#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jtp s VAL 2 N 0.00 4.54 0.01 5.18 -7.23 -1.26 -4.71 120.40 116.92 1jtp s VAL 2 Ca 0.00 0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.42 1jtp s VAL 2 Cb 0.00 -3.75 -0.01 0.00 0.56 0.00 0.00 36.38 33.18 1jtp s VAL 2 CO 0.00 -0.79 -0.05 -1.58 -0.31 0.00 0.00 175.10 172.38 1jtp s GLN 3 N -4.87 0.36 -0.23 4.82 0.74 0.18 -4.99 119.66 115.67 1jtp s GLN 3 Ca 0.50 -0.30 -0.02 0.00 0.05 0.00 0.00 55.36 55.59 1jtp s GLN 3 Cb -0.10 -0.28 0.01 0.00 1.10 0.00 0.00 33.01 33.74 1jtp s GLN 3 CO 0.46 0.07 -0.06 -0.51 -0.55 0.00 0.00 175.29 174.70 1jtp s LEU 4 N -0.49 2.98 -0.19 3.68 1.43 -1.26 -1.15 118.68 123.68 1jtp s LEU 4 Ca -0.02 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1jtp s LEU 4 Cb -0.04 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1jtp s LEU 4 CO -0.00 -0.07 -0.12 -1.10 0.23 0.00 0.00 176.35 175.28 1jtp s GLN 5 N 1.39 3.22 0.11 1.70 -0.21 -0.35 -4.62 119.66 120.89 1jtp s GLN 5 Ca 0.03 -0.72 0.04 0.00 0.02 0.00 0.00 55.36 54.73 1jtp s GLN 5 Cb -0.15 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 1jtp s GLN 5 CO -0.05 -0.14 0.10 0.00 -2.12 0.00 0.00 175.29 173.08 1jtp s ALA 6 N 1.24 3.56 0.10 6.09 0.00 -1.26 -0.03 121.76 131.46 1jtp s ALA 6 Ca 0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 1jtp s ALA 6 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1jtp s ALA 6 CO -0.06 0.66 0.03 -1.12 0.00 0.00 0.00 175.76 175.28 1jtp s SER 7 N -2.64 0.37 0.00 0.00 0.01 0.24 -4.97 113.70 106.71 1jtp s SER 7 Ca 0.30 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1jtp s SER 7 Cb -0.11 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1jtp s SER 7 CO 0.22 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1jtp n GLY 8 N -0.01 -1.70 0.00 3.44 0.00 -1.26 -1.27 105.19 104.38 1jtp n GLY 8 Ca -0.09 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1jtp n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 9 N 0.00 -2.14 0.00 -0.02 0.00 -1.26 -4.92 105.19 96.84 1jtp n GLY 9 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1jtp n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 10 N -0.01 -0.17 3.73 -0.02 0.00 -0.10 -5.01 105.19 103.62 1jtp n GLY 10 Ca 0.00 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1jtp n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jtp s SER 11 N -4.00 5.36 -0.14 1.61 1.04 -1.26 -0.66 113.70 115.65 1jtp s SER 11 Ca 0.00 0.00 -0.27 0.00 0.48 0.00 0.00 55.95 56.16 1jtp s SER 11 Cb 0.00 -1.43 0.07 0.00 0.10 0.00 0.00 66.02 64.76 1jtp s SER 11 CO 0.00 0.23 0.66 0.54 0.98 0.00 0.00 173.24 175.65 1jtp s VAL 12 N -1.24 0.00 0.38 5.02 0.11 -0.22 -4.95 120.40 119.50 1jtp s VAL 12 Ca 0.24 -0.03 -0.25 0.00 -2.93 0.00 0.00 61.98 59.02 1jtp s VAL 12 Cb -0.12 -0.95 -0.09 0.00 -1.53 0.00 0.00 36.38 33.69 1jtp s VAL 12 CO 0.16 -0.01 1.04 -1.58 -3.33 0.00 0.00 175.10 171.38 1jtp s GLN 13 N -0.50 4.27 0.46 1.54 0.74 -1.26 -0.84 119.66 124.06 1jtp s GLN 13 Ca -0.06 1.53 -0.23 0.00 0.05 0.00 0.00 55.36 56.65 1jtp s GLN 13 Cb -0.02 -2.65 -0.10 0.00 1.10 0.00 0.00 33.01 31.34 1jtp s GLN 13 CO 0.06 -0.05 0.86 0.00 -0.55 0.00 0.00 175.29 175.61 1jtp n ALA 14 N 0.15 -0.29 0.00 1.58 0.00 0.35 -0.78 120.51 121.52 1jtp n ALA 14 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1jtp n ALA 14 Cb 0.49 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1jtp n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jtp n GLY 15 N 1.38 3.11 3.26 0.00 0.00 0.80 -4.85 105.19 108.89 1jtp n GLY 15 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1jtp n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 16 N -2.00 -1.76 3.18 -0.02 0.00 0.04 -3.99 105.19 100.64 1jtp n GLY 16 Ca 0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.19 1jtp n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jtp s SER 17 N -4.93 1.64 0.00 1.61 0.01 -1.26 -2.10 113.70 108.67 1jtp s SER 17 Ca 0.64 -0.67 -0.06 0.00 1.31 0.00 0.00 55.95 57.17 1jtp s SER 17 Cb -0.03 -0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 1jtp s SER 17 CO 0.46 -0.12 0.10 -0.76 0.41 0.00 0.00 173.24 173.33 1jtp s LEU 18 N -1.95 1.69 -0.13 2.44 1.43 -0.62 -5.00 118.68 116.54 1jtp s LEU 18 Ca 0.00 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1jtp s LEU 18 Cb -0.08 0.54 0.01 0.00 0.03 0.00 0.00 46.19 46.69 1jtp s LEU 18 CO 0.02 -0.33 -0.18 -0.60 0.23 0.00 