#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jt1 s SER 2 N 0.00 -0.08 -0.00 7.83 0.15 -1.26 -5.14 113.70 115.20 2jt1 s SER 2 Ca 0.00 -1.05 -0.05 0.00 0.70 0.00 0.00 55.95 55.54 2jt1 s SER 2 Cb 0.00 1.23 0.02 0.00 -1.71 0.00 0.00 66.02 65.55 2jt1 s SER 2 CO 0.00 -0.24 0.24 -1.84 1.20 0.00 0.00 173.24 172.60 2jt1 n GLU 3 N 4.50 0.04 -3.58 5.44 0.28 -1.26 -5.02 120.64 121.04 2jt1 n GLU 3 Ca 0.09 -0.16 -0.27 0.00 -0.16 0.00 0.00 57.16 56.67 2jt1 n GLU 3 Cb 0.51 0.25 0.02 0.00 1.43 0.00 0.00 31.44 33.65 2jt1 n GLU 3 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2jt1 n SER 4 N -0.36 -4.72 -0.14 -1.84 3.41 -1.26 -4.87 113.62 103.84 2jt1 n SER 4 Ca 0.01 -0.56 -0.03 0.00 -0.26 0.00 0.00 58.87 58.02 2jt1 n SER 4 Cb 0.11 -3.81 0.05 0.00 -0.26 0.00 0.00 64.21 60.30 2jt1 n SER 4 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2jt1 h ILE 5 N -1.60 0.73 0.44 -1.33 5.03 -1.99 0.43 117.51 119.22 2jt1 h ILE 5 Ca -0.52 -0.07 -0.02 0.00 -0.12 0.00 0.00 64.86 64.13 2jt1 h ILE 5 Cb 1.35 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 35.65 2jt1 h ILE 5 CO 0.61 0.04 -0.21 0.58 -0.68 0.00 0.00 178.15 178.48 2jt1 h VAL 6 N 0.20 0.56 -0.18 1.67 2.07 -2.01 -2.58 116.25 115.98 2jt1 h VAL 6 Ca 0.23 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2jt1 h VAL 6 Cb 0.30 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2jt1 h VAL 6 CO -0.31 0.03 0.12 0.74 0.02 0.00 0.00 177.57 178.17 2jt1 h THR 7 N -0.69 1.02 0.50 2.57 2.02 -1.86 -2.25 112.91 114.21 2jt1 h THR 7 Ca -0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2jt1 h THR 7 Cb 0.51 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2jt1 h THR 7 CO 0.10 0.03 -0.36 0.50 0.37 0.00 0.00 175.52 176.16 2jt1 h LYS 8 N 0.19 -0.81 -0.68 6.66 1.63 0.08 0.19 116.57 123.83 2jt1 h LYS 8 Ca 0.07 0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 2jt1 h LYS 8 Cb 0.05 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 2jt1 h LYS 8 CO -0.01 -0.54 0.42 0.82 -3.45 0.00 0.00 179.45 176.68 2jt1 h ILE 9 N -0.84 1.06 -0.70 2.00 2.04 -1.07 0.63 117.51 120.62 2jt1 h ILE 9 Ca -0.05 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2jt1 h ILE 9 Cb 0.71 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2jt1 h ILE 9 CO 0.02 0.15 0.44 0.40 0.00 0.00 0.00 178.15 179.15 2jt1 h ILE 10 N 0.80 1.20 -0.22 -0.67 2.04 -1.29 -1.82 117.51 117.55 2jt1 h ILE 10 Ca 0.28 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 2jt1 h ILE 10 Cb 0.06 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2jt1 h ILE 10 CO -0.12 0.20 -0.15 -1.28 0.00 0.00 0.00 178.15 176.79 2jt1 h SER 11 N 0.96 0.36 -0.13 1.72 0.87 0.15 -1.91 113.55 115.57 2jt1 h SER 11 Ca 0.25 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2jt1 h SER 11 Cb -0.