#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jns s SER 2 N 0.00 0.01 -0.02 1.61 0.15 -1.26 -5.07 113.70 109.13 2jns s SER 2 Ca 0.00 -0.91 0.15 0.00 0.70 0.00 0.00 55.95 55.89 2jns s SER 2 Cb 0.00 0.46 -0.21 0.00 -1.71 0.00 0.00 66.02 64.56 2jns s SER 2 CO 0.00 -0.94 0.39 -1.20 1.20 0.00 0.00 173.24 172.69 2jns n SER 3 N -0.26 1.41 -2.96 5.45 7.64 -1.26 -5.05 113.62 118.59 2jns n SER 3 Ca -0.06 -0.20 -0.07 0.00 1.01 0.00 0.00 58.87 59.56 2jns n SER 3 Cb 0.63 1.52 0.00 0.00 -1.01 0.00 0.00 64.21 65.35 2jns n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jns n GLY 4 N 1.59 -0.31 3.76 0.23 0.00 -1.26 -4.85 105.19 104.35 2jns n GLY 4 Ca -0.01 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2jns n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jns s SER 5 N -2.58 5.59 0.11 1.61 0.01 -1.26 -5.04 113.70 112.14 2jns s SER 5 Ca 0.02 2.55 0.04 0.00 1.31 0.00 0.00 55.95 59.87 2jns s SER 5 Cb -0.01 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.56 2jns s SER 5 CO 0.22 -1.33 -0.11 -0.44 0.41 0.00 0.00 173.24 171.99 2jns s SER 6 N -1.19 1.62 0.00 2.44 0.01 -1.26 -4.79 113.70 110.53 2jns s SER 6 Ca 0.69 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 57.12 2jns s SER 6 Cb -0.35 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2jns s SER 6 CO 0.41 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2jns n GLY 7 N 0.46 0.90 0.27 3.44 0.00 -1.26 -4.94 105.19 104.06 2jns n GLY 7 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2jns n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jns n GLU 8 N -0.43 0.00 -3.87 1.61 4.71 -1.26 -5.04 120.64 116.37 2jns n GLU 8 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 2jns n GLU 8 Cb 0.00 -0.62 -0.16 0.00 -1.01 0.00 0.00 31.44 29.65 2jns n GLU 8 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2jns s SER 9 N -3.67 3.69 -0.00 1.62 1.04 -1.26 -4.99 113.70 110.13 2jns s SER 9 Ca 0.00 -1.20 0.20 0.00 0.48 0.00 0.00 55.95 55.44 2jns s SER 9 Cb 0.00 -1.02 -0.23 0.00 0.10 0.00 0.00 66.02 64.87 2jns s SER 9 CO 0.00 -0.28 0.84 -0.62 0.98 0.00 0.00 173.24 174.16 2jns n GLU 10 N 4.76 0.26 0.00 4.02 4.71 -1.26 -4.31 120.64 128.82 2jns n GLU 10 Ca -0.09 -0.01 0.07 0.00 -0.01 0.00 0.00 57.16 57.12 2jns n GLU 10 Cb 0.44 -1.47 0.31 0.00 -1.01 0.00 0.00 31.44 29.71 2jns n GLU 10 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2jns n GLU 11 N -1.53 0.00 -0.05 3.49 2.13 -1.26 -2.75 120.64 120.66 2jns n GLU 11 Ca 0.03 0.25 0.01 0.00 0.66 0.00 0.00 57.16 58.12 2jns n GLU 11 Cb 0.33 -1.50 -0.16 0.00 0.27 0.00 0.00 31.44 30.38 2jns n GLU 11 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2jns n GLU 12 N -1.50 0.67 0.00 5.31 0.28 -1.26 -4.47 120.64 119.67 2jns n GLU 12 Ca 0.04 -0.11 0.02 0.00 -0.16 0.00 0.00 57.16 56.95 2jns n GLU 12 Cb 0.17 -1.52 0.13 0.00 1.43 0.00 0.00 31.44 31.65 2jns n GLU 12 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jns n ASP 13 N -2.49 0.00 -4.56 -1.84 2.03 -1.11 -4.85 116.55 103.73 2jns n ASP 13 Ca -0.17 -0.58 -0.41 0.00 0.52 0.00 0.00 54.79 54.15 2jns n ASP 13 Cb 0.84 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.26 2jns n ASP 13 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jns n LYS 14 N -0.69 1.03 -2.25 -0.67 5.02 -1.26 -5.00 118.16 114.35 2jns n LYS 14 Ca 0.03 0.38 -0.28 0.00 -2.02 0.00 0.00 58.31 56.42 2jns n LYS 14 Cb 0.01 -1.90 0.03 0.00 -0.02 0.00 0.00 35.03 33.15 2jns n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jns s LYS 16 N -5.08 1.14 