0.00 176.35 175.49 1jtp s ARG 19 N -1.30 2.57 0.13 1.70 3.52 -1.26 -0.05 118.95 124.27 1jtp s ARG 19 Ca -0.14 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 54.80 1jtp s ARG 19 Cb -0.08 -2.16 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 1jtp s ARG 19 CO 0.01 -0.08 0.24 -0.51 -0.81 0.00 0.00 175.30 174.15 1jtp s LEU 20 N 1.02 4.24 0.09 -0.88 1.43 0.18 -4.43 118.68 120.32 1jtp s LEU 20 Ca -0.04 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1jtp s LEU 20 Cb -0.15 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 1jtp s LEU 20 CO -0.04 0.08 -0.10 -0.94 0.23 0.00 0.00 176.35 175.59 1jtp s SER 21 N -3.03 1.40 -0.15 2.29 1.04 -0.40 -0.87 113.70 113.98 1jtp s SER 21 Ca 0.34 -0.78 -0.06 0.00 0.48 0.00 0.00 55.95 55.93 1jtp s SER 21 Cb -0.11 0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.08 1jtp s SER 21 CO 0.27 -0.25 0.31 0.00 0.98 0.00 0.00 173.24 174.56 1jtp s ALA 23 N 2.14 2.94 -0.19 0.00 0.00 0.96 -1.40 121.76 126.19 1jtp s ALA 23 Ca -0.03 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.94 1jtp s ALA 23 Cb -0.11 -1.53 -0.05 0.00 0.00 0.00 0.00 23.12 21.43 1jtp s ALA 23 CO -0.10 0.15 0.24 0.00 0.00 0.00 0.00 175.76 176.05 1jtp s ALA 24 N 0.48 3.62 0.15 0.00 0.00 0.45 -1.22 121.76 125.23 1jtp s ALA 24 Ca -0.04 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1jtp s ALA 24 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1jtp s ALA 24 CO 0.03 -0.01 -0.11 -1.54 0.00 0.00 0.00 175.76 174.13 1jtp s SER 25 N 0.65 1.86 0.00 0.00 1.04 -0.30 -4.77 113.70 112.19 1jtp s SER 25 Ca 0.13 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1jtp s SER 25 Cb -0.13 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1jtp s SER 25 CO 0.03 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1jtp n GLY 26 N -0.17 0.77 3.87 7.32 0.00 -1.26 -0.65 105.19 115.07 1jtp n GLY 26 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1jtp n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jtp s TYR 27 N -2.52 3.48 -0.15 1.61 1.51 -1.26 -4.60 117.35 115.41 1jtp s TYR 27 Ca 0.00 0.85 -0.07 0.00 -1.01 0.00 0.00 57.07 56.84 1jtp s TYR 27 Cb 0.00 -2.23 -0.07 0.00 -0.11 0.00 0.00 41.96 39.55 1jtp s TYR 27 CO 0.00 0.35 -0.19 0.25 -1.11 0.00 0.00 175.55 174.85 1jtp n THR 28 N 0.16 0.82 -5.08 -0.71 -2.24 -1.26 -4.95 114.28 101.02 1jtp n THR 28 Ca -0.02 -0.22 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 1jtp n THR 28 Cb 0.52 -1.63 -0.17 0.00 -2.10 0.00 0.00 70.33 66.96 1jtp n THR 28 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jtp s ILE 29 N -2.28 1.96 0.00 2.28 -1.09 -1.26 -5.05 121.20 115.76 1jtp s ILE 29 Ca -0.21 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.26 1jtp s ILE 29 Cb 0.08 -1.70 0.00 0.00 -1.58 0.00 0.00 42.46 39.25 1jtp s ILE 29 CO 0.27 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.13 1jtp n GLY 30 N 3.63 -1.74 3.74 6.18 0.00 -1.26 -4.89 105.19 110.84 1jtp n GLY 30 Ca -0.19 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 1jtp n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jtp s PRO 31 N -0.01 1.56 0.05 1.61 0.04 -1.26 -4.87 135.00 132.11 1jtp s PRO 31 Ca 0.00 0.90 -0.14 0.00 0.04 0.00 0.00 61.00 61.80 1jtp s PRO 31 Cb 0.00 -1.84 -0.32 0.00 0.04 0.00 0.00 34.50 32.38 1jtp s PRO 31 CO 0.00 -2.06 1.05 -0.92 0.04 0.00 0.00 177.00 175.12 1jtp h TYR 32 N -1.42 0.92 -3.99 0.56 5.03 -1.21 -3.43 116.97 113.43 1jtp h TYR 32 Ca -0.48 -0.65 -0.45 0.00 2.58 0.00 0.00 58.73 59.73 1jtp h TYR 32 Cb 1.27 -0.05 -0.23 0.00 1.55 0.00 0.00 36.73 39.27 1jtp h TYR 32 CO 0.47 1.50 -0.79 0.00 -1.32 0.00 0.00 178.16 178.01 1jtp s MET 34 N -1.51 0.30 0.33 0.00 -1.94 -0.99 -1.32 119.30 114.17 1jtp s MET 34 Ca 0.01 -0.23 -0.16 0.00 -1.71 0.00 0.00 55.69 53.61 1jtp s MET 34 Cb -0.09 -0.23 0.06 0.00 2.01 0.00 0.00 34.83 36.58 1jtp s MET 34 CO 0.02 0.06 0.80 0.41 -0.01 0.00 0.00 175.02 176.30 1jtp n GLY 35 N 2.71 0.94 3.15 -0.03 0.00 -0.13 -0.85 105.19 110.98 1jtp n GLY 35 Ca -0.15 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 1jtp n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jtp s TRP 36 N -2.46 1.70 0.08 1.61 0.52 0.49 -0.90 118.94 119.98 1jtp s TRP 36 Ca 0.17 -0.44 0.09 0.00 0.02 0.00 0.00 56.10 55.93 1jtp s TRP 36 Cb -0.04 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.11 1jtp s TRP 36 CO 0.10 -0.13 -0.23 -0.06 0.02 0.00 0.00 176.95 176.65 1jtp s PHE 