#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jt4 n ALA 2 N 0.00 -0.42 -1.80 -5.12 0.00 -1.26 -4.24 120.51 107.66 2jt4 n ALA 2 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 2jt4 n ALA 2 Cb 0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 19.45 17.41 2jt4 n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jt4 n SER 3 N -1.46 -5.71 -1.70 0.00 2.88 -1.26 -4.98 113.62 101.39 2jt4 n SER 3 Ca -0.21 1.03 -0.00 0.00 -1.33 0.00 0.00 58.87 58.35 2jt4 n SER 3 Cb 0.66 -3.40 -0.00 0.00 -0.75 0.00 0.00 64.21 60.72 2jt4 n SER 3 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jt4 n LYS 4 N 1.03 -2.42 -3.95 -1.46 4.81 -1.26 -5.06 118.16 109.85 2jt4 n LYS 4 Ca -0.03 2.03 -0.28 0.00 -0.87 0.00 0.00 58.31 59.16 2jt4 n LYS 4 Cb 0.04 -2.57 -0.17 0.00 0.02 0.00 0.00 35.03 32.35 2jt4 n LYS 4 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2jt4 s SER 5 N -0.29 2.50 0.45 3.14 0.01 -1.26 -4.74 113.70 113.51 2jt4 s SER 5 Ca -0.02 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 56.60 2jt4 s SER 5 Cb 0.00 -1.00 -0.10 0.00 0.21 0.00 0.00 66.02 65.13 2jt4 s SER 5 CO 0.06 -0.10 0.97 -0.54 0.41 0.00 0.00 173.24 174.04 2jt4 s LYS 6 N 1.60 4.13 0.27 12.44 -0.14 -1.26 -4.96 119.74 131.81 2jt4 s LYS 6 Ca 0.04 1.12 -0.26 0.00 -1.36 0.00 0.00 55.97 55.51 2jt4 s LYS 6 Cb -0.13 -2.16 -0.09 0.00 -1.68 0.00 0.00 37.83 33.77 2jt4 s LYS 6 CO -0.09 -0.12 0.88 0.15 -0.76 0.00 0.00 175.35 175.41 2jt4 s LYS 7 N -3.34 4.59 -0.10 1.68 1.02 -1.25 -4.84 119.74 117.50 2jt4 s LYS 7 Ca 0.62 1.27 -0.11 0.00 0.02 0.00 0.00 55.97 57.77 2jt4 s LYS 7 Cb -0.10 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2jt4 s LYS 7 CO 0.17 0.39 0.25 1.03 -0.92 0.00 0.00 175.35 176.28 2jt4 s ARG 8 N -1.72 3.82 0.01 1.68 0.52 -1.26 -0.70 118.95 121.30 2jt4 s ARG 8 Ca 0.45 0.07 0.01 0.00 -0.52 0.00 0.00 55.73 55.74 2jt4 s ARG 8 Cb -0.21 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 2jt4 s ARG 8 CO 0.25 0.60 -0.03 0.20 0.02 0.00 0.00 175.30 176.34 2jt4 s GLY 9 N -0.60 0.17 -0.35 -3.53 0.00 0.13 -0.60 107.32 102.55 2jt4 s GLY 9 Ca 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 2jt4 s GLY 9 CO 0.06 -0.31 0.13 -0.42 0.00 0.00 0.00 173.10 172.56 2jt4 s ILE 10 N -0.59 3.99 0.25 0.90 1.09 0.31 0.15 121.20 127.31 2jt4 s ILE 10 Ca -0.05 -1.05 -0.30 0.00 -1.10 0.00 0.00 60.65 58.15 2jt4 s ILE 10 Cb -0.04 -3.25 -0.10 0.00 -1.06 0.00 0.00 42.46 38.01 2jt4 s ILE 10 CO -0.00 -0.19 1.36 0.54 -0.10 0.00 0.00 174.94 176.55 2jt4 s VAL 11 N 1.44 2.89 -0.69 2.92 0.11 -0.84 -1.34 120.40 124.89 2jt4 s VAL 11 Ca -0.01 0.77 0.20 0.00 -2.93 0.00 0.00 61.98 60.02 2jt4 s VAL 11 Cb -0.19 -3.49 -0.25 0.00 -1.53 0.00 