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 2jt1 h SER 11 CO -0.05 0.54 0.05 0.40 -0.53 0.00 0.00 176.83 177.24 2jt1 h ILE 12 N 0.35 1.16 -0.34 2.23 2.04 -0.40 -0.18 117.51 122.38 2jt1 h ILE 12 Ca 0.07 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2jt1 h ILE 12 Cb 0.48 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2jt1 h ILE 12 CO 0.03 0.14 0.16 0.58 0.00 0.00 0.00 178.15 179.06 2jt1 h VAL 13 N 0.04 0.97 -0.48 1.67 2.07 -1.09 -1.35 116.25 118.09 2jt1 h VAL 13 Ca 0.04 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2jt1 h VAL 13 Cb 0.18 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2jt1 h VAL 13 CO -0.00 0.06 0.30 -0.61 0.02 0.00 0.00 177.57 177.34 2jt1 h GLN 14 N 0.33 0.59 -0.53 1.57 5.75 -1.30 -1.39 115.11 120.13 2jt1 h GLN 14 Ca 0.14 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.69 2jt1 h GLN 14 Cb 0.07 -0.13 -0.07 0.00 1.07 0.00 0.00 27.48 28.41 2jt1 h GLN 14 CO -0.11 0.39 0.14 1.49 -2.65 0.00 0.00 178.83 178.09 2jt1 h GLU 15 N 0.61 0.28 -0.38 1.69 4.57 -0.59 -1.27 114.58 119.48 2jt1 h GLU 15 Ca 0.18 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.23 2jt1 h GLU 15 Cb -0.03 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2jt1 h GLU 15 CO -0.06 0.19 -0.24 0.00 -1.18 0.00 0.00 179.01 177.72 2jt1 h ARG 16 N 0.29 0.76 -0.24 1.92 2.47 -0.95 -0.21 114.38 118.43 2jt1 h ARG 16 Ca 0.27 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2jt1 h ARG 16 Cb 0.35 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2jt1 h ARG 16 CO -0.32 0.92 -0.00 1.96 0.56 0.00 0.00 179.97 183.09 2jt1 h GLN 17 N 0.66 0.35 0.00 0.04 1.08 -0.69 -3.13 115.11 113.42 2jt1 h GLN 17 Ca 0.09 -0.06 -0.28 0.00 -1.45 0.00 0.00 58.65 56.95 2jt1 h GLN 17 Cb 0.74 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.07 2jt1 h GLN 17 CO 0.06 0.38 -1.80 0.09 -0.95 0.00 0.00 178.83 176.61 2jt1 n ASN 18 N -4.34 0.69 0.20 1.46 3.02 -0.53 -4.11 115.26 111.65 2jt1 n ASN 18 Ca 0.00 0.33 0.06 0.00 -0.03 0.00 0.00 54.58 54.94 2jt1 n ASN 18 Cb 0.20 0.20 0.39 0.00 -0.61 0.00 0.00 39.78 39.97 2jt1 n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jt1 h MET 19 N 0.00 0.00 -5.06 3.52 -0.00 -1.05 -3.46 114.93 108.88 2jt1 h MET 19 Ca -0.31 0.00 -0.61 0.00 -0.00 0.00 0.00 59.70 58.78 2jt1 h MET 19 Cb 1.98 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 33.45 2jt1 h MET 19 CO 0.06 0.35 -0.50 0.34 -0.00 0.00 0.00 176.91 177.16 2jt1 s ASP 20 N -6.49 3.27 -0.01 -0.10 -1.08 -1.19 -5.07 116.67 106.01 2jt1 s ASP 20 Ca -0.01 -1.71 0.17 0.00 -0.52 0.00 0.00 52.55 50.48 2jt1 s ASP 20 Cb 0.12 0.60 -0.20 0.00 -1.46 0.00 0.00 42.92 41.97 2jt1 s ASP 20 CO 0.68 -0.95 0.62 0.47 0.52 0.00 0.00 175.17 176.51 2jt1 n ASP 21 N -1.38 0.86 -2.39 -0.34 8.00 -1.26 -4.76 116.55 115.27 2jt1 n ASP 21 Ca -0.11 -0.66 -0.03 0.00 0.71 0.00 0.00 54.79 54.70 2jt1 n ASP 21 Cb 0.65 1.20 0.07 0.00 -0.02 0.00 0.00 41.12 43.02 2jt1 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jt1 n GLY 22 N 1.43 0.60 3.44 0.44 0.00 -1.26 -5.11 105.19 104.72 2jt1 n GLY 22 Ca 0.02 -0.09 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 2jt1 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jt1 s ALA 23 N 0.09 3.47 0.30 4.61 0.00 -1.26 -5.07 121.76 123.91 2jt1 s ALA 23 Ca 0.08 -1.81 -0.29 0.00 0.00 0.00 0.00 51.96 49.94 2jt1 s ALA 23 Cb 0.25 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 20.16 2jt1 s ALA 23 CO -0.07 -1.72 1.28 -1.25 0.00 0.00 0.00 175.76 174.00 2jt1 s PRO 24 N 2.01 4.41 -0.22 0.00 0.04 -1.26 -4.59 135.00 135.39 2jt1 s PRO 24 Ca 0.09 2.