37 N -0.11 1.98 0.09 -1.98 0.40 -0.39 -0.93 117.98 117.05 1jtp s PHE 37 Ca -0.01 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1jtp s PHE 37 Cb -0.10 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 1jtp s PHE 37 CO 0.01 0.18 -0.15 -0.98 0.70 0.00 0.00 175.22 174.98 1jtp s ARG 38 N -1.56 0.93 -0.09 0.44 1.70 0.73 0.17 118.95 121.26 1jtp s ARG 38 Ca 0.09 -1.07 -0.01 0.00 -0.47 0.00 0.00 55.73 54.27 1jtp s ARG 38 Cb -0.10 -0.95 0.03 0.00 -0.57 0.00 0.00 34.95 33.36 1jtp s ARG 38 CO 0.03 0.21 -0.01 -1.14 -1.08 0.00 0.00 175.30 173.31 1jtp s GLN 39 N -2.03 0.81 -0.11 3.89 2.00 -0.38 -0.18 119.66 123.67 1jtp s GLN 39 Ca 0.03 -0.03 -0.04 0.00 -2.00 0.00 0.00 55.36 53.31 1jtp s GLN 39 Cb -0.09 -1.23 -0.04 0.00 0.80 0.00 0.00 33.01 32.46 1jtp s GLN 39 CO 0.03 -0.33 0.06 0.00 -0.50 0.00 0.00 175.29 174.54 1jtp s ALA 40 N 1.90 3.51 0.16 1.58 0.00 -1.26 -1.27 121.76 126.39 1jtp s ALA 40 Ca 0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 1jtp s ALA 40 Cb -0.13 -1.71 0.23 0.00 0.00 0.00 0.00 23.12 21.51 1jtp s ALA 40 CO -0.06 0.55 1.00 -2.30 0.00 0.00 0.00 175.76 174.95 1jtp n PRO 41 N 2.26 -0.10 -1.71 0.00 -0.02 -1.26 -1.53 135.00 132.64 1jtp n PRO 41 Ca -0.19 1.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 1jtp n PRO 41 Cb 0.54 -1.49 0.05 0.00 -0.02 0.00 0.00 33.50 32.58 1jtp n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jtp n GLY 42 N -1.36 5.93 3.46 -1.23 0.00 -1.26 -5.00 105.19 105.73 1jtp n GLY 42 Ca 0.08 -2.47 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 1jtp n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtp s LYS 43 N -3.81 1.45 0.36 1.61 1.02 -0.58 -5.15 119.74 114.65 1jtp s LYS 43 Ca 0.58 -1.40 -0.25 0.00 0.02 0.00 0.00 55.97 54.91 1jtp s LYS 43 Cb 0.46 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 38.08 1jtp s LYS 43 CO -0.10 -0.57 1.01 -2.00 -0.92 0.00 0.00 175.35 172.78 1jtp s GLU 44 N -4.02 4.36 0.35 1.68 2.12 -1.26 -4.67 118.70 117.26 1jtp s GLU 44 Ca 0.28 1.47 -0.28 0.00 0.36 0.00 0.00 54.97 56.80 1jtp s GLU 44 Cb 0.02 -2.69 -0.11 0.00 0.26 0.00 0.00 34.13 31.61 1jtp s GLU 44 CO 0.11 0.05 1.45 0.50 -0.54 0.00 0.00 175.26 176.82 1jtp s ARG 45 N -2.25 4.18 -0.09 4.30 3.52 -1.26 -4.76 118.95 122.58 1jtp s ARG 45 Ca 0.54 2.47 0.04 0.00 -0.13 0.00 0.00 55.73 58.65 1jtp s ARG 45 Cb -0.21 -3.00 -0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1jtp s ARG 45 CO 0.27 -0.45 -0.24 -2.00 -0.81 0.00 0.00 175.30 172.08 1jtp s GLU 46 N -1.83 2.97 -0.31 5.12 2.12 0.74 -4.95 118.70 122.57 1jtp s GLU 46 Ca 0.53 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 1jtp s GLU 46 Cb -0.45 -2.27 0.01 0.00 0.26 0.00 0.00 34.13 31.69 1jtp s GLU 46 CO 0.59 0.20 1.09 0.20 -0.54 0.00 0.00 175.26 176.79 1jtp s GLY 47 N 0.29 1.56 -0.17 -1.50 0.00 -1.25 -0.20 107.32 106.05 1jtp s GLY 47 Ca -0.17 -0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.33 1jtp s GLY 47 CO 0.08 2.28 0.32 -2.08 0.00 0.00 0.00 173.10 173.71 1jtp h VAL 48 N 5.71 1.02 -2.45 1.40 2.07 -1.35 -3.36 116.25 119.29 1jtp h VAL 48 Ca -0.21 -2.02 -0.07 0.00 0.82 0.00 0.00 66.70 65.22 1jtp h VAL 48 Cb 1.06 2.18 -0.18 0.00 -1.52 0.00 0.00 31.29 32.84 1jtp h VAL 48 CO 1.03 0.35 0.07 0.00 0.02 0.00 0.00 177.57 179.03 1jtp s ALA 49 N -2.37 -1.46 0.16 1.67 0.00 -1.15 -1.00 121.76 117.61 1jtp s ALA 49 Ca -0.22 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 1jtp s ALA 49 Cb 0.02 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 1jtp s ALA 49 CO 0.54 -0.41 0.31 0.00 0.00 0.00 0.00 175.76 176.20 1jtp s ALA 50 N -1.71 -0.21 -0.15 0.00 0.00 -0.49 -0.38 121.76 118.82 1jtp s ALA 50 Ca -0.09 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 1jtp s ALA 50 Cb -0.01 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.95 1jtp s ALA 50 CO 0.04 -0.65 0.41 -1.50 0.00 0.00 0.00 175.76 174.07 1jtp s ILE 51 N -3.93 -0.00 -0.34 0.00 2.07 -0.03 -1.35 121.20 117.62 1jtp s ILE 51 Ca 0.14 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.09 1jtp s ILE 51 Cb 0.03 -0.58 0.02 0.00 0.13 0.00 0.00 42.46 42.06 1jtp s ILE 51 CO -0.03 0.00 1.06 0.20 -1.91 0.00 0.00 174.94 174.27 1jtp s ASN 52 N 0.27 6.88 0.32 4.50 -0.87 -0.74 -2.35 114.94 122.96 1jtp s ASN 52 Ca -0.00 0.96 -0.29 0.00 -1.57 0.00 0.00 52.86 51.95 1jtp s ASN 52 Cb -0.03 -2.53 -0.11 0.00 -0.02 0.00 0.00 41.25 38.56 1jtp s ASN 52 CO -0.00 -0.90 1.45 -0.04 -2.57 