0.00 36.38 30.92 2jt4 s VAL 11 CO 0.04 0.13 0.75 0.00 -3.33 0.00 0.00 175.10 172.69 2jt4 n GLN 12 N 2.10 0.39 -4.74 1.54 1.13 0.34 -0.85 117.38 117.29 2jt4 n GLN 12 Ca 0.05 -0.06 -0.28 0.00 -1.94 0.00 0.00 57.00 54.77 2jt4 n GLN 12 Cb 0.42 -1.47 -0.14 0.00 0.11 0.00 0.00 30.24 29.15 2jt4 n GLN 12 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2jt4 s TYR 13 N -3.07 2.14 -0.31 1.08 2.02 -1.23 -4.73 117.35 113.25 2jt4 s TYR 13 Ca 0.03 -0.40 -0.28 0.00 -0.37 0.00 0.00 57.07 56.05 2jt4 s TYR 13 Cb 0.15 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2jt4 s TYR 13 CO 0.85 0.14 1.04 -0.51 -1.57 0.00 0.00 175.55 175.50 2jt4 s ASP 14 N -1.34 6.93 -0.21 2.29 1.01 -1.26 -4.08 116.67 120.01 2jt4 s ASP 14 Ca 0.10 1.05 -0.04 0.00 0.71 0.00 0.00 52.55 54.38 2jt4 s ASP 14 Cb -0.10 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 2jt4 s ASP 14 CO 0.03 -0.82 -0.05 0.12 0.21 0.00 0.00 175.17 174.65 2jt4 s PHE 15 N 3.52 2.95 -0.51 4.23 5.36 -0.73 -4.98 117.98 127.80 2jt4 s PHE 15 Ca 0.44 -0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 55.38 2jt4 s PHE 15 Cb -0.13 -2.08 0.12 0.00 -0.34 0.00 0.00 43.02 40.60 2jt4 s PHE 15 CO 0.14 -0.50 0.44 1.41 -1.46 0.00 0.00 175.22 175.25 2jt4 s MET 16 N 1.33 2.83 0.08 10.12 -2.45 -1.26 -1.01 119.30 128.95 2jt4 s MET 16 Ca 0.04 -1.69 -0.31 0.00 -1.25 0.00 0.00 55.69 52.48 2jt4 s MET 16 Cb -0.14 -4.17 -0.09 0.00 1.25 0.00 0.00 34.83 31.68 2jt4 s MET 16 CO -0.02 -1.26 1.64 0.00 1.05 0.00 0.00 175.02 176.43 2jt4 s ALA 17 N 1.53 3.70 -0.17 4.11 0.00 -1.26 -4.87 121.76 124.80 2jt4 s ALA 17 Ca 0.04 1.24 0.16 0.00 0.00 0.00 0.00 51.96 53.40 2jt4 s ALA 17 Cb -0.28 -3.69 -0.23 0.00 0.00 0.00 0.00 23.12 18.92 2jt4 s ALA 17 CO 0.02 -1.06 0.08 -1.91 0.00 0.00 0.00 175.76 172.89 2jt4 n GLU 18 N 5.36 1.02 -3.70 0.00 2.13 -1.26 -4.85 120.64 119.33 2jt4 n GLU 18 Ca 0.16 -0.02 -0.32 0.00 0.66 0.00 0.00 57.16 57.64 2jt4 n GLU 18 Cb 0.40 -1.47 -0.05 0.00 0.27 0.00 0.00 31.44 30.60 2jt4 n GLU 18 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2jt4 s SER 19 N -5.20 6.50 0.14 4.31 0.01 -1.26 -4.98 113.70 113.22 2jt4 s SER 19 Ca -0.09 0.57 0.22 0.00 1.31 0.00 0.00 55.95 57.97 2jt4 s SER 19 Cb 0.06 -2.09 0.88 0.00 0.21 0.00 0.00 66.02 65.08 2jt4 s SER 19 CO 0.75 0.11 1.68 0.00 0.41 0.00 0.00 173.24 176.19 2jt4 n GLN 20 N 0.38 0.12 0.06 12.44 6.02 -1.26 -1.51 117.38 133.64 2jt4 n GLN 20 Ca -0.05 0.27 -0.03 0.00 -0.01 0.00 0.00 57.00 57.19 2jt4 n GLN 20 Cb 0.52 -1.70 0.22 0.00 1.02 0.00 0.00 30.24 30.30 2jt4 n GLN 20 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jt4 h ASP 21 N 0.00 0.36 -3.39 1.08 5.19 -1.96 -3.46 116.42 114.24 2jt4 h ASP 21 Ca 