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 2jt1 s PRO 24 Cb -0.20 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.23 2jt1 s PRO 24 CO 0.10 -0.14 1.04 0.08 0.04 0.00 0.00 177.00 178.12 2jt1 s VAL 25 N -0.89 4.69 0.05 -0.36 1.01 -0.08 -4.80 120.40 120.02 2jt1 s VAL 25 Ca 0.50 2.03 -0.29 0.00 0.00 0.00 0.00 61.98 64.21 2jt1 s VAL 25 Cb -0.38 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 2jt1 s VAL 25 CO 0.48 -0.16 0.94 -0.54 0.00 0.00 0.00 175.10 175.83 2jt1 s LYS 26 N 3.07 4.61 0.24 2.72 3.01 -1.26 -0.60 119.74 131.54 2jt1 s LYS 26 Ca 0.45 1.39 -0.05 0.00 -1.01 0.00 0.00 55.97 56.74 2jt1 s LYS 26 Cb -0.15 -3.41 0.43 0.00 -1.01 0.00 0.00 37.83 33.68 2jt1 s LYS 26 CO 0.07 0.10 1.74 1.15 0.51 0.00 0.00 175.35 178.92 2jt1 h THR 27 N 4.39 0.68 -0.38 2.17 2.02 -1.89 0.95 112.91 120.86 2jt1 h THR 27 Ca -0.42 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2jt1 h THR 27 Cb 1.21 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2jt1 h THR 27 CO 0.73 0.08 0.22 0.03 0.37 0.00 0.00 175.52 176.96 2jt1 h ARG 28 N 0.45 0.52 -0.94 6.66 2.47 -1.93 -2.13 114.38 119.49 2jt1 h ARG 28 Ca 0.40 -0.05 0.04 0.00 -1.26 0.00 0.00 59.98 59.10 2jt1 h ARG 28 Cb 0.58 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.74 2jt1 h ARG 28 CO -0.38 0.41 0.61 0.22 0.56 0.00 0.00 179.97 181.39 2jt1 h ASP 29 N 0.49 1.01 -0.86 7.04 3.58 -1.58 -1.75 116.42 124.35 2jt1 h ASP 29 Ca 0.14 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2jt1 h ASP 29 Cb 0.03 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 2jt1 h ASP 29 CO -0.02 0.69 0.45 0.40 -2.88 0.00 0.00 179.24 177.87 2jt1 h ILE 30 N 1.17 1.26 -0.22 2.25 2.04 -0.61 -1.69 117.51 121.71 2jt1 h ILE 30 Ca 0.38 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2jt1 h ILE 30 Cb 0.02 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 2jt1 h ILE 30 CO -0.13 0.30 0.06 0.00 0.00 0.00 0.00 178.15 178.38 2jt1 h ALA 31 N 1.27 0.23 -0.48 1.87 0.00 -0.65 0.15 119.26 121.65 2jt1 h ALA 31 Ca 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2jt1 h ALA 31 Cb 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jt1 h ALA 31 CO -0.04 -0.36 0.14 -0.44 0.00 0.00 0.00 179.25 178.55 2jt1 h ASP 32 N 0.15 0.71 -0.57 0.00 5.19 -1.36 0.16 116.42 120.71 2jt1 h ASP 32 Ca 0.10 -0.21 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 2jt1 h ASP 32 Cb 0.08 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.38 2jt1 h ASP 32 CO -0.11 0.73 0.10 0.00 -3.12 0.00 0.00 179.24 176.84 2jt1 h ALA 33 N 1.00 0.75 0.00 3.45 0.00 -0.97 -3.12 119.26 120.37 2jt1 h ALA 33 Ca 0.15 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2jt1 h ALA 33 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jt1 h ALA 33 CO -0.00 0.49 -0.89 0.00 0.00 0.00 0.00 179.25 178.85 2jt1 h ALA 34 N 1.00 0.67 -1.72 0.00 0.00 -0.72 -3.49 119.26 115.00 2jt1 h ALA 34 Ca 0.17 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2jt1 h ALA 34 Cb 0.41 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jt1 h ALA 34 CO 0.01 0.56 -0.10 0.41 0.00 0.00 0.00 179.25 180.14 2jt1 n GLY 35 N 1.27 0.73 3.32 0.00 0.00 0.51 -5.07 105.19 105.95 2jt1 n GLY 35 Ca -0.03 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 2jt1 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jt1 s LEU 36 N -1.93 2.50 0.58 0.99 1.43 -0.93 -5.05 118.68 