0.00 0.00 177.10 175.04 1jtp s MET 53 N 3.69 4.20 0.00 -0.60 -1.94 -0.62 0.11 119.30 124.14 1jtp s MET 53 Ca 0.45 2.43 0.00 0.00 -1.71 0.00 0.00 55.69 56.86 1jtp s MET 53 Cb -0.12 -3.03 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1jtp s MET 53 CO 0.17 -0.45 0.00 0.41 -0.01 0.00 0.00 175.02 175.14 1jtp n GLY 54 N 1.23 2.00 0.23 -0.03 0.00 -1.26 -4.50 105.19 102.86 1jtp n GLY 54 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1jtp n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jtp h GLY 55 N 0.00 0.44 -0.07 -0.02 0.00 -1.97 -3.47 103.07 97.98 1jtp h GLY 55 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1jtp h GLY 55 CO 0.00 0.32 -0.03 0.61 0.00 0.00 0.00 176.54 177.44 1jtp n GLY 56 N -0.43 0.49 3.76 4.60 0.00 0.12 -5.01 105.19 108.71 1jtp n GLY 56 Ca -0.01 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1jtp n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jtp s ILE 57 N -1.87 3.07 0.23 -0.61 -1.09 -1.25 -4.77 121.20 114.91 1jtp s ILE 57 Ca 0.00 1.01 0.09 0.00 -2.23 0.00 0.00 60.65 59.52 1jtp s ILE 57 Cb 0.00 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.19 1jtp s ILE 57 CO 0.00 0.21 -0.03 0.42 -1.23 0.00 0.00 174.94 174.32 1jtp s THR 58 N -0.76 3.43 0.02 2.92 -4.23 -1.26 -1.79 115.64 113.96 1jtp s THR 58 Ca 0.50 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 1jtp s THR 58 Cb -0.37 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1jtp s THR 58 CO 0.45 -0.27 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.90 1jtp s TYR 59 N -2.08 0.46 0.02 3.99 1.51 -0.46 -4.99 117.35 115.81 1jtp s TYR 59 Ca 0.29 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1jtp s TYR 59 Cb -0.07 -0.29 -0.01 0.00 -0.11 0.00 0.00 41.96 41.47 1jtp s TYR 59 CO 0.19 -0.07 -0.03 0.71 -1.11 0.00 0.00 175.55 175.24 1jtp s TYR 60 N -0.90 0.22 0.43 2.71 2.02 -1.26 -1.40 117.35 119.17 1jtp s TYR 60 Ca -0.07 -0.37 -0.24 0.00 -0.37 0.00 0.00 57.07 56.03 1jtp s TYR 60 Cb -0.07 -0.15 -0.08 0.00 -0.40 0.00 0.00 41.96 41.26 1jtp s TYR 60 CO -0.00 -0.13 1.17 0.00 -1.57 0.00 0.00 175.55 175.02 1jtp s ALA 61 N -1.01 3.05 0.38 3.71 0.00 -0.17 -4.89 121.76 122.83 1jtp s ALA 61 Ca -0.11 0.94 0.10 0.00 0.00 0.00 0.00 51.96 52.89 1jtp s ALA 61 Cb -0.07 -3.38 0.87 0.00 0.00 0.00 0.00 23.12 20.54 1jtp s ALA 61 CO -0.01 -0.60 1.93 -0.44 0.00 0.00 0.00 175.76 176.65 1jtp h ASP 62 N 2.29 0.56 0.07 0.00 3.32 -1.92 -1.84 116.42 118.92 1jtp h ASP 62 Ca -0.49 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1jtp h ASP 62 Cb 1.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1jtp h ASP 62 CO 0.61 0.33 0.00 -1.54 -1.72 0.00 0.00 179.24 176.92 1jtp n SER 63 N -4.50 0.00 0.00 6.45 3.41 -1.26 -2.92 113.62 114.80 1jtp n SER 63 Ca 0.13 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1jtp n SER 63 Cb 0.36 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1jtp n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jtp n VAL 64 N -1.35 0.07 -1.72 -3.33 0.24 -0.71 -5.01 118.33 106.53 1jtp n VAL 64 Ca 0.01 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 1jtp n VAL 64 Cb 0.03 1.48 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 1jtp n VAL 64 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jtp n LYS 65 N -0.03 2.59 -0.25 7.34 5.02 -1.13 -0.84 118.16 130.86 1jtp n LYS 65 Ca 0.00 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 1jtp n LYS 65 Cb 0.20 -2.71 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 1jtp n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jtp n GLY 66 N 2.92 2.06 0.02 0.72 0.00 -1.26 -4.77 105.19 104.88 1jtp n GLY 66 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1jtp n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jtp n ARG 67 N -2.00 0.98 -4.14 1.61 1.74 -0.02 -5.01 116.66 109.81 1jtp n ARG 67 Ca 0.00 0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 1jtp n ARG 67 Cb 0.00 -1.10 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 1jtp n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jtp s PHE 68 N -2.10 2.97 -0.05 -1.55 0.40 -0.50 -0.73 117.98 116.41 1jtp s PHE 68 Ca -0.05 -0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 1jtp s PHE 68 Cb 0.02 -1.49 0.04 0.00 0.51 0.00 0.00 43.02 42.09 1jtp s PHE 68 CO 0.13 0.49 0.11 0.99 0.70 0.00 0.00 175.22 177.64 1jtp s THR 69 N -1.48 -0.08 -0.06 0.64 2.01 -0.02 -4.85 115.64 111.79 1jtp s THR 69 