 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.99 1jcv s ALA 95 Cb -0.13 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1jcv s ALA 95 CO 0.04 -0.06 0.21 0.21 0.00 0.00 0.00 175.76 176.16 1jcv s LYS 96 N 0.86 0.22 0.00 0.00 2.20 -1.26 -0.37 119.74 121.39 1jcv s LYS 96 Ca -0.04 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1jcv s LYS 96 Cb -0.15 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 1jcv s LYS 96 CO -0.01 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1jcv n GLY 97 N 3.38 -1.34 3.50 5.54 0.00 -0.60 -5.00 105.19 110.67 1jcv n GLY 97 Ca -0.17 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 1jcv n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jcv s SER 98 N -3.67 -0.59 0.21 1.61 1.04 -1.26 -0.95 113.70 110.09 1jcv s SER 98 Ca 0.00 0.48 -0.18 0.00 0.48 0.00 0.00 55.95 56.72 1jcv s SER 98 Cb 0.00 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1jcv s SER 98 CO 0.00 -0.67 0.56 0.72 0.98 0.00 0.00 173.24 174.83 1jcv s PHE 99 N -1.91 -0.13 -0.02 5.02 -0.12 0.06 -4.98 117.98 115.91 1jcv s PHE 99 Ca -0.06 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 56.60 1jcv s PHE 99 Cb -0.00 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1jcv s PHE 99 CO 0.03 -0.97 -0.00 0.15 -0.05 0.00 0.00 175.22 174.37 1jcv s LYS 100 N -3.88 2.81 -0.03 1.99 1.02 -1.26 -0.39 119.74 120.00 1jcv s LYS 100 Ca 0.10 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 1jcv s LYS 100 Cb -0.02 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1jcv s LYS 100 CO -0.01 0.64 0.07 0.34 -0.92 0.00 0.00 175.35 175.47 1jcv s ASP 101 N -1.41 -0.05 0.00 2.83 2.15 0.22 -4.93 116.67 115.46 1jcv s ASP 101 Ca 0.18 0.13 0.23 0.00 0.43 0.00 0.00 52.55 53.53 1jcv s ASP 101 Cb -0.11 0.11 0.16 0.00 -0.30 0.00 0.00 42.92 42.78 1jcv s ASP 101 CO 0.09 -0.05 1.19 -1.20 -0.17 0.00 0.00 175.17 175.03 1jcv n SER 102 N 3.33 1.68 -0.08 -0.34 7.64 -1.26 0.02 113.62 124.61 1jcv n SER 102 Ca -0.16 -1.30 -0.15 0.00 1.01 0.00 0.00 58.87 58.27 1jcv n SER 102 Cb 0.57 0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 64.07 1jcv n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1jcv n LEU 103 N -0.32 1.67 -4.71 -3.43 4.77 -1.26 -4.91 117.00 108.82 1jcv n LEU 103 Ca 0.09 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1jcv n LEU 103 Cb 0.43 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1jcv n LEU 103 CO 0.29 0.70 0.82 -0.63 -1.33 0.00 0.00 177.39 177.24 1jcv s ILE 104 N -2.53 4.41 0.04 -0.08 1.01 -1.26 -4.99 121.20 117.80 1jcv s ILE 104 Ca -0.20 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1jcv s ILE 104 Cb 0.07 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1jcv s ILE 104 CO 0.74 0.10 -0.04 -0.54 0.00 0.00 0.00 174.94 175.20 1jcv s LYS 105 N 1.29 0.48 0.00 2.79 1.02 -1.26 -4.13 119.74 119.92 1jcv s LYS 105 Ca 0.55 -0.86 0.13 0.00 0.02 0.00 0.00 55.97 55.81 1jcv s LYS 105 Cb -0.25 0.03 0.20 0.00 -0.52 0.00 0.00 37.83 37.28 1jcv s LYS 105 CO 0.27 -0.04 1.06 1.28 -0.92 0.00 0.00 175.35 176.99 1jcv n LEU 106 N 1.04 2.45 -4.03 3.17 4.77 -1.26 -0.76 117.00 122.39 1jcv n LEU 106 Ca -0.20 -1.39 -0.16 0.00 -0.03 0.00 0.00 56.01 54.23 1jcv n LEU 106 Cb 0.57 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 1jcv n LEU 106 CO 0.23 0.53 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.78 1jcv s ILE 107 N -1.04 0.60 0.00 -0.08 1.01 -1.26 -4.79 121.20 115.64 1jcv s ILE 107 Ca 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1jcv s ILE 107 Cb 0.12 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1jcv s ILE 107 CO 0.17 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1jcv n GLY 108 N 2.29 -3.61 0.33 6.18 0.00 -1.26 -4.20 105.19 104.92 1jcv n GLY 108 Ca -0.17 -1.94 0.22 0.00 0.00 0.00 0.00 46.02 44.13 1jcv n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jcv h PRO 109 N 0.00 0.00 -0.53 1.61 0.13 -2.00 -1.62 132.00 129.59 1jcv h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1jcv h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1jcv h PRO 109 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 1jcv n THR 110 N -3.12 1.66 -1.60 1.56 -2.24 -1.26 -5.02 114.28 104.26 1jcv n THR 110 Ca -0.03 -1.25 -0.43 0.00 -2.27 0.00 0.00 64.05 60.07 1jcv n THR 110 Cb 0.10 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1jcv n THR 110 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1jcv n SER 111 N 0.78 1.32 -0.75 3.42 2.88 -0.61 -4.52 113.62 116.14 1jcv n SER 111 Ca 0.22 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 59.01 1jcv n SER 111 Cb 0.77 -1.32 0.31 0.00 -0.75 0.00 0.00 64.21 63.23 1jcv n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1jcv n VAL 112 N -0.04 0.11 -1.94 2.46 0.24 0.06 -4.89 118.33 114.34 1jcv n VAL 112 Ca 0.09 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.34 61.55 1jcv n VAL 112 Cb 0.35 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 1jcv n VAL 112 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jcv s VAL 113 N -1.89 2.71 0.00 3.34 1.01 -1.26 -1.29 120.40 123.02 1jcv s VAL 113 Ca 0.34 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1jcv s VAL 113 Cb 0.20 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1jcv s VAL 113 CO 0.31 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1jcv n GLY 114 N 3.79 0.71 0.00 4.51 0.00 0.69 -5.02 105.19 109.88 1jcv n GLY 114 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jcv n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jcv n ARG 115 N -2.00 3.19 -4.17 1.61 1.74 -0.41 -2.20 116.66 114.42 1jcv n ARG 115 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1jcv n ARG 115 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1jcv n ARG 115 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1jcv s SER 116 N -0.81 1.35 -0.10 0.55 0.01 -1.00 -0.49 113.70 113.20 1jcv s SER 116 Ca 0.00 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.44 1jcv s SER 116 Cb 0.00 0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 1jcv s SER 116 CO 0.00 -0.29 -0.08 -0.69 0.41 0.00 0.00 173.24 172.59 1jcv s VAL 117 N -2.55 3.55 -0.06 3.43 1.01 -0.14 -0.20 120.40 125.44 1jcv s VAL 117 Ca 0.05 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1jcv s VAL 117 Cb -0.02 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1jcv