#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jt4 h ALA 2 N 0.00 2.03 -0.06 3.04 0.00 -2.08 -2.13 119.26 120.06 2jt4 h ALA 2 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jt4 h ALA 2 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jt4 h ALA 2 CO 0.00 -0.06 0.04 0.43 0.00 0.00 0.00 179.25 179.66 2jt4 n SER 3 N -4.51 4.42 -4.42 0.00 7.64 -1.26 -4.70 113.62 110.80 2jt4 n SER 3 Ca -0.00 -2.31 -0.42 0.00 1.01 0.00 0.00 58.87 57.14 2jt4 n SER 3 Cb 0.17 -0.86 -0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2jt4 n SER 3 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jt4 n LYS 4 N 0.95 3.04 -3.74 1.43 3.00 -0.80 -4.92 118.16 117.12 2jt4 n LYS 4 Ca 0.03 -3.10 -0.38 0.00 -0.00 0.00 0.00 58.31 54.86 2jt4 n LYS 4 Cb 0.53 -3.47 -0.12 0.00 0.00 0.00 0.00 35.03 31.97 2jt4 n LYS 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2jt4 s SER 5 N 4.16 5.31 -1.03 3.14 0.01 -1.26 -5.02 113.70 119.00 2jt4 s SER 5 Ca 0.53 -1.00 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 2jt4 s SER 5 Cb 0.06 -1.89 0.26 0.00 0.21 0.00 0.00 66.02 64.66 2jt4 s SER 5 CO 0.05 -0.29 1.00 -0.54 0.41 0.00 0.00 173.24 173.87 2jt4 s LYS 6 N 1.45 3.94 0.47 12.44 -0.14 -1.26 -4.38 119.74 132.25 2jt4 s LYS 6 Ca -0.00 -3.13 -0.16 0.00 -1.36 0.00 0.00 55.97 51.31 2jt4 s LYS 6 Cb -0.19 -4.42 -0.08 0.00 -1.68 0.00 0.00 37.83 31.46 2jt4 s LYS 6 CO 0.03 -1.25 0.93 0.15 -0.76 0.00 0.00 175.35 174.45 2jt4 s LYS 7 N -1.10 3.98 -0.13 1.68 1.02 -1.09 -4.86 119.74 119.25 2jt4 s LYS 7 Ca 0.28 0.89 -0.04 0.00 0.02 0.00 0.00 55.97 57.13 2jt4 s LYS 7 Cb -0.10 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 2jt4 s LYS 7 CO -0.09 -0.15 0.01 1.03 -0.92 0.00 0.00 175.35 175.23 2jt4 s ARG 8 N -3.77 3.41 -0.01 1.68 0.52 -1.26 0.43 118.95 119.95 2jt4 s ARG 8 Ca 0.58 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 2jt4 s ARG 8 Cb -0.10 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.45 2jt4 s ARG 8 CO 0.26 0.48 -0.06 0.20 0.02 0.00 0.00 175.30 176.20 2jt4 s GLY 9 N -0.25 0.34 -0.32 -3.53 0.00 0.73 -0.41 107.32 103.88 2jt4 s GLY 9 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.53 2jt4 s GLY 9 CO 0.02 -0.05 0.06 -0.42 0.00 0.00 0.00 173.10 172.71 2jt4 s ILE 10 N 0.13 3.46 0.05 0.90 1.01 0.30 -1.99 121.20 125.06 2jt4 s ILE 10 Ca -0.01 -1.23 -0.31 0.00 0.00 0.00 0.00 60.65 59.10 2jt4 s ILE 10 Cb -0.06 -2.97 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 2jt4 s ILE 10 CO -0.00 -0.15 1.42 0.54 0.00 0.00 0.00 174.94 176.75 2jt4 s VAL 11 N 1.34 3.51 -0.16 2.92 0.11 -1.26 -1.11 120.40 125.75 2jt4 s VAL 11 Ca -0.03 0.98 -0.18 0.00 -2.93 0.00 0.00 61.98 59.82 2jt4 s VAL 11 Cb -0.20 -3.63 -0.15 0.00 -1.53 0.00 0.00 36.38 