0.00 -0.13 -0.46 0.00 -0.62 0.00 0.00 57.03 55.82 2jt4 h ASP 21 Cb 0.42 -0.10 0.10 0.00 0.18 0.00 0.00 39.33 39.93 2jt4 h ASP 21 CO 0.00 0.67 0.24 -1.61 -3.12 0.00 0.00 179.24 175.42 2jt4 s GLU 22 N -4.32 1.72 -0.09 3.56 2.02 -0.57 -0.27 118.70 120.75 2jt4 s GLU 22 Ca -0.06 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.42 2jt4 s GLU 22 Cb 0.14 -2.14 0.02 0.00 0.10 0.00 0.00 34.13 32.24 2jt4 s GLU 22 CO 0.78 -1.54 -0.09 -1.17 0.02 0.00 0.00 175.26 173.26 2jt4 s LEU 23 N -5.35 1.31 -0.59 1.80 2.96 -0.95 -4.43 118.68 113.44 2jt4 s LEU 23 Ca 0.65 -0.28 -0.28 0.00 -0.22 0.00 0.00 54.13 54.00 2jt4 s LEU 23 Cb -0.08 -0.79 0.03 0.00 0.50 0.00 0.00 46.19 45.84 2jt4 s LEU 23 CO 0.46 -0.07 1.26 -0.89 -1.32 0.00 0.00 176.35 175.79 2jt4 s THR 24 N 1.34 3.93 0.18 3.68 2.01 -1.26 -4.22 115.64 121.31 2jt4 s THR 24 Ca -0.02 0.81 0.10 0.00 0.31 0.00 0.00 61.69 62.89 2jt4 s THR 24 Cb -0.14 -4.67 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 2jt4 s THR 24 CO -0.04 -1.34 -0.20 0.27 -0.69 0.00 0.00 174.62 172.62 2jt4 s ILE 25 N 5.29 2.03 0.13 1.82 -4.36 -0.18 -4.94 121.20 120.99 2jt4 s ILE 25 Ca 0.45 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.89 2jt4 s ILE 25 Cb -0.08 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.62 2jt4 s ILE 25 CO 0.25 -0.26 0.09 -0.54 0.24 0.00 0.00 174.94 174.71 2jt4 s LYS 26 N -2.82 2.82 -0.15 0.37 1.02 -1.26 -1.78 119.74 117.94 2jt4 s LYS 26 Ca 0.18 -0.83 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 2jt4 s LYS 26 Cb -0.06 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2jt4 s LYS 26 CO 0.08 0.51 1.87 0.45 -0.92 0.00 0.00 175.35 177.34 2jt4 s SER 27 N -2.79 6.15 0.00 2.83 0.15 -1.26 -1.76 113.70 117.02 2jt4 s SER 27 Ca 0.30 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.92 2jt4 s SER 27 Cb -0.11 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2jt4 s SER 27 CO 0.22 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.88 2jt4 n GLY 28 N 4.92 1.13 3.72 9.45 0.00 -0.03 -5.00 105.19 119.39 2jt4 n GLY 28 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2jt4 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jt4 s ASP 29 N -1.86 7.02 -0.12 1.61 1.01 -0.72 -4.91 116.67 118.70 2jt4 s ASP 29 Ca 0.00 1.23 -0.24 0.00 0.71 0.00 0.00 52.55 54.25 2jt4 s ASP 29 Cb 0.00 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 2jt4 s ASP 29 CO 0.00 -0.09 0.75 -0.54 0.21 0.00 0.00 175.17 175.50 2jt4 s LYS 30 N 0.64 4.37 0.05 8.23 1.02 -1.26 -1.98 119.74 130.80 2jt4 s LYS 30 Ca 0.38 0.91 0.06 0.00 0.02 0.00 0.00 55.97 57.34 2jt4 s LYS 30 Cb -0.18 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2jt4 s LYS 30 CO 0.19 -0.11 -0.17 0.14 -0.92 0.00 0.00 175.35 174.48 2jt4 s VAL 31 N 1.41 1.33 -0.24 3.17 -7.23 0.12 -0.79 120.40 118.17 2jt4 s VAL 31 Ca 0.37 -1.12 -0.18 0.00 -1.81 0.00 0.00 61.98 59.25 2jt4 s VAL 31 Cb -0.17 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2jt4 s VAL 31 CO 0.16 0.05 0.49 -0.31 -0.31 0.00 0.00 175.10 175.17 2jt4 s TYR 32 N -0.89 3.31 -0.41 2.82 2.02 0.12 -0.69 117.35 123.64 2jt4 s TYR 32 Ca 0.03 0.66 -0.29 0.00 -0.37 0.00 0.00 57.07 57.10 2jt4 s TYR 32 Cb -0.08 -2.67 0.02 0.00 -0.40 0.00 0.00 41.96 38.83 2jt4 s TYR 32 CO 0.02 -0.19 1.11 0.42 -1.57 0.00 0.00 175.55 175.34 2jt4 s ILE 33 N 1.96 4.34 0.00 2.71 1.01 0.12 -0.04 121.20 131.30 2jt4 s ILE 33 Ca 0.21 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2jt4 s ILE 33 Cb -0.15 -4.52 0.00 0.00 0.01 0.00 0.00 42.46 37.80 2jt4 s ILE 33 CO 0.09 -0.77 0.00 0.18 0.00 0.00 0.00 174.94 174.44 2jt4 n LEU 34 N 7.40 0.73 -4.54 2.97 4.77 0.14 -3.90 117.00 124.58 2jt4 n LEU 34 Ca 0.12 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 2jt4 n LEU 34 Cb 0.48 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2jt4 n LEU 34 CO 0.66 -0.17 1.04 -1.81 -1.33 0.00 0.00 177.39 175.77 2jt4 s ASP 35 N -1.92 6.25 0.00 -1.43 1.11 -1.18 -4.74 116.67 114.77 2jt4 s ASP 35 Ca 0.00 -0.41 -0.03 0.00 0.18 0.00 0.00 52.55 52.29 2jt4 s ASP 35 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 2jt4 s ASP 35 CO 0.00 -1.63 -0.07 -0.90 1.18 0.00 0.00 175.17 173.75 2jt4 n ASP 36 N 8.69 0.93 0.18 0.27 5.68 -1.26 -1.98 116.55 129.05 2jt4 n ASP 36 Ca 0.03 0.13 0.02 0.00 -0.50 0.00 0.00 54.79 54.48 2jt4 n ASP 36 Cb 0.48 -0.32 0.33 0.00 -1.14 0.00 0.00 41.12 40.47 2jt4 n ASP 36 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2jt4 h LYS 37 N -0.20 0.00 0.00 0.11 1.57 -1.98 -3.09 116.57 112.99 2jt4 h LYS 37 Ca -0.06 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2jt4 h LYS 37 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2jt4 h LYS 37 CO -0.03 0.41 -0.23 0.87 -0.57 0.00 0.00 179.45 179.90 2jt4 h LYS 38 N 0.00 0.00 -2.27 3.15 1.57 -1.93 -3.41 116.57 113.67 2jt4 h LYS 38 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2jt4 h LYS 38 Cb 0.75 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.76 2jt4 h LYS 38 CO 0.05 0.23 -0.45 0.45 -0.57 0.00 0.00 179.45 179.16 2jt4 s SER 39 N -6.20 0.14 0.46 0.86 0.15 -1.17 -5.01 113.70 102.94 2jt4 s SER 39 Ca 0.01 0.52 0.26 0.00 0.70 0.00 0.00 55.95 57.45 2jt4 s SER 39 Cb 0.10 1.11 0.91 0.00 -1.71 0.00 0.00 66.02 66.42 2jt4 s SER 39 CO 0.64 -0.27 1.81 0.50 1.20 0.00 0.00 173.24 177.13 2jt4 h LYS 40 N 8.20 0.00 0.00 5.44 3.64 -1.81 -3.34 116.57 128.70 2jt4 h LYS 40 Ca -0.17 