116.28 2jt1 s LEU 36 Ca 0.08 -1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 2jt1 s LEU 36 Cb -0.04 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.63 2jt1 s LEU 36 CO 0.10 -0.28 1.15 -0.44 0.23 0.00 0.00 176.35 177.12 2jt1 s SER 37 N -3.28 5.40 0.18 2.29 0.01 -1.26 -4.67 113.70 112.37 2jt1 s SER 37 Ca 0.22 2.22 -0.15 0.00 1.31 0.00 0.00 55.95 59.55 2jt1 s SER 37 Cb 0.01 -2.58 0.16 0.00 0.21 0.00 0.00 66.02 63.82 2jt1 s SER 37 CO 0.05 -1.44 1.68 0.40 0.41 0.00 0.00 173.24 174.35 2jt1 h ILE 38 N 0.86 0.63 -0.13 1.44 1.08 -1.96 0.62 117.51 120.05 2jt1 h ILE 38 Ca -0.50 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2jt1 h ILE 38 Cb 1.27 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 2jt1 h ILE 38 CO 0.56 0.02 0.05 0.22 -0.69 0.00 0.00 178.15 178.31 2jt1 h TYR 39 N 0.10 0.10 -0.19 1.37 3.20 -1.99 -0.09 116.97 119.47 2jt1 h TYR 39 Ca 0.23 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.15 2jt1 h TYR 39 Cb 0.34 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2jt1 h TYR 39 CO -0.31 0.06 -0.10 0.37 -1.64 0.00 0.00 178.16 176.54 2jt1 h GLN 40 N 0.13 -0.08 -0.22 1.82 5.75 -1.72 -0.67 115.11 120.11 2jt1 h GLN 40 Ca 0.05 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 2jt1 h GLN 40 Cb 0.02 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 2jt1 h GLN 40 CO -0.05 -0.05 -0.02 0.28 -2.65 0.00 0.00 178.83 176.34 2jt1 h VAL 41 N -0.08 0.82 -0.41 2.39 2.07 -0.66 -2.05 116.25 118.33 2jt1 h VAL 41 Ca 0.11 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2jt1 h VAL 41 Cb 0.24 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2jt1 h VAL 41 CO -0.24 0.01 0.21 0.03 0.02 0.00 0.00 177.57 177.60 2jt1 h ARG 42 N 0.04 0.56 -0.42 1.57 3.08 -0.70 -0.15 114.38 118.36 2jt1 h ARG 42 Ca 0.11 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.16 2jt1 h ARG 42 Cb 0.15 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2jt1 h ARG 42 CO -0.20 0.42 0.13 -0.07 -1.07 0.00 0.00 179.97 179.18 2jt1 h LEU 43 N 0.56 0.11 -0.43 3.04 3.38 -0.40 0.32 115.31 121.89 2jt1 h LEU 43 Ca 0.15 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2jt1 h LEU 43 Cb 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2jt1 h LEU 43 CO -0.02 0.09 0.05 1.88 0.09 0.00 0.00 178.44 180.53 2jt1 h TYR 44 N 0.28 0.79 0.01 1.13 0.05 -1.10 -2.78 116.97 115.34 2jt1 h TYR 44 Ca 0.20 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2jt1 h TYR 44 Cb 0.20 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2jt1 h TYR 44 CO -0.17 0.76 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.63 2jt1 h LEU 45 N 0.59 -0.01 -0.51 3.88 3.38 -0.43 0.02 115.31 122.21 2jt1 h LEU 45 Ca 0.13 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jt1 h LEU 45 Cb 0.