s VAL 117 CO -0.01 0.56 -0.15 -0.69 0.00 0.00 0.00 175.10 174.81 1jcv s VAL 118 N -0.27 1.34 -0.17 2.92 1.01 0.07 -1.93 120.40 123.37 1jcv s VAL 118 Ca 0.03 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1jcv s VAL 118 Cb -0.13 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1jcv s VAL 118 CO 0.03 0.40 -0.01 -0.51 0.00 0.00 0.00 175.10 175.00 1jcv s ILE 119 N 0.34 4.06 0.38 2.22 1.10 -0.86 -1.80 121.20 126.63 1jcv s ILE 119 Ca -0.10 -0.29 0.01 0.00 -0.51 0.00 0.00 60.65 59.76 1jcv s ILE 119 Cb -0.14 -2.80 -0.02 0.00 0.15 0.00 0.00 42.46 39.65 1jcv s ILE 119 CO 0.04 0.47 0.58 -1.00 -2.11 0.00 0.00 174.94 172.91 1jcv s HIS 120 N 0.52 3.37 -0.91 3.50 3.76 0.42 -3.32 115.29 122.62 1jcv s HIS 120 Ca -0.02 0.24 0.26 0.00 -0.15 0.00 0.00 55.06 55.39 1jcv s HIS 120 Cb -0.14 -2.04 0.63 0.00 1.11 0.00 0.00 32.58 32.15 1jcv s HIS 120 CO 0.02 -0.04 1.51 0.00 -0.85 0.00 0.00 174.74 175.38 1jcv n ALA 121 N -1.86 3.12 -2.63 -1.40 0.00 -0.29 -4.42 120.51 113.04 1jcv n ALA 121 Ca -0.02 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.87 1jcv n ALA 121 Cb 0.57 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 1jcv n ALA 121 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jcv s GLY 122 N -3.16 2.67 0.18 0.00 0.00 -0.43 -4.96 107.32 101.62 1jcv s GLY 122 Ca 0.11 -1.27 -0.26 0.00 0.00 0.00 0.00 44.72 43.30 1jcv s GLY 122 CO 0.67 -2.04 0.80 1.62 0.00 0.00 0.00 173.10 174.15 1jcv s GLN 123 N -3.80 4.59 -0.17 2.90 0.74 -1.21 -0.89 119.66 121.80 1jcv s GLN 123 Ca 0.21 1.19 -0.23 0.00 0.05 0.00 0.00 55.36 56.58 1jcv s GLN 123 Cb 0.05 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 1jcv s GLN 123 CO 0.11 0.55 0.74 0.34 -0.55 0.00 0.00 175.29 176.47 1jcv s ASP 124 N -1.19 6.84 0.00 6.67 -1.08 -1.26 -3.92 116.67 122.73 1jcv s ASP 124 Ca 0.37 1.03 0.18 0.00 -0.52 0.00 0.00 52.55 53.61 1jcv s ASP 124 Cb -0.23 -2.41 1.05 0.00 -1.46 0.00 0.00 42.92 39.88 1jcv s ASP 124 CO 0.27 -0.32 1.68 -0.90 0.52 0.00 0.00 175.17 176.41 1jcv n ASP 125 N 5.05 0.04 -1.92 -0.34 5.68 0.84 -4.87 116.55 121.04 1jcv n ASP 125 Ca 0.02 -1.45 -0.20 0.00 -0.50 0.00 0.00 54.79 52.66 1jcv n ASP 125 Cb 0.49 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.43 1jcv n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1jcv n LEU 126 N -0.75 -1.69 -0.07 -2.12 4.77 -1.26 -1.56 117.00 114.31 1jcv n LEU 126 Ca 0.13 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 1jcv n LEU 126 Cb 0.07 -2.77 -0.00 0.00 -2.33 0.00 0.00 43.42 38.38 1jcv n LEU 126 CO 0.10 -0.57 -0.01 0.61 -1.33 0.00 0.00 177.39 176.19 1jcv n GLY 127 N -0.82 0.48 1.37 -0.72 0.00 -1.25 -3.48 105.19 100.78 1jcv n GLY 127 Ca -0.22 -0.25 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1jcv n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jcv n LYS 128 N -2.49 3.29 -1.97 1.61 5.02 -0.60 -4.64 118.16 118.38 1jcv n LYS 128 Ca -0.01 -2.73 -0.29 0.00 -2.02 0.00 0.00 58.31 53.27 1jcv n LYS 128 Cb 0.09 -1.72 0.10 0.00 -0.02 0.00 0.00 35.03 33.48 1jcv n LYS 128 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jcv s GLY 129 N -1.00 1.64 -0.01 0.72 0.00 -1.26 -4.94 107.32 102.46 1jcv s GLY 129 Ca 0.47 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.40 1jcv s GLY 129 CO 0.26 -0.28 0.83 1.34 0.00 0.00 0.00 173.10 175.24 1jcv n ASP 130 N -3.32 0.93 -4.43 1.64 -0.08 -1.26 -4.86 116.55 105.17 1jcv n ASP 130 Ca 0.09 -2.05 -0.21 0.00 -1.51 0.00 0.00 54.79 51.11 1jcv n ASP 130 Cb 0.61 -0.29 -0.10 0.00 2.34 0.00 0.00 41.12 43.67 1jcv n ASP 130 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1jcv s THR 131 N -1.52 1.84 0.30 5.18 -4.23 -1.26 -4.99 115.64 110.96 1jcv s THR 131 Ca 0.05 -2.19 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 1jcv s THR 131 Cb 0.03 -2.36 0.06 0.00 1.34 0.00 0.00 72.50 71.58 1jcv s THR 131 CO 0.02 -0.37 1.74 -0.33 -0.54 0.00 0.00 174.62 175.14 1jcv h GLU 132 N 2.31 0.32 -0.21 3.99 3.07 -2.00 -1.70 114.58 120.37 1jcv h GLU 132 Ca -0.40 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 58.26 1jcv h GLU 132 Cb 1.24 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1jcv h GLU 132 CO 0.65 0.61 -0.18 1.49 -1.40 0.00 0.00 179.01 180.18 1jcv h GLU 133 N 0.28 0.37 -0.88 2.33 4.57 -1.97 -2.37 114.58 116.91 1jcv h GLU 133 Ca 0.04 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1jcv h GLU 133 Cb 0.70 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1jcv h GLU 133 CO 0.05 0.55 0.55 1.03 -1.18 0.00 0.00 179.01 180.01 1jcv h SER 134 N 0.34 1.04 0.11 1.04 0.87 -1.64 -0.77 113.55 114.54 1jcv h SER 134 Ca 0.06 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1jcv h SER 134 Cb 0.52 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1jcv h SER 134 CO 0.03 0.78 0.00 0.18 -0.53 0.00 0.00 176.83 177.30 1jcv n LEU 135 N -4.38 0.00 -0.06 2.23 4.77 -0.90 -1.78 117.00 116.89 1jcv n LEU 135 Ca 0.10 0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1jcv n LEU 135 Cb 0.05 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1jcv n LEU 135 CO 0.37 -0.01 -0.82 0.29 -1.33 0.00 0.00 177.39 175.90 1jcv n LYS 136 N -1.06 0.27 0.00 3.23 5.02 -0.47 -1.08 118.16 124.07 1jcv n LYS 136 Ca 0.19 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1jcv n LYS 136 Cb 0.12 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1jcv n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1jcv n THR 137 N -3.67 0.00 -1.06 -0.18 -2.24 -0.42 -4.70 114.28 102.01 1jcv n THR 137 Ca -0.22 -0.45 -0.02 0.00 -2.27 0.00 0.00 64.05 61.09 1jcv n THR 137 Cb 0.59 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.83 1jcv n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jcv n GLY 138 N 0.70 0.49 3.03 3.38 0.00 -0.73 -3.12 105.19 108.93 1jcv n GLY 138 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1jcv n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jcv n ASN 139 N -0.08 -5.41 0.03 1.61 3.02 -1.26 -0.11 115.26 113.07 1jcv n ASN 139 Ca -0.02 -0.26 0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1jcv n ASN 139 Cb 0.20 -4.40 0.43 0.00 -0.61 0.00 0.00 39.78 35.40 1jcv n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jcv n ALA 140 N -3.36 1.90 -0.23 5.41 0.00 -1.18 -4.64 120.51 118.40 1jcv n ALA 140 Ca -0.10 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jcv