Ca 0.27 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 1jtp s THR 69 Cb -0.11 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1jtp s THR 69 CO 0.19 0.09 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.68 1jtp s ILE 70 N 1.33 4.10 0.19 1.82 2.07 -1.26 -0.08 121.20 129.37 1jtp s ILE 70 Ca -0.07 -0.41 -0.12 0.00 -1.41 0.00 0.00 60.65 58.64 1jtp s ILE 70 Cb -0.12 -2.74 0.00 0.00 0.13 0.00 0.00 42.46 39.73 1jtp s ILE 70 CO -0.05 0.54 0.39 -0.94 -1.91 0.00 0.00 174.94 172.97 1jtp s SER 71 N -1.05 -0.07 0.12 4.50 1.04 -0.49 -4.97 113.70 112.77 1jtp s SER 71 Ca 0.15 -0.78 0.09 0.00 0.48 0.00 0.00 55.95 55.89 1jtp s SER 71 Cb -0.11 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1jtp s SER 71 CO 0.04 -0.99 -0.23 0.00 0.98 0.00 0.00 173.24 173.04 1jtp s GLN 72 N -3.96 1.25 0.05 4.02 -2.07 -1.26 -0.33 119.66 117.36 1jtp s GLN 72 Ca 0.16 -1.26 0.11 0.00 -1.82 0.00 0.00 55.36 52.55 1jtp s GLN 72 Cb 0.01 -1.58 -0.20 0.00 -1.09 0.00 0.00 33.01 30.16 1jtp s GLN 72 CO 0.01 0.36 0.98 0.22 -1.32 0.00 0.00 175.29 175.54 1jtp h ASP 73 N 3.90 0.00 0.00 12.60 1.82 -1.46 -3.47 116.42 129.81 1jtp h ASP 73 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1jtp h ASP 73 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1jtp h ASP 73 CO 0.41 0.95 0.00 -3.20 -1.61 0.00 0.00 179.24 175.79 1jtp n ASN 74 N -3.18 0.00 -0.56 2.28 4.05 -1.24 -4.27 115.26 112.35 1jtp n ASN 74 Ca -0.08 0.00 0.45 0.00 0.45 0.00 0.00 54.58 55.39 1jtp n ASN 74 Cb 0.98 0.00 0.74 0.00 1.23 0.00 0.00 39.78 42.73 1jtp n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1jtp h ALA 75 N 0.00 3.27 0.00 5.20 0.00 -1.92 0.85 119.26 126.66 1jtp h ALA 75 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1jtp h ALA 75 Cb 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1jtp h ALA 75 CO 0.00 -1.87 -0.59 0.36 0.00 0.00 0.00 179.25 177.15 1jtp n LYS 76 N -4.35 1.31 -4.15 0.00 2.85 -1.26 -4.99 118.16 107.56 1jtp n LYS 76 Ca 0.40 -3.08 -0.29 0.00 -1.05 0.00 0.00 58.31 54.29 1jtp n LYS 76 Cb 1.70 -1.34 -0.06 0.00 -0.65 0.00 0.00 35.03 34.68 1jtp n LYS 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jtp n ASN 77 N -0.84 0.16 -4.15 -5.58 3.02 0.29 -4.58 115.26 103.58 1jtp n ASN 77 Ca 0.17 -1.14 -0.21 0.00 -0.03 0.00 0.00 54.58 53.36 1jtp n ASN 77 Cb 0.77 -2.30 -0.14 0.00 -0.61 0.00 0.00 39.78 37.50 1jtp n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jtp s THR 78 N -4.13 1.18 0.15 3.41 2.01 -1.26 -0.42 115.64 116.60 1jtp s THR 78 Ca 0.05 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.14 1jtp s THR 78 Cb -0.03 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1jtp s THR 78 CO 0.95 0.07 -0.13 0.68 -0.69 0.00 0.00 174.62 175.50 1jtp s VAL 79 N -0.77 1.42 0.03 3.82 -7.23 -0.49 -1.06 120.40 116.12 1jtp s VAL 79 Ca 0.03 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 1jtp s VAL 79 Cb -0.08 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 1jtp s VAL 79 CO 0.01 -0.56 -0.15 -0.31 -0.31 0.00 0.00 175.10 173.78 1jtp s TYR 80 N -2.72 1.34 -0.27 2.82 2.02 0.56 -1.38 117.35 119.71 1jtp s TYR 80 Ca 0.15 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1jtp s TYR 80 Cb -0.02 -0.80 0.07 0.00 -0.40 0.00 0.00 41.96 40.81 1jtp s TYR 80 CO 0.03 0.04 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.82 1jtp s LEU 81 N -1.04 3.42 -0.36 -1.29 2.96 -0.05 -1.40 118.68 120.92 1jtp s LEU 81 Ca 0.03 -1.48 -0.18 0.00 -0.22 0.00 0.00 54.13 52.28 1jtp s LEU 81 Cb -0.08 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.16 1jtp s LEU 81 CO 0.01 -0.24 0.48 -0.22 -1.32 0.00 0.00 176.35 175.06 1jtp s LEU 82 N 1.15 4.45 -0.37 -0.68 2.96 0.89 -0.65 118.68 126.43 1jtp s LEU 82 Ca -0.04 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1jtp s LEU 82 Cb -0.19 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.03 1jtp s LEU 82 CO -0.06 -0.49 0.17 -0.04 -1.32 0.00 0.00 176.35 174.61 1jtp s MET 83 N 2.31 2.65 0.34 1.98 -1.94 0.93 -0.84 119.30 124.72 1jtp s MET 83 Ca 0.16 -1.24 0.07 0.00 -1.71 0.00 0.00 55.69 52.97 1jtp s MET 83 Cb -0.16 -3.62 -0.02 0.00 2.01 0.00 0.00 34.83 33.05 1jtp s MET 83 CO 0.13 -0.76 0.38 -0.80 -0.01 0.00 0.00 175.02 173.96 1jtp s ASN 84 N 1.64 5.62 -1.36 3.03 0.01 0.09 -1.58 114.94 122.38 1jtp s ASN 84 Ca 0.01 -0.35 -0.07 0.00 -0.71 0.00 0.00 52.86 51.74 1jtp s ASN 84 Cb -0.20 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.36 