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2jt1 h LEU 45 CO 0.01 0.20 0.25 -0.33 0.09 0.00 0.00 178.44 178.66 2jt1 h GLU 46 N -0.22 0.47 -0.02 1.13 4.39 -0.46 0.27 114.58 120.15 2jt1 h GLU 46 Ca -0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 2jt1 h GLU 46 Cb 0.22 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2jt1 h GLU 46 CO 0.00 0.31 0.01 1.96 -1.16 0.00 0.00 179.01 180.13 2jt1 h GLN 47 N 0.48 0.02 -0.19 2.33 4.20 -1.39 -1.05 115.11 119.51 2jt1 h GLN 47 Ca 0.23 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.99 2jt1 h GLN 47 Cb 0.16 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2jt1 h GLN 47 CO -0.17 0.16 0.15 -0.07 -0.67 0.00 0.00 178.83 178.23 2jt1 h LEU 48 N -0.12 0.00 0.44 1.46 3.38 -0.62 -0.06 115.31 119.80 2jt1 h LEU 48 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jt1 h LEU 48 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2jt1 h LEU 48 CO -0.00 0.00 -0.21 -0.74 0.09 0.00 0.00 178.44 177.58 2jt1 h HIS 49 N 0.00 -0.55 0.00 1.13 2.76 0.06 0.24 115.15 118.78 2jt1 h HIS 49 Ca 0.09 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2jt1 h HIS 49 Cb 0.39 0.18 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 2jt1 h HIS 49 CO 0.00 -0.23 -0.17 -0.44 -1.30 0.00 0.00 177.93 175.79 2jt1 h ASP 50 N -0.95 0.00 0.34 3.26 5.19 -0.58 -2.11 116.42 121.58 2jt1 h ASP 50 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2jt1 h ASP 50 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2jt1 h ASP 50 CO 0.10 0.17 -0.11 1.33 -3.12 0.00 0.00 179.24 177.61 2jt1 n VAL 51 N -3.43 0.00 -0.29 -1.35 0.24 -0.09 -4.93 118.33 108.48 2jt1 n VAL 51 Ca -0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2jt1 n VAL 51 Cb 0.36 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 2jt1 n VAL 51 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jt1 n GLY 52 N 1.27 0.83 0.11 7.63 0.00 -0.79 -5.00 105.19 109.24 2jt1 n GLY 52 Ca 0.15 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2jt1 n GLY 52 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jt1 n VAL 53 N -2.29 1.53 -4.24 1.61 0.31 0.68 -4.87 118.33 111.08 2jt1 n VAL 53 Ca 0.00 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 2jt1 n VAL 53 Cb 0.00 -2.03 -0.11 0.00 -0.91 0.00 0.00 33.84 30.80 2jt1 n VAL 53 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2jt1 s LEU 54 N -7.83 3.51 -0.05 7.52 1.43 -0.27 -3.68 118.68 119.31 2jt1 s LEU 54 Ca -0.30 -0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2jt1 s LEU 54 Cb 0.07 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2jt1 s LEU 54 CO 0.58 0.19 0.14 -0.70 0.23 0.00 0.00 176.35 176.79 2jt1 s GLU 55 N 0.23 3.33 0.37 1.70 2.12 0.86 -4.18 118.70 123.12 2jt1 s GLU 55 Ca 0.00 -0.30 -0.27 0.00 0.36 0.00 0.00 54.97 54.76 2jt1 s GLU 55 Cb -0.13 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.11 2jt1 s GLU 55 CO 0.02 0.70 1.31 -1.59 -0.54 0.00 0.00 175.26 175.16 2jt1 s LYS 56 N -1.54 4.14 -0.28 4.30 0.00 -1.26 -2.25 119.74 122.84 2jt1 s LYS 56 Ca 0.22 2.19 -0.02 0.00 0.00 0.00 0.00 55.97 58.36 2jt1 s LYS 56 Cb -0.12 -2.89 0.09 0.00 0.00 0.00 0.00 37.83 34.91 2jt1 s LYS 56 CO 0.12 -0.36 0.09 0.08 0.00 0.00 0.00 175.35 175.28 2jt1 s VAL 57 N -1.21 0.58 -0.23 1.79 1.01 0.12 -4.87 120.40 117.59 2jt1 s VAL 57 Ca 0.53 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 2jt1 s VAL 57 Cb -0.39 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2jt1 s VAL 57 CO 0.51 -0.59 0.19 -3.20 0.00 0.00 0.00 175.10 172.01 2jt1 n ASN 58 N 4.99 -7.08 -3.32 3.32 5.15 -1.26 -2.14 115.26 114.91 2jt1 n ASN 58 Ca -0.04 0.68 -0.10 0.00 -0.60 0.00 0.00 54.58 54.52 2jt1 n ASN 58 Cb 0.43 -3.36 -0.01 0.00 -0.53 0.00 0.00 39.78 36.31 2jt1 