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 2jt4 h LYS 40 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2jt4 h LYS 40 CO 0.20 0.14 -0.63 0.38 -2.27 0.00 0.00 179.45 177.27 2jt4 h ASP 41 N 0.00 0.00 -3.26 4.20 3.04 -1.95 -3.43 116.42 115.02 2jt4 h ASP 41 Ca -0.00 -0.21 -0.67 0.00 -3.24 0.00 0.00 57.03 52.91 2jt4 h ASP 41 Cb 0.76 0.00 -0.32 0.00 -1.04 0.00 0.00 39.33 38.74 2jt4 h ASP 41 CO 0.02 0.95 -0.83 0.26 -2.04 0.00 0.00 179.24 177.61 2jt4 s TRP 42 N -2.19 2.74 0.01 4.15 0.52 -1.25 -1.30 118.94 121.62 2jt4 s TRP 42 Ca -0.17 -1.13 0.01 0.00 0.02 0.00 0.00 56.10 54.82 2jt4 s TRP 42 Cb 0.03 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 2jt4 s TRP 42 CO 0.33 -0.51 0.07 -1.58 0.02 0.00 0.00 176.95 175.28 2jt4 s TRP 43 N 0.79 3.24 -0.53 -1.98 0.51 0.71 -4.49 118.94 117.18 2jt4 s TRP 43 Ca -0.07 0.16 -0.21 0.00 -2.12 0.00 0.00 56.10 53.87 2jt4 s TRP 43 Cb -0.15 -1.70 0.05 0.00 -0.81 0.00 0.00 33.47 30.86 2jt4 s TRP 43 CO -0.00 0.53 0.75 -1.64 -0.51 0.00 0.00 176.95 176.08 2jt4 s MET 44 N -1.86 3.19 -0.08 4.98 -1.94 -0.84 -0.56 119.30 122.19 2jt4 s MET 44 Ca 0.24 -0.69 -0.04 0.00 -1.71 0.00 0.00 55.69 53.49 2jt4 s MET 44 Cb -0.12 -4.09 -0.04 0.00 2.01 0.00 0.00 34.83 32.59 2jt4 s MET 44 CO 0.15 -1.34 0.09 0.00 -0.01 0.00 0.00 175.02 173.92 2jt4 s GLN 46 N -1.20 3.16 0.10 0.00 0.74 0.94 -1.69 119.66 121.71 2jt4 s GLN 46 Ca 0.17 -0.74 -0.31 0.00 0.05 0.00 0.00 55.36 54.53 2jt4 s GLN 46 Cb -0.12 -2.83 -0.10 0.00 1.10 0.00 0.00 33.01 31.06 2jt4 s GLN 46 CO 0.07 -0.22 1.87 -0.51 -0.55 0.00 0.00 175.29 175.94 2jt4 s LEU 47 N 1.39 4.41 0.23 3.68 1.43 0.18 0.16 118.68 130.15 2jt4 s LEU 47 Ca 0.05 2.73 -0.08 0.00 -1.03 0.00 0.00 54.13 55.80 2jt4 s LEU 47 Cb -0.14 -3.56 0.21 0.00 0.03 0.00 0.00 46.19 42.73 2jt4 s LEU 47 CO -0.07 -1.02 1.90 0.58 0.23 0.00 0.00 176.35 177.96 2jt4 h VAL 48 N 4.97 1.20 0.14 -1.59 2.07 -1.30 0.30 116.25 122.05 2jt4 h VAL 48 Ca -0.47 -0.39 -0.34 0.00 0.82 0.00 0.00 66.70 66.32 2jt4 h VAL 48 Cb 1.22 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2jt4 h VAL 48 CO 0.95 0.21 -1.74 -2.24 0.02 0.00 0.00 177.57 174.76 2jt4 h ASP 49 N 1.14 0.48 0.14 0.57 2.03 -1.90 -3.40 116.42 115.48 2jt4 h ASP 49 Ca 0.32 -0.77 -0.36 0.00 -0.73 0.00 0.00 57.03 55.49 2jt4 h ASP 49 Cb -0.11 -0.16 -0.04 0.00 -0.83 0.00 0.00 39.33 38.20 2jt4 h ASP 49 CO -0.08 1.66 -2.12 -1.20 -1.03 0.00 0.00 179.24 176.47 2jt4 n SER 50 N -3.50 1.69 0.00 4.15 7.64 -1.17 -4.99 113.62 117.45 2jt4 n SER 50 Ca -0.23 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2jt4 n SER 50 Cb 1.06 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 1.97 0.76 3.70 0.23 0.00 0.10 -4.98 105.19 