n ALA 140 Cb 0.61 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1jcv n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcv n GLY 141 N 0.51 -0.44 3.42 0.00 0.00 -1.26 -1.32 105.19 106.10 1jcv n GLY 141 Ca 0.04 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1jcv n GLY 141 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jcv n PRO 142 N 0.00 -0.49 -3.86 1.61 -0.02 -1.26 -4.71 135.00 126.27 1jcv n PRO 142 Ca 0.00 -0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.08 1jcv n PRO 142 Cb 0.00 -1.88 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 1jcv n PRO 142 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jcv s ARG 143 N -3.69 2.54 0.50 -0.52 0.52 -1.26 -1.14 118.95 115.90 1jcv s ARG 143 Ca 0.57 -3.24 0.16 0.00 -0.52 0.00 0.00 55.73 52.70 1jcv s ARG 143 Cb -0.20 -3.50 1.20 0.00 0.52 0.00 0.00 34.95 32.97 1jcv s ARG 143 CO 0.67 -1.26 2.10 -1.00 0.02 0.00 0.00 175.30 175.83 1jcv h PRO 144 N 5.65 0.00 -3.36 3.54 0.13 -1.87 -3.45 132.00 132.64 1jcv h PRO 144 Ca 0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 1jcv h PRO 144 Cb 0.78 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.74 1jcv h PRO 144 CO 0.74 0.06 -0.27 0.00 -0.23 0.00 0.00 178.00 178.30 1jcv s ALA 145 N -4.91 -0.62 0.16 -0.56 0.00 -1.24 -4.01 121.76 110.58 1jcv s ALA 145 Ca -0.05 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 1jcv s ALA 145 Cb 0.16 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.67 1jcv s ALA 145 CO 0.67 -0.41 0.75 0.00 0.00 0.00 0.00 175.76 176.77 1jcv s GLY 147 N -2.77 -0.50 0.21 0.00 0.00 -0.81 -1.48 107.32 101.97 1jcv s GLY 147 Ca 0.06 1.49 -0.30 0.00 0.00 0.00 0.00 44.72 45.98 1jcv s GLY 147 CO -0.05 1.19 1.06 0.14 0.00 0.00 0.00 173.10 175.45 1jcv s VAL 148 N -0.48 3.83 -0.32 1.40 1.01 -1.26 -0.96 120.40 123.63 1jcv s VAL 148 Ca -0.06 1.70 -0.27 0.00 0.00 0.00 0.00 61.98 63.35 1jcv s VAL 148 Cb -0.03 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.28 1jcv s VAL 148 CO 0.05 0.35 0.99 -0.63 0.00 0.00 0.00 175.10 175.85 1jcv s ILE 149 N -0.67 4.59 0.21 2.22 1.01 0.36 -4.39 121.20 124.53 1jcv s ILE 149 Ca 0.46 1.55 0.09 0.00 0.00 0.00 0.00 60.65 62.75 1jcv s ILE 149 Cb -0.29 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 1jcv s ILE 149 CO 0.36 -0.42 -0.08 -0.83 0.00 0.00 0.00 174.94 173.97 1jcv s GLY 150 N 1.66 1.72 0.21 6.18 0.00 -0.14 -0.22 107.32 116.72 1jcv s GLY 150 Ca 0.41 -1.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 1jcv s GLY 150 CO 0.15 -1.59 1.00 -2.27 0.00 0.00 0.00 173.10 170.39 1jcv s LEU 151 N -3.11 4.58 0.00 0.66 1.98 -1.26 -0.94 118.68 120.58 1jcv s LEU 151 Ca 0.27 2.00 0.00 0.00 -2.89 0.00 0.00 54.13 53.51 1jcv s LEU 151 Cb -0.08 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.16 1jcv s LEU 151 CO 0.16 0.00 0.00 1.07 -1.89 0.00 0.00 176.35 175.70 1jcv n THR 152 N 1.84 0.00 -1.42 3.68 5.66 -0.32 -4.88 114.28 118.83 1jcv n THR 152 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jcv n THR 152 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1jcv n THR 152 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56