30.87 2jt4 s VAL 11 CO 0.01 0.03 0.26 1.56 -3.33 0.00 0.00 175.10 173.63 2jt4 h GLN 12 N 7.53 0.00 0.00 1.54 1.08 -0.92 -3.24 115.11 121.09 2jt4 h GLN 12 Ca -0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2jt4 h GLN 12 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2jt4 h GLN 12 CO 0.89 0.64 0.00 0.66 -0.95 0.00 0.00 178.83 180.07 2jt4 n TYR 13 N -4.58 -3.60 -4.18 2.96 4.02 -1.26 -4.66 117.16 105.87 2jt4 n TYR 13 Ca -0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.40 2jt4 n TYR 13 Cb 0.43 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.67 2jt4 n TYR 13 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2jt4 s ASP 14 N -1.00 5.50 -0.04 7.72 1.01 -1.26 -2.61 116.67 125.99 2jt4 s ASP 14 Ca 0.00 0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.37 2jt4 s ASP 14 Cb 0.00 -1.55 0.03 0.00 1.01 0.00 0.00 42.92 42.41 2jt4 s ASP 14 CO 0.00 0.30 0.07 0.12 0.21 0.00 0.00 175.17 175.87 2jt4 s PHE 15 N -1.11 -0.01 -0.18 4.23 5.36 0.89 -4.96 117.98 122.22 2jt4 s PHE 15 Ca 0.20 0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 56.40 2jt4 s PHE 15 Cb -0.12 -0.33 -0.03 0.00 -0.34 0.00 0.00 43.02 42.20 2jt4 s PHE 15 CO 0.11 -0.16 0.01 -1.64 -1.46 0.00 0.00 175.22 172.07 2jt4 s MET 16 N 1.71 3.79 -0.18 10.12 -1.94 -1.26 -0.38 119.30 131.16 2jt4 s MET 16 Ca -0.02 -0.45 -0.29 0.00 -1.71 0.00 0.00 55.69 53.23 2jt4 s MET 16 Cb -0.12 -3.07 -0.01 0.00 2.01 0.00 0.00 34.83 33.63 2jt4 s MET 16 CO -0.04 0.21 1.27 0.00 -0.01 0.00 0.00 175.02 176.46 2jt4 s ALA 17 N 0.49 3.64 -0.08 3.03 0.00 -1.26 -4.88 121.76 122.70 2jt4 s ALA 17 Ca -0.00 0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.46 2jt4 s ALA 17 Cb -0.14 -3.64 -0.24 0.00 0.00 0.00 0.00 23.12 19.11 2jt4 s ALA 17 CO 0.02 -1.23 0.54 0.39 0.00 0.00 0.00 175.76 175.48 2jt4 n GLU 18 N 6.68 0.67 -4.00 0.00 -0.58 -1.26 -4.89 120.64 117.26 2jt4 n GLU 18 Ca 0.14 0.27 -0.24 0.00 -0.42 0.00 0.00 57.16 56.92 2jt4 n GLU 18 Cb 0.45 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 29.50 2jt4 n GLU 18 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2jt4 s SER 19 N -6.36 4.58 0.16 1.62 0.15 -1.26 -5.02 113.70 107.58 2jt4 s SER 19 Ca -0.11 -0.97 0.24 0.00 0.70 0.00 0.00 55.95 55.81 2jt4 s SER 19 Cb 0.07 -0.53 0.91 0.00 -1.71 0.00 0.00 66.02 64.77 2jt4 s SER 19 CO 0.81 -0.54 1.75 1.67 1.20 0.00 0.00 173.24 178.12 2jt4 n GLN 20 N -1.29 0.16 -0.01 5.44 -0.06 -1.26 -2.91 117.38 117.45 2jt4 n GLN 20 Ca -0.00 0.24 -0.13 0.00 -2.00 0.00 0.00 57.00 55.11 2jt4 n GLN 20 Cb 0.64 -1.73 -0.00 0.00 -4.06 0.00 0.00 30.24 25.08 2jt4 n GLN 20 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 2jt4 h ASP 21 N 0.00 0.75 -3.50 1.69 3.32 -1.95 -3.45 116.42 113.27 2jt4 