1jtp s ASN 84 CO 0.03 -0.39 0.46 -1.20 -1.51 0.00 0.00 177.10 174.49 1jtp n SER 85 N -1.50 -1.43 -4.76 -1.22 7.64 -1.10 -4.67 113.62 106.57 1jtp n SER 85 Ca -0.01 -1.07 -0.38 0.00 1.01 0.00 0.00 58.87 58.42 1jtp n SER 85 Cb 0.59 -2.79 0.01 0.00 -1.01 0.00 0.00 64.21 61.00 1jtp n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jtp s LEU 86 N -6.98 4.02 0.24 -3.43 1.43 -0.89 -4.68 118.68 108.40 1jtp s LEU 86 Ca 0.14 2.58 0.11 0.00 -1.03 0.00 0.00 54.13 55.92 1jtp s LEU 86 Cb -0.06 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 41.97 1jtp s LEU 86 CO 0.91 -1.12 -0.19 -1.61 0.23 0.00 0.00 176.35 174.57 1jtp s GLU 87 N -2.62 1.53 0.57 1.70 2.02 -1.26 -0.14 118.70 120.50 1jtp s GLU 87 Ca 0.64 -1.66 0.26 0.00 0.02 0.00 0.00 54.97 54.23 1jtp s GLU 87 Cb -0.36 -1.57 1.64 0.00 0.10 0.00 0.00 34.13 33.94 1jtp s GLU 87 CO 0.44 0.30 2.19 -1.35 0.02 0.00 0.00 175.26 176.85 1jtp h PRO 88 N 2.55 0.00 0.00 0.39 0.11 -1.90 0.33 132.00 133.49 1jtp h PRO 88 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jtp h PRO 88 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1jtp h PRO 88 CO 0.58 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 1jtp n GLU 89 N -4.03 0.07 0.00 1.05 4.71 -1.26 -1.79 120.64 119.38 1jtp n GLU 89 Ca -0.02 0.39 0.14 0.00 -0.01 0.00 0.00 57.16 57.66 1jtp n GLU 89 Cb 0.15 -1.65 0.60 0.00 -1.01 0.00 0.00 31.44 29.54 1jtp n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1jtp n ASP 90 N -1.78 0.46 -4.73 1.62 8.00 0.11 -4.87 116.55 115.35 1jtp n ASP 90 Ca 0.02 -0.54 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 1jtp n ASP 90 Cb 0.14 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1jtp n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jtp s THR 91 N -2.50 2.35 0.00 -3.53 2.01 -0.74 -4.91 115.64 108.32 1jtp s THR 91 Ca 0.28 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1jtp s THR 91 Cb 0.20 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1jtp s THR 91 CO 0.48 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 1jtp n ALA 92 N 3.28 0.00 -2.63 7.40 0.00 -0.70 -4.62 120.51 123.23 1jtp n ALA 92 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 1jtp n ALA 92 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1jtp n ALA 92 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jtp s ILE 93 N -2.00 5.08 -0.15 0.00 1.01 -0.40 -1.15 121.20 123.59 1jtp s ILE 93 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 1jtp s ILE 93 Cb 0.00 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1jtp s ILE 93 CO 0.00 0.12 0.21 -0.31 0.00 0.00 0.00 174.94 174.96 1jtp s TYR 94 N 2.06 3.50 -0.07 3.97 1.51 0.78 -1.24 117.35 127.85 1jtp s TYR 94 Ca 0.22 0.52 0.05 0.00 -1.01 0.00 0.00 57.07 56.86 1jtp s TYR 94 Cb -0.15 -2.19 -0.01 0.00 -0.11 0.00 0.00 41.96 39.50 1jtp s TYR 94 CO 0.09 0.40 -0.24 0.71 -1.11 0.00 0.00 175.55 175.41 1jtp s TYR 95 N -0.03 2.50 0.24 2.71 2.02 0.13 0.88 117.35 125.79 1jtp s TYR 95 Ca 0.14 -0.79 -0.18 0.00 -0.37 0.00 0.00 57.07 55.88 1jtp s TYR 95 Cb -0.12 -1.64 -0.08 0.00 -0.40 0.00 0.00 41.96 39.71 1jtp s TYR 95 CO 0.03 -0.26 0.71 0.00 -1.57 0.00 0.00 175.55 174.46 1jtp s ALA 97 N -1.65 -0.53 0.04 0.00 0.00 -0.08 -0.98 121.76 118.57 1jtp s ALA 97 Ca 0.46 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 1jtp s ALA 97 Cb -0.15 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1jtp s ALA 97 CO 0.20 -0.57 0.09 0.00 0.00 0.00 0.00 175.76 175.48 1jtp s ALA 98 N -3.84 -0.05 -0.28 0.00 0.00 -0.16 -0.95 121.76 116.48 1jtp s ALA 98 Ca 0.04 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 1jtp s ALA 98 Cb 0.03 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.44 1jtp s ALA 98 CO -0.11 -0.32 -0.01 0.34 0.00 0.00 0.00 175.76 175.67 1jtp s ASP 99 N -2.13 4.72 0.00 0.00 -1.08 -0.43 -1.54 116.67 116.21 1jtp s ASP 99 Ca -0.05 -1.02 0.29 0.00 -0.52 0.00 0.00 52.55 51.25 1jtp s ASP 99 Cb -0.01 -1.73 1.26 0.00 -1.46 0.00 0.00 42.92 40.98 1jtp s ASP 99 CO -0.05 -0.20 1.88 -1.20 0.52 0.00 0.00 175.17 176.13 1jtp n SER 100 N 4.69 0.41 -4.70 -0.34 7.64 -1.26 -0.87 113.62 119.18 1jtp n SER 100 Ca -0.15 -0.52 -0.42 0.00 1.01 0.00 0.00 58.87 58.80 1jtp n SER 100 Cb 0.46 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 1jtp n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jtp s THR 101 N -2.49 3.79 -0.61 0.44 2.01 -1.26 -4.61 115.64 112.92 1jtp