106.98 2jt4 n GLY 51 Ca -0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.60 4.31 -0.11 1.61 1.02 -1.26 -4.63 119.74 120.08 2jt4 s LYS 52 Ca 0.00 1.97 0.02 0.00 0.02 0.00 0.00 55.97 57.97 2jt4 s LYS 52 Cb 0.00 -3.48 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2jt4 s LYS 52 CO 0.00 -0.51 -0.15 -1.54 -0.92 0.00 0.00 175.35 172.23 2jt4 s SER 53 N 1.62 2.47 0.20 2.83 1.04 -1.25 0.52 113.70 121.13 2jt4 s SER 53 Ca 0.63 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 56.45 2jt4 s SER 53 Cb -0.32 -1.11 0.06 0.00 0.10 0.00 0.00 66.02 64.75 2jt4 s SER 53 CO 0.28 0.01 0.84 0.61 0.98 0.00 0.00 173.24 175.96 2jt4 n GLY 54 N 4.22 0.79 3.69 7.32 0.00 -0.68 -4.95 105.19 115.57 2jt4 n GLY 54 Ca -0.19 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2jt4 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jt4 s LEU 55 N 0.00 4.24 0.05 0.99 2.01 0.62 -1.31 118.68 125.27 2jt4 s LEU 55 Ca 0.18 1.25 0.02 0.00 0.01 0.00 0.00 54.13 55.59 2jt4 s LEU 55 Cb -0.03 -3.25 -0.03 0.00 0.01 0.00 0.00 46.19 42.90 2jt4 s LEU 55 CO 0.06 -0.31 -0.07 0.68 1.01 0.00 0.00 176.35 177.71 2jt4 s VAL 56 N 1.68 0.52 0.23 -1.59 -7.23 0.28 -2.23 120.40 112.04 2jt4 s VAL 56 Ca 0.40 -1.17 -0.31 0.00 -1.81 0.00 0.00 61.98 59.10 2jt4 s VAL 56 Cb -0.17 -0.71 -0.10 0.00 0.56 0.00 0.00 36.38 35.96 2jt4 s VAL 56 CO 0.16 -0.45 1.53 -2.84 -0.31 0.00 0.00 175.10 173.19 2jt4 s PRO 57 N -1.84 4.21 0.42 4.82 0.02 -1.26 -0.21 135.00 141.16 2jt4 s PRO 57 Ca -0.08 2.40 0.10 0.00 0.02 0.00 0.00 61.00 63.43 2jt4 s PRO 57 Cb -0.08 -3.10 0.93 0.00 0.02 0.00 0.00 34.50 32.26 2jt4 s PRO 57 CO -0.00 -0.55 2.04 0.00 -0.33 0.00 0.00 177.00 178.15 2jt4 h ALA 58 N 5.70 1.82 0.00 -1.55 0.00 -1.48 -1.43 119.26 122.32 2jt4 h ALA 58 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jt4 h ALA 58 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jt4 h ALA 58 CO 0.84 0.12 0.00 0.00 0.00 0.00 0.00 179.25 180.21 2jt4 n GLN 59 N -4.48 0.94 -0.00 0.00 10.64 -1.26 -2.29 117.38 120.92 2jt4 n GLN 59 Ca 0.05 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.30 2jt4 n GLN 59 Cb 0.16 -1.00 -0.11 0.00 -0.86 0.00 0.00 30.24 28.44 2jt4 n GLN 59 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jt4 n PHE 60 N -0.50 0.00 -3.57 2.61 3.01 -0.54 -4.97 117.46 113.49 2jt4 n PHE 60 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 2jt4 n PHE 60 Cb 0.00 -0.21 -0.07 0.00 -0.01 0.00 0.00 39.48 39.20 2jt4 n PHE 60 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2jt4 s ILE 61 N -2.80 5.27 -0.74 4.37 -1.09 -0.97 -0.50 121.20 124.74 2jt4 s ILE 61 Ca -0.01 0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 58.89 2jt4 s ILE 61 Cb 