h ASP 21 Ca 0.00 -0.44 -0.36 0.00 0.02 0.00 0.00 57.03 56.25 2jt4 h ASP 21 Cb 0.52 -0.22 0.15 0.00 0.22 0.00 0.00 39.33 40.01 2jt4 h ASP 21 CO 0.00 1.20 0.33 -0.62 -1.72 0.00 0.00 179.24 178.43 2jt4 n GLU 22 N -3.93 -1.31 -3.76 3.56 4.71 -1.14 -0.27 120.64 118.49 2jt4 n GLU 22 Ca -0.05 -1.71 -0.15 0.00 -0.01 0.00 0.00 57.16 55.24 2jt4 n GLU 22 Cb 0.67 -1.19 -0.16 0.00 -1.01 0.00 0.00 31.44 29.76 2jt4 n GLU 22 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2jt4 s LEU 23 N 0.00 0.99 -0.45 -4.62 2.96 -1.14 -4.30 118.68 112.13 2jt4 s LEU 23 Ca 0.63 0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 54.35 2jt4 s LEU 23 Cb -0.02 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.68 2jt4 s LEU 23 CO 0.45 -0.14 1.54 -0.89 -1.32 0.00 0.00 176.35 176.00 2jt4 s THR 24 N 1.11 3.73 -0.16 3.68 2.01 -1.26 -4.28 115.64 120.47 2jt4 s THR 24 Ca -0.09 0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.62 2jt4 s THR 24 Cb -0.13 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.29 2jt4 s THR 24 CO -0.04 -0.79 -0.18 0.27 -0.69 0.00 0.00 174.62 173.20 2jt4 s ILE 25 N 6.25 1.83 0.26 1.82 -4.36 0.49 -4.93 121.20 122.55 2jt4 s ILE 25 Ca 0.64 -0.80 -0.04 0.00 -0.26 0.00 0.00 60.65 60.18 2jt4 s ILE 25 Cb -0.15 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 2jt4 s ILE 25 CO 0.30 0.50 0.51 -0.54 0.24 0.00 0.00 174.94 175.96 2jt4 s LYS 26 N 1.30 3.62 -0.11 0.37 1.02 -1.26 -0.07 119.74 124.60 2jt4 s LYS 26 Ca 0.03 -0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.66 2jt4 s LYS 26 Cb -0.13 -2.69 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 2jt4 s LYS 26 CO -0.10 0.27 2.05 0.45 -0.92 0.00 0.00 175.35 177.10 2jt4 n SER 27 N -0.78 3.51 0.00 2.83 2.88 -1.07 -0.83 113.62 120.16 2jt4 n SER 27 Ca -0.02 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 2jt4 n SER 27 Cb 0.54 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2jt4 n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jt4 n GLY 28 N 5.10 0.84 3.84 0.46 0.00 -1.22 -5.03 105.19 109.18 2jt4 n GLY 28 Ca 0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 2jt4 n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jt4 s ASP 29 N -1.50 3.71 -0.14 1.61 -1.08 -0.01 -5.01 116.67 114.24 2jt4 s ASP 29 Ca 0.00 0.77 -0.01 0.00 -0.52 0.00 0.00 52.55 52.79 2jt4 s ASP 29 Cb 0.00 -1.21 0.04 0.00 -1.46 0.00 0.00 42.92 40.29 2jt4 s ASP 29 CO 0.00 -2.41 -0.04 -0.75 0.52 0.00 0.00 175.17 172.49 2jt4 s LYS 30 N -5.50 1.30 0.03 4.34 2.20 -1.26 -4.06 119.74 116.79 2jt4 s LYS 30 Ca 0.65 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.94 2jt4 s LYS 30 Cb -0.11 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.39 2jt4 s LYS 30 CO 0.52 -0.39 -0.16 0.14 -0.36 0.00 0.00 175.35 175.09 2jt4 s VAL 31 N 1.71 1.29 -0.09 4.02 -7.23 -0.84 -2.27 120.40 116.98 2jt4 s VAL 31 Ca 0.02 -0.98 -0.14 0.00 -1.81 0.00 0.00 61.98 59.07 2jt4 s VAL 31 Cb -0.14 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 2jt4 s VAL 31 CO -0.08 0.13 0.34 -0.31 -0.31 0.00 0.00 175.10 174.87 2jt4 s TYR 32 N -0.73 3.59 -0.41 2.82 2.02 0.47 -0.19 117.35 124.91 2jt4 s TYR 32 Ca 0.04 0.78 -0.19 0.00 -0.37 0.00 0.00 57.07 57.32 2jt4 s TYR 32 Cb -0.08 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.21 2jt4 s TYR 32 CO 0.01 0.45 0.58 0.42 -1.57 0.00 0.00 175.55 175.44 2jt4 s ILE 33 N -0.31 4.92 -0.13 2.71 1.01 0.17 0.27 121.20 129.84 2jt4 s ILE 33 Ca 0.20 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.82 2jt4 s ILE 33 Cb -0.15 -4.11 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 2jt4 s ILE 33 CO 0.08 -0.45 0.36 -0.07 0.00 0.00 0.00 174.94 174.86 2jt4 h LEU 34 N 9.42 0.00 -7.78 2.97 3.38 -0.65 -2.89 115.31 119.76 2jt4 h LEU 34 Ca -0.26 -0.51 -0.66 0.00 0.09 0.00 0.00 57.88 56.54 2jt4 h LEU 34 Cb 1.11 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.47 2jt4 h LEU 34 CO 0.84 0.85 -0.77 -1.81 0.09 0.00 0.00 178.44 177.65 2jt4 s ASP 35 N -6.01 4.51 0.06 -0.43 1.11 -1.23 -4.73 116.67 109.95 2jt4 s ASP 35 Ca -0.13 -1.65 0.22 0.00 0.18 0.00 0.00 52.55 51.17 2jt4 s ASP 35 Cb -0.01 -1.54 -0.19 0.00 1.07 0.00 0.00 42.92 42.25 2jt4 s ASP 35 CO 0.39 -0.26 0.71 -0.90 1.18 0.00 0.00 175.17 176.29 2jt4 n ASP 36 N 4.39 0.38 -0.33 0.27 5.75 -1.26 -1.94 116.55 123.81 2jt4 n ASP 36 Ca -0.08 0.15 0.09 0.00 -0.01 0.00 0.00 54.79 54.94 2jt4 n ASP 36 Cb 0.42 1.28 0.17 0.00 -1.03 0.00 0.00 41.12 41.95 2jt4 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2jt4 n LYS 37 N -2.47 1.97 -0.13 0.11 5.02 -1.26 -4.49 118.16 116.92 2jt4 n LYS 37 Ca -0.03 -2.55 -0.09 0.00 -2.02 0.00 0.00 58.31 53.61 2jt4 n LYS 37 Cb 0.59 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 2jt4 n LYS 37 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jt4 h LYS 38 N 0.62 0.55 0.00 1.97 3.64 -1.85 -3.43 116.57 118.06 2jt4 h LYS 38 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jt4 h LYS 38 Cb 1.08 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2jt4 h LYS 38 CO 0.07 0.48 0.00 0.43 -2.27 0.00 0.00 179.45 178.16 2jt4 n SER 39 N -4.71 0.00 0.02 4.20 7.64 -1.26 -5.11 113.62 114.40 2jt4 n SER 39 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jt4 n SER 39 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2jt4 n SER 39 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jt4 n LYS 40 N -0.89 0.00 -0.12 1.43 3.00 -1.26 -4.99 118.16 115.32 2jt4 n LYS 40 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.05 