s THR 101 Ca 0.29 1.24 -0.19 0.00 0.31 0.00 0.00 61.69 63.33 1jtp s THR 101 Cb 0.20 -3.79 0.10 0.00 0.01 0.00 0.00 72.50 69.02 1jtp s THR 101 CO 0.47 0.05 0.74 -0.63 -0.69 0.00 0.00 174.62 174.56 1jtp s ILE 102 N 1.69 4.78 0.53 1.82 -1.09 -1.26 -4.42 121.20 123.24 1jtp s ILE 102 Ca 0.61 -0.96 -0.21 0.00 -2.23 0.00 0.00 60.65 57.86 1jtp s ILE 102 Cb -0.31 -4.52 -0.05 0.00 -1.58 0.00 0.00 42.46 36.00 1jtp s ILE 102 CO 0.27 -1.17 1.26 -0.31 -1.23 0.00 0.00 174.94 173.77 1jtp s TYR 103 N 2.80 2.49 -0.06 3.97 2.02 -1.26 -4.98 117.35 122.33 1jtp s TYR 103 Ca 0.13 1.46 -0.10 0.00 -0.37 0.00 0.00 57.07 58.19 1jtp s TYR 103 Cb -0.23 -3.59 -0.06 0.00 -0.40 0.00 0.00 41.96 37.68 1jtp s TYR 103 CO 0.06 -2.30 0.43 0.00 -1.57 0.00 0.00 175.55 172.17 1jtp h ALA 104 N 1.50 -0.36 -2.20 3.71 0.00 -2.04 -3.45 119.26 116.41 1jtp h ALA 104 Ca -0.50 -0.08 -0.47 0.00 0.00 0.00 0.00 54.91 53.85 1jtp h ALA 104 Cb 1.28 0.14 0.03 0.00 0.00 0.00 0.00 17.79 19.24 1jtp h ALA 104 CO 0.58 -0.34 -0.03 -1.54 0.00 0.00 0.00 179.25 177.92 1jtp s SER 105 N -5.15 6.04 0.25 0.00 1.04 -1.26 -5.02 113.70 109.60 1jtp s SER 105 Ca -0.06 0.55 -0.31 0.00 0.48 0.00 0.00 55.95 56.62 1jtp s SER 105 Cb 0.01 -1.88 -0.13 0.00 0.10 0.00 0.00 66.02 64.12 1jtp s SER 105 CO 0.17 -0.61 1.45 0.00 0.98 0.00 0.00 173.24 175.23 1jtp n TYR 106 N -2.11 2.31 -4.63 5.02 9.36 -1.26 -5.00 117.16 120.85 1jtp n TYR 106 Ca -0.00 0.39 -0.24 0.00 3.32 0.00 0.00 57.90 61.37 1jtp n TYR 106 Cb 0.57 -2.49 -0.16 0.00 -0.63 0.00 0.00 39.34 36.63 1jtp n TYR 106 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1jtp s TYR 107 N -0.04 1.41 -0.26 2.98 5.04 -1.26 -5.11 117.35 120.11 1jtp s TYR 107 Ca 0.67 -0.43 -0.20 0.00 -2.44 0.00 0.00 57.07 54.68 1jtp s TYR 107 Cb -0.62 -0.99 -0.02 0.00 0.35 0.00 0.00 41.96 40.68 1jtp s TYR 107 CO 0.49 -0.18 0.59 -1.21 -1.34 0.00 0.00 175.55 173.91 1jtp s GLU 108 N 0.27 4.10 0.61 4.97 2.02 -1.26 -4.92 118.70 124.49 1jtp s GLU 108 Ca -0.07 0.48 0.41 0.00 0.02 0.00 0.00 54.97 55.80 1jtp s GLU 108 Cb -0.12 -3.65 2.11 0.00 0.10 0.00 0.00 34.13 32.57 1jtp s GLU 108 CO 0.02 -0.39 2.23 0.00 0.02 0.00 0.00 175.26 177.14 1jtp h GLY 110 N 0.46 0.00 0.90 0.00 0.00 -1.91 -3.14 103.07 99.38 1jtp h GLY 110 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1jtp h GLY 110 CO 0.00 0.00 -0.34 0.84 0.00 0.00 0.00 176.54 177.04 1jtp h HIS 111 N 0.00 -0.89 0.00 5.60 6.17 -1.49 -1.94 115.15 122.59 1jtp h HIS 111 Ca 0.00 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.03 1jtp h HIS 111 Cb 0.50 0.30 -0.00 0.00 2.52 0.00 0.00 27.41 30.72 1jtp h HIS 111 CO 0.00 -0.53 -0.12 0.78 0.71 0.00 0.00 177.93 178.77 1jtp h GLY 112 N -1.08 0.00 0.99 5.26 0.00 -1.72 -1.81 103.07 104.70 1jtp h GLY 112 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1jtp h GLY 112 CO 0.16 0.00 0.31 -2.00 0.00 0.00 0.00 176.54 175.01 1jtp h LEU 113 N 0.00 0.74 -0.02 3.11 5.85 -1.44 0.17 115.31 123.73 1jtp h LEU 113 Ca -0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1jtp h LEU 113 Cb 0.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1jtp h LEU 113 CO 0.02 0.63 -0.54 -1.54 -0.34 0.00 0.00 178.44 176.66 1jtp n SER 114 N -4.57 0.57 -2.71 1.25 3.41 -0.76 -3.87 113.62 106.94 1jtp n SER 114 Ca 0.04 -0.34 -0.31 0.00 -0.26 0.00 0.00 58.87 57.99 1jtp n SER 114 Cb 0.10 0.32 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 1jtp n SER 114 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jtp n THR 115 N -1.47 2.98 -1.01 6.66 -2.24 -0.73 -4.90 114.28 113.56 1jtp n THR 115 Ca 0.06 -4.87 -0.00 0.00 -2.27 0.00 0.00 64.05 56.96 1jtp n THR 115 Cb 0.34 -1.29 -0.00 0.00 -2.10 0.00 0.00 70.33 67.28 1jtp n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jtp n GLY 116 N -0.45 0.43 1.24 3.38 0.00 -1.25 -3.29 105.19 105.25 1jtp n GLY 116 Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1jtp n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jtp n GLY 117 N -2.25 0.65 3.63 -0.02 0.00 0.60 -4.99 105.19 102.82 1jtp n GLY 117 Ca -0.00 -0.37 -0.49 0.00 0.00 0.00 0.00 46.02 45.16 1jtp n GLY 117 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jtp n TYR 118 N -2.62 1.94 0.00 1.61 9.36 -1.16 -1.04 117.16 125.24 1jtp n TYR 118 Ca 0.00 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.65 1jtp n TYR 118 Cb 0.00 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.26 1jtp n TYR 118 