n ASN 58 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jt1 s ALA 59 N -1.50 -0.50 0.00 5.20 0.00 -1.26 -3.99 121.76 119.71 2jt1 s ALA 59 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2jt1 s ALA 59 Cb -0.02 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2jt1 s ALA 59 CO 0.50 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2jt1 n GLY 60 N -0.50 0.53 3.09 0.00 0.00 -1.26 -4.99 105.19 102.07 2jt1 n GLY 60 Ca -0.05 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2jt1 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jt1 s LYS 61 N 0.00 1.41 0.00 1.61 1.02 -1.26 -4.69 119.74 117.83 2jt1 s LYS 61 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.49 2jt1 s LYS 61 Cb 0.00 -1.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 2jt1 s LYS 61 CO 0.00 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 2jt1 n GLY 62 N 3.09 0.52 2.72 -3.33 0.00 -1.26 -5.01 105.19 101.92 2jt1 n GLY 62 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 2jt1 n GLY 62 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jt1 s VAL 63 N -2.18 0.04 -0.22 1.61 -7.23 -1.26 -5.12 120.40 106.04 2jt1 s VAL 63 Ca 0.00 0.30 -0.28 0.00 -1.81 0.00 0.00 61.98 60.18 2jt1 s VAL 63 Cb 0.00 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 2jt1 s VAL 63 CO 0.00 0.19 1.98 -2.84 -0.31 0.00 0.00 175.10 174.12 2jt1 s PRO 64 N 1.88 3.40 0.03 4.82 0.02 -1.26 -4.11 135.00 139.77 2jt1 s PRO 64 Ca 0.02 1.87 -0.33 0.00 0.02 0.00 0.00 61.00 62.58 2jt1 s PRO 64 Cb -0.12 -4.25 -0.12 0.00 0.02 0.00 0.00 34.50 30.03 2jt1 s PRO 64 CO -0.03 -1.79 1.80 0.41 -0.33 0.00 0.00 177.00 177.06 2jt1 n GLY 65 N 5.37 1.44 3.84 0.52 0.00 -1.26 -4.80 105.19 110.29 2jt1 n GLY 65 Ca 0.25 0.78 -0.34 0.00 0.00 0.00 0.00 46.02 46.71 2jt1 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jt1 s LEU 66 N 3.02 4.15 0.09 0.99 1.43 -0.91 -3.03 118.68 124.42 2jt1 s LEU 66 Ca 0.87 0.29 0.10 0.00 -1.03 0.00 0.00 54.13 54.36 2jt1 s LEU 66 Cb -0.63 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 2jt1 s LEU 66 CO 0.45 0.31 -0.25 0.26 0.23 0.00 0.00 176.35 177.34 2jt1 s TRP 67 N -1.17 2.19 -0.13 0.29 0.52 0.24 -0.70 118.94 120.18 2jt1 s TRP 67 Ca 0.22 -0.39 -0.08 0.00 0.02 0.00 0.00 56.10 55.86 2jt1 s TRP 67 Cb -0.12 -1.24 0.04 0.00 -1.15 0.00 0.00 33.47 31.01 2jt1 s TRP 67 CO 0.12 0.23 0.32 -0.98 0.02 0.00 0.00 176.95 176.66 2jt1 s ARG 68 N -1.71 0.32 0.80 4.98 1.70 -0.96 -0.90 118.95 123.18 2jt1 s ARG 68 Ca 0.12 0.57 -0.11 0.00 -0.47 0.00 0.00 55.73 55.83 2jt1 s ARG 68 Cb -0.10 0.02 0.07 0.00 -0.57 0.00 0.00 34.95 34.37 2jt1 s ARG 68 CO 0.04 -0.12 1.09 -0.48 -1.08 0.00 0.00 175.30 174.75 2jt1 s LEU 69 N 0.90 2.66 -1.00 -1.89 0.05 -1.26 -0.10 118.68 118.04 2jt1 s LEU 69 Ca -0.06 1.49 -0.24 0.00 0.05 0.00 0.00 54.13 55.37 2jt1 s LEU 69 Cb -0.07 -4.11 -0.08 0.00 -2.05 0.00 0.00 46.19 39.88 2jt1 s LEU 69 CO -0.06 -2.08 2.00 -0.76 -0.55 0.00 0.00 176.35 174.90 2jt1 s LEU 70 N -5.88 3.04 0.00 1.48 1.43 -1.24 -4.82 118.68 112.69 2jt1 s LEU 70 Ca 0.61 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2jt1 s LEU 70 Cb -0.16 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2jt1 s LEU 70 CO 0.55 -3.11 0.00 -0.62 0.23 0.00 0.00 176.35 173.40