2jt4 n LYS 40 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 2jt4 n LYS 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jt4 n ASP 41 N -2.57 1.95 -4.60 3.14 -0.08 -1.26 -4.85 116.55 108.27 2jt4 n ASP 41 Ca 0.00 0.29 -0.43 0.00 -1.51 0.00 0.00 54.79 53.14 2jt4 n ASP 41 Cb 0.00 -0.80 -0.02 0.00 2.34 0.00 0.00 41.12 42.63 2jt4 n ASP 41 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 2jt4 s TRP 42 N -2.48 2.13 0.23 -0.67 0.52 -1.26 0.05 118.94 117.46 2jt4 s TRP 42 Ca -0.35 0.64 0.07 0.00 0.02 0.00 0.00 56.10 56.48 2jt4 s TRP 42 Cb 0.12 -4.24 -0.04 0.00 -1.15 0.00 0.00 33.47 28.16 2jt4 s TRP 42 CO 0.54 -2.40 0.10 -1.58 0.02 0.00 0.00 176.95 173.63 2jt4 s TRP 43 N 6.14 2.97 -0.55 -1.98 0.51 0.10 -4.17 118.94 121.96 2jt4 s TRP 43 Ca 0.69 -0.13 -0.17 0.00 -2.12 0.00 0.00 56.10 54.38 2jt4 s TRP 43 Cb -0.17 -1.36 0.12 0.00 -0.81 0.00 0.00 33.47 31.24 2jt4 s TRP 43 CO 0.33 0.54 0.55 -1.64 -0.51 0.00 0.00 176.95 176.22 2jt4 s MET 44 N -3.51 3.01 0.08 4.98 -1.94 -0.82 -0.26 119.30 120.84 2jt4 s MET 44 Ca 0.31 -1.57 -0.00 0.00 -1.71 0.00 0.00 55.69 52.72 2jt4 s MET 44 Cb -0.08 -4.28 -0.04 0.00 2.01 0.00 0.00 34.83 32.44 2jt4 s MET 44 CO 0.22 -1.37 0.23 0.00 -0.01 0.00 0.00 175.02 174.10 2jt4 s GLN 46 N -2.62 1.86 0.11 0.00 0.74 0.14 -0.36 119.66 119.53 2jt4 s GLN 46 Ca 0.35 -0.43 -0.31 0.00 0.05 0.00 0.00 55.36 55.03 2jt4 s GLN 46 Cb -0.13 -1.65 -0.09 0.00 1.10 0.00 0.00 33.01 32.24 2jt4 s GLN 46 CO 0.28 -0.10 1.54 -0.51 -0.55 0.00 0.00 175.29 175.95 2jt4 s LEU 47 N 1.10 4.36 0.42 3.68 1.43 0.12 -0.40 118.68 129.40 2jt4 s LEU 47 Ca -0.06 2.46 0.12 0.00 -1.03 0.00 0.00 54.13 55.62 2jt4 s LEU 47 Cb -0.14 -3.58 0.91 0.00 0.03 0.00 0.00 46.19 43.41 2jt4 s LEU 47 CO -0.02 -0.80 1.97 0.58 0.23 0.00 0.00 176.35 178.31 2jt4 h VAL 48 N 4.42 1.14 0.61 -1.59 2.07 -1.79 0.60 116.25 121.71 2jt4 h VAL 48 Ca -0.42 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2jt4 h VAL 48 Cb 1.20 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2jt4 h VAL 48 CO 0.91 0.19 -0.30 0.44 0.02 0.00 0.00 177.57 178.82 2jt4 h ASP 49 N 0.14 -0.73 0.00 0.57 3.32 -1.90 -3.36 116.42 114.45 2jt4 h ASP 49 Ca 0.03 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2jt4 h ASP 49 Cb 0.30 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2jt4 h ASP 49 CO 0.02 -0.51 -0.86 -1.20 -1.72 0.00 0.00 179.24 174.97 2jt4 n SER 50 N -4.28 1.21 -0.17 6.45 7.64 -1.24 -5.00 113.62 118.23 2jt4 n SER 50 Ca -0.10 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.30 2jt4 n SER 50 Cb 0.33 1.