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1jtp n GLY 119 N 3.03 3.21 3.55 2.98 0.00 -1.26 -4.19 105.19 112.51 1jtp n GLY 119 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1jtp n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jtp s TYR 120 N -1.85 2.32 -0.30 1.61 1.51 -0.21 -4.44 117.35 115.99 1jtp s TYR 120 Ca 0.00 -0.16 0.23 0.00 -1.01 0.00 0.00 57.07 56.13 1jtp s TYR 120 Cb 0.00 -4.63 0.03 0.00 -0.11 0.00 0.00 41.96 37.26 1jtp s TYR 120 CO 0.00 -2.05 1.06 -0.40 -1.11 0.00 0.00 175.55 173.05 1jtp n ASP 121 N 9.26 0.79 -4.34 2.29 5.68 -0.59 -4.86 116.55 124.78 1jtp n ASP 121 Ca 0.06 0.26 -0.32 0.00 -0.50 0.00 0.00 54.79 54.29 1jtp n ASP 121 Cb 0.49 0.48 -0.15 0.00 -1.14 0.00 0.00 41.12 40.80 1jtp n ASP 121 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1jtp s SER 122 N -5.09 3.46 0.01 -1.12 0.01 -0.84 -5.00 113.70 105.14 1jtp s SER 122 Ca 0.00 -0.40 0.03 0.00 1.31 0.00 0.00 55.95 56.90 1jtp s SER 122 Cb 0.10 -0.93 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 1jtp s SER 122 CO 0.79 0.26 -0.10 0.26 0.41 0.00 0.00 173.24 174.86 1jtp s TRP 123 N -0.26 0.89 0.99 2.43 0.52 -1.26 -0.99 118.94 121.26 1jtp s TRP 123 Ca 0.00 -0.25 -0.16 0.00 0.02 0.00 0.00 56.10 55.71 1jtp s TRP 123 Cb -0.13 -0.55 0.20 0.00 -1.15 0.00 0.00 33.47 31.83 1jtp s TRP 123 CO 0.03 -0.01 1.23 0.20 0.02 0.00 0.00 176.95 178.42 1jtp s GLY 124 N -0.65 1.68 0.08 0.98 0.00 -0.15 -4.79 107.32 104.48 1jtp s GLY 124 Ca 0.01 -0.98 0.27 0.00 0.00 0.00 0.00 44.72 44.02 1jtp s GLY 124 CO 0.00 -0.25 1.78 -1.06 0.00 0.00 0.00 173.10 173.57 1jtp n GLN 125 N -3.94 0.11 0.00 2.90 1.13 -1.26 -4.77 117.38 111.56 1jtp n GLN 125 Ca 0.13 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1jtp n GLN 125 Cb 0.60 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.33 1jtp n GLN 125 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jtp n GLY 126 N 1.42 1.95 3.10 1.08 0.00 -1.26 -5.05 105.19 106.43 1jtp n GLY 126 Ca 0.06 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 1jtp n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jtp s THR 127 N -0.54 1.82 0.21 2.61 2.01 0.25 -4.89 115.64 117.11 1jtp s THR 127 Ca 0.00 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1jtp s THR 127 Cb 0.00 -1.65 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 1jtp s THR 127 CO 0.00 0.50 1.14 -1.58 -0.69 0.00 0.00 174.62 173.99 1jtp s GLN 128 N 1.13 4.56 -0.09 4.92 2.00 -1.26 -0.16 119.66 130.76 1jtp s GLN 128 Ca -0.01 1.82 0.00 0.00 -2.00 0.00 0.00 55.36 55.17 1jtp s GLN 128 Cb -0.14 -3.23 0.02 0.00 0.80 0.00 0.00 33.01 30.46 1jtp s GLN 128 CO -0.07 0.04 -0.08 0.08 -0.50 0.00 0.00 175.29 174.77 1jtp s VAL 129 N -0.45 0.98 -0.16 1.34 1.01 -0.30 -0.92 120.40 121.89 1jtp s VAL 129 Ca 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1jtp s VAL 129 Cb -0.32 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.11 1jtp s VAL 129 CO 0.38 0.35 -0.11 -0.89 0.00 0.00 0.00 175.10 174.82 1jtp s THR 130 N 1.42 1.49 -0.37 3.92 2.01 0.17 -1.73 115.64 122.56 1jtp s THR 130 Ca -0.01 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 1jtp s THR 130 Cb -0.13 -1.49 0.03 0.00 0.01 0.00 0.00 72.50 70.92 1jtp s THR 130 CO -0.05 0.33 0.18 -0.69 -0.69 0.00 0.00 174.62 173.70 1jtp s VAL 131 N 1.50 4.37 0.45 3.82 1.01 -1.26 -1.06 120.40 129.23 1jtp s VAL 131 Ca 0.03 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1jtp s VAL 131 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1jtp s VAL 131 CO -0.09 -0.23 0.74 -0.94 0.00 0.00 0.00 175.10 174.58 1jtp s SER 132 N 1.52 6.29 0.63 3.32 1.04 -0.02 -4.36 113.70 122.11 1jtp s SER 132 Ca 0.01 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 1jtp s SER 132 Cb -0.19 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1jtp s SER 132 CO 0.06 -0.52 1.04 -0.94 0.98 0.00 0.00 173.24 173.86 1jtp s SER 133 N -4.02 6.00 0.94 7.02 1.04 -1.26 -0.50 113.70 122.92 1jtp s SER 133 Ca 0.46 1.51 -0.12 0.00 0.48 0.00 0.00 55.95 58.28 1jtp s SER 133 Cb -0.10 -2.48 0.15 0.00 0.10 0.00 0.00 66.02 63.69 1jtp s SER 133 CO 0.42 -1.02 1.10 -0.13 0.98 0.00 0.00 173.24 174.59 1jtp s ARG 134 N -4.98 0.90 0.00 4.02 0.52 -1.26 -4.74 118.95 113.40 1jtp s ARG 134 Ca 0.57 0.60 0.17 0.00 -0.52 0.00 0.00 55.73 56.55 1jtp s ARG 134 Cb -0.12 -1.78 0.14 0.00 0.52 0.00 0.00 34.95 33.70 1jtp s ARG 134 CO 0.51 -2.43 1.04 0.54 0.02 0.00 0.00 175.30 174.99