0.10 -3.62 0.19 0.00 -1.58 0.00 0.00 42.46 37.56 2jt4 s ILE 61 CO 0.63 0.47 0.63 -0.70 -1.23 0.00 0.00 174.94 174.74 2jt4 s GLU 62 N -0.11 3.18 0.29 2.79 2.56 -0.45 -4.88 118.70 122.08 2jt4 s GLU 62 Ca 0.18 -2.47 -0.29 0.00 0.00 0.00 0.00 54.97 52.39 2jt4 s GLU 62 Cb -0.14 -4.15 -0.10 0.00 2.00 0.00 0.00 34.13 31.74 2jt4 s GLU 62 CO 0.06 -1.25 1.35 -2.14 -0.56 0.00 0.00 175.26 172.72 2jt4 s PRO 63 N 0.11 4.33 -0.49 4.30 0.02 -1.26 -0.53 135.00 141.48 2jt4 s PRO 63 Ca 0.17 2.23 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 2jt4 s PRO 63 Cb -0.15 -3.10 0.05 0.00 0.02 0.00 0.00 34.50 31.33 2jt4 s PRO 63 CO -0.06 -0.27 0.60 0.14 -0.33 0.00 0.00 177.00 177.08 2jt4 s VAL 64 N -0.66 4.90 0.00 3.83 -7.23 0.23 -4.78 120.40 116.70 2jt4 s VAL 64 Ca 0.53 -0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2jt4 s VAL 64 Cb -0.40 -4.25 0.00 0.00 0.56 0.00 0.00 36.38 32.29 2jt4 s VAL 64 CO 0.48 -0.72 0.72 0.54 -0.31 0.00 0.00 175.10 175.81 2jt4 n ARG 65 N 6.09 1.17 -2.18 4.82 1.74 -1.26 -4.66 116.66 122.37 2jt4 n ARG 65 Ca -0.06 -0.96 -0.04 0.00 -0.77 0.00 0.00 57.85 56.02 2jt4 n ARG 65 Cb 0.46 -0.91 -0.03 0.00 -1.02 0.00 0.00 32.46 30.95 2jt4 n ARG 65 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jt4 n ASP 66 N -0.25 -0.98 -2.34 0.55 2.03 -1.26 -4.85 116.55 109.44 2jt4 n ASP 66 Ca 0.00 0.86 -0.03 0.00 0.52 0.00 0.00 54.79 56.14 2jt4 n ASP 66 Cb 0.19 -3.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 2jt4 n ASP 66 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jt4 n LYS 67 N 1.09 -1.23 -2.74 -0.67 5.02 -1.26 -4.95 118.16 113.42 2jt4 n LYS 67 Ca -0.27 1.36 -0.42 0.00 -2.02 0.00 0.00 58.31 56.95 2jt4 n LYS 67 Cb 0.42 -4.00 -0.04 0.00 -0.02 0.00 0.00 35.03 31.39 2jt4 n LYS 67 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jt4 s LYS 68 N -2.27 3.28 -0.16 1.97 2.20 -1.26 -5.01 119.74 118.49 2jt4 s LYS 68 Ca 0.10 -0.30 -0.10 0.00 -0.36 0.00 0.00 55.97 55.31 2jt4 s LYS 68 Cb -0.03 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.13 2jt4 s LYS 68 CO 0.45 -1.74 0.18 -3.38 -0.36 0.00 0.00 175.35 170.51 2jt4 s HIS 69 N 4.53 3.48 0.00 4.03 -3.43 -1.26 -5.06 115.29 117.59 2jt4 s HIS 69 Ca 0.32 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 2jt4 s HIS 69 Cb -0.12 -2.15 0.00 0.00 -1.43 0.00 0.00 32.58 28.88 2jt4 s HIS 69 CO 0.17 0.41 0.00 -2.37 -2.00 0.00 0.00 174.74 170.95 2jt4 n THR 70 N 3.07 0.00 1.11 -5.38 5.66 -1.26 -5.26 114.28 112.22 2jt4 n THR 70 Ca -0.16 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.96 2jt4 n THR 70 Cb 0.53 0.00 0.19 0.00 -1.55 0.00 0.00 70.33 69.50 2jt4 n THR 70 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23