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.71 2jt4 n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jt4 n GLY 51 N 1.48 0.97 3.63 0.23 0.00 0.20 -5.05 105.19 106.65 2jt4 n GLY 51 Ca 0.01 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2jt4 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jt4 s LYS 52 N -3.07 4.15 0.11 1.61 1.02 -1.21 -4.78 119.74 117.57 2jt4 s LYS 52 Ca 0.00 0.76 0.07 0.00 0.02 0.00 0.00 55.97 56.81 2jt4 s LYS 52 Cb 0.00 -3.65 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 2jt4 s LYS 52 CO 0.00 -0.47 -0.06 -1.12 -0.92 0.00 0.00 175.35 172.78 2jt4 s SER 53 N 1.40 4.61 0.10 2.83 0.01 -1.26 0.16 113.70 121.55 2jt4 s SER 53 Ca 0.31 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 56.97 2jt4 s SER 53 Cb -0.15 -0.95 0.08 0.00 0.21 0.00 0.00 66.02 65.20 2jt4 s SER 53 CO 0.08 0.17 1.04 -0.83 0.41 0.00 0.00 173.24 174.10 2jt4 s GLY 54 N -2.33 -0.29 -0.05 3.44 0.00 0.51 -4.91 107.32 103.69 2jt4 s GLY 54 Ca 0.23 0.34 -0.28 0.00 0.00 0.00 0.00 44.72 45.02 2jt4 s GLY 54 CO 0.16 0.06 0.90 1.08 0.00 0.00 0.00 173.10 175.29 2jt4 s LEU 55 N -2.91 4.31 0.02 0.66 2.01 0.63 -1.07 118.68 122.33 2jt4 s LEU 55 Ca 0.12 1.46 0.00 0.00 0.01 0.00 0.00 54.13 55.73 2jt4 s LEU 55 Cb 0.00 -3.41 -0.02 0.00 0.01 0.00 0.00 46.19 42.78 2jt4 s LEU 55 CO 0.00 -0.27 -0.04 0.68 1.01 0.00 0.00 176.35 177.73 2jt4 s VAL 56 N 1.26 0.19 0.36 -1.59 -7.23 0.64 -2.87 120.40 111.15 2jt4 s VAL 56 Ca 0.46 -0.91 -0.28 0.00 -1.81 0.00 0.00 61.98 59.44 2jt4 s VAL 56 Cb -0.19 -0.32 -0.11 0.00 0.56 0.00 0.00 36.38 36.32 2jt4 s VAL 56 CO 0.22 -0.46 1.45 -2.84 -0.31 0.00 0.00 175.10 173.16 2jt4 s PRO 57 N -1.43 4.17 0.34 4.82 0.02 -1.26 0.02 135.00 141.69 2jt4 s PRO 57 Ca -0.14 2.49 0.27 0.00 0.02 0.00 0.00 61.00 63.63 2jt4 s PRO 57 Cb -0.10 -3.00 1.02 0.00 0.02 0.00 0.00 34.50 32.45 2jt4 s PRO 57 CO -0.01 -0.46 1.79 0.00 -0.33 0.00 0.00 177.00 177.99 2jt4 h ALA 58 N 3.23 1.00 0.00 -1.55 0.00 -0.71 -2.30 119.26 118.92 2jt4 h ALA 58 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2jt4 h ALA 58 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jt4 h ALA 58 CO 0.65 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.86 2jt4 h GLN 59 N 0.00 0.00 0.00 0.00 1.08 -1.91 -2.77 115.11 111.51 2jt4 h GLN 59 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jt4 h GLN 59 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2jt4 h GLN 59 CO 0.00 0.00 -0.78 1.19 -0.95 0.00 0.00 178.83 178.29 2jt4 n PHE 60 N -2.54 0.00 -3.66 2.96 3.72 -0.87 -4.87 117.46 112.20 2jt4 n PHE 60 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2jt4 n PHE 60 Cb 0.11 -0.07 -0.12 0.00 -0.94 0.00 0.00 39.48 38.47 2jt4 n PHE 60 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2jt4 s ILE 61 N -1.99 4.81 -0.38 4.37 -1.09 -1.05 -0.17 121.20 125.71 2jt4 s ILE 61 Ca -0.00 -0.05 -0.20 0.00 -2.23 0.00 0.00 60.65 58.17 2jt4 s ILE 61 Cb 0.04 -3.30 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 2jt4 s ILE 61 CO 0.24 0.26 0.59 -0.70 -1.23 0.00 0.00 174.94 174.10 2jt4 s GLU 62 N 1.68 3.50 0.03 2.79 2.56 -0.27 -4.86 118.70 124.14 2jt4 s GLU 62 Ca 0.06 -0.19 -0.30 0.00 0.00 0.00 0.00 54.97 54.55 2jt4 s GLU 62 Cb -0.16 -3.86 -0.08 0.00 2.00 0.00 0.00 34.13 32.02 2jt4 s GLU 62 CO 0.07 -0.81 1.88 -2.14 -0.56 0.00 0.00 175.26 173.71 2jt4 s PRO 63 N 2.63 4.15 -0.76 4.30 0.02 -1.26 -0.53 135.00 143.54 2jt4 s PRO 63 Ca 0.22 2.53 -0.26 0.00 0.02 0.00 0.00 61.00 63.50 2jt4 s PRO 63 Cb -0.15 -4.04 0.04 0.00 0.02 0.00 0.00 34.50 30.37 2jt4 s PRO 63 CO 0.16 -0.91 1.27 0.08 -0.33 0.00 0.00 177.00 177.26 2jt4 s VAL 64 N 4.09 3.79 -2.13 3.83 1.01 0.46 -3.72 120.40 127.73 2jt4 s VAL 64 Ca 0.84 0.23 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2jt4 s VAL 64 Cb -0.41 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.05 2jt4 s VAL 64 CO 0.38 -1.83 0.00 -1.14 0.00 0.00 0.00 175.10 172.51 2jt4 n ARG 65 N 9.18 -1.47 -3.49 2.72 3.00 -1.26 -4.69 116.66 120.65 2jt4 n ARG 65 Ca 0.05 1.19 -0.37 0.00 -0.00 0.00 0.00 57.85 58.73 2jt4 n ARG 65 Cb 0.49 -5.61 -0.07 0.00 0.00 0.00 0.00 32.46 27.27 2jt4 n ARG 65 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2jt4 s ASP 66 N -2.67 6.56 -0.65 6.15 2.15 -1.24 -5.01 116.67 121.95 2jt4 s ASP 66 Ca 0.00 0.66 -0.27 0.00 0.43 0.00 0.00 52.55 53.37 2jt4 s ASP 66 Cb 0.00 -2.22 0.02 0.00 -0.30 0.00 0.00 42.92 40.42 2jt4 s ASP 66 CO 0.00 0.12 1.38 -1.59 -0.17 0.00 0.00 175.17 174.91 2jt4 s LYS 67 N 0.20 3.20 -0.01 4.34 -2.85 -1.26 -4.90 119.74 118.46 2jt4 s LYS 67 Ca 0.20 0.14 -0.00 0.00 -1.00 0.00 0.00 55.97 55.30 2jt4 s LYS 67 Cb -0.14 -4.17 0.01 0.00 -2.06 0.00 0.00 37.83 31.47 2jt4 s LYS 67 CO 0.07 -2.10 0.02 0.15 0.10 0.00 0.00 175.35 173.59 2jt4 s LYS 68 N 5.72 -0.00 0.35 1.78 1.02 -1.26 -5.16 119.74 122.18 2jt4 s LYS 68 Ca 0.45 0.08 0.05 0.00 0.02 0.00 0.00 55.97 56.57 2jt4 s LYS 68 Cb -0.09 -0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.10 2jt4 s LYS 68 CO 0.20 -0.06 0.20 -1.01 -0.92 0.00 0.00 175.35 173.75 2jt4 s HIS 69 N 0.39 1.71 0.15 3.18 3.76 -1.26 -5.04 115.29 118.19 2jt4 s HIS 69 Ca -0.03 -1.46 -0.03 0.00 -0.15 0.00 0.00 55.06 53.38 2jt4 s HIS 69 Cb -0.05 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 2jt4 s HIS 69 CO -0.01 -0.59 1.36 1.15 -0.85 0.00 0.00 174.74 175.80 2jt4 h THR 70 N 2.05 1.39 0.00 1.30 2.02 -2.06 -3.56 112.91 114.05 2jt4 h THR 70 Ca -0.31 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.59 2jt4 h THR 70 Cb 1.25 2.26 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 2jt4 h THR 70 CO 0.47 0.69 0.00 -0.62 0.37 0.00 0.00 175.52 176.43