0.90 0.00 -0.14 -1.26 -5.05 119.74 110.24 2jns s LYS 16 Ca 0.55 -1.52 -0.11 0.00 -1.36 0.00 0.00 55.97 53.53 2jns s LYS 16 Cb -0.11 -0.61 0.13 0.00 -1.68 0.00 0.00 37.83 35.57 2jns s LYS 16 CO 0.47 0.02 1.10 -1.25 -0.76 0.00 0.00 175.35 174.93 2jns s PRO 17 N -3.79 1.22 -0.16 -1.68 0.04 -1.26 -4.62 135.00 124.75 2jns s PRO 17 Ca 0.20 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2jns s PRO 17 Cb 0.04 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.82 2jns s PRO 17 CO 0.03 -2.36 -0.12 -1.64 0.04 0.00 0.00 177.00 172.95 2jns s MET 18 N -4.79 2.17 0.88 4.56 -1.94 -1.26 -5.08 119.30 113.84 2jns s MET 18 Ca 0.64 -0.64 -0.12 0.00 -1.71 0.00 0.00 55.69 53.86 2jns s MET 18 Cb -0.20 -2.18 0.12 0.00 2.01 0.00 0.00 34.83 34.58 2jns s MET 18 CO 0.58 -0.30 1.15 -1.12 -0.01 0.00 0.00 175.02 175.31 2jns s SER 19 N 1.47 3.78 0.27 3.03 0.01 -1.26 -4.84 113.70 116.15 2jns s SER 19 Ca 0.03 0.93 -0.04 0.00 1.31 0.00 0.00 55.95 58.17 2jns s SER 19 Cb -0.14 -1.49 0.32 0.00 0.21 0.00 0.00 66.02 64.93 2jns s SER 19 CO -0.10 -2.38 1.91 0.22 0.41 0.00 0.00 173.24 173.30 2jns h TYR 20 N -1.38 1.14 -0.97 2.43 3.20 -2.00 -1.57 116.97 117.82 2jns h TYR 20 Ca -0.49 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.39 2jns h TYR 20 Cb 1.33 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 2jns h TYR 20 CO 0.30 0.76 0.64 0.93 -1.64 0.00 0.00 178.16 179.15 2jns h GLU 21 N 1.19 1.24 -0.03 1.82 3.07 -1.99 -1.35 114.58 118.53 2jns h GLU 21 Ca 0.31 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.09 2jns h GLU 21 Cb -0.04 -0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 27.59 2jns h GLU 21 CO -0.06 0.82 -0.01 0.93 -1.40 0.00 0.00 179.01 179.29 2jns h GLU 22 N 1.28 0.06 -0.27 2.33 4.39 -1.72 -1.63 114.58 119.01 2jns h GLU 22 Ca 0.37 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.09 2jns h GLU 22 Cb -0.08 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 2jns h GLU 22 CO -0.10 0.43 -0.01 0.87 -1.16 0.00 0.00 179.01 179.04 2jns h LYS 23 N -0.32 0.06 -0.23 2.33 1.57 -1.03 -0.72 116.57 118.23 2jns h LYS 23 Ca 0.01 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2jns h LYS 23 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2jns h LYS 23 CO 0.00 0.04 -0.04 0.00 -0.57 0.00 0.00 179.45 178.88 2jns h ARG 24 N 0.07 0.43 -0.87 3.15 2.47 -1.28 -3.10 114.38 115.25 2jns h ARG 24 Ca 0.13 -0.16 0.12 0.00 -1.26 0.00 0.00 59.98 58.81 2jns h ARG 24 Cb 0.18 -0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.39 2jns h ARG 24 CO -0.23 0.66 0.50 0.37 0.56 0.00 0.00 179.97 181.82 2jns h GLN 25 N 0.18 0.76 -0.98 0.04 5.75 -0.98 -1.10 115.11 118.78 2jns h GLN 25 Ca 0.06 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 2jns h GLN 25 Cb 0.49 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.80 2jns h GLN 25 CO 0.02 0.50 0.64 1.25 -2.65 0.00 0.00 178.83 178.58 2jns h LEU 26 N 0.78 0.99 -0.62 -2.39 5.85 -1.06 -2.03 115.31 116.83 2jns h LEU 26 Ca 0.44 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.12 2jns h LEU 26 Cb 0.49 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2jns h LEU 26 CO -0.29 0.62 0.16 -1.28 -0.34 0.00 0.00 178.44 177.31 2jns h SER 27 N 1.12 0.93 -0.81 1.25 0.87 -1.17 -0.54 113.55 115.19 2jns h SER 27 Ca 0.43 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 2jns h SER 27 Cb 0.23 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 61.89 2jns h SER 27 CO -0.18 0.91 0.50 -0.07 -0.53 0.00 0.00 176.83 177.47 2jns h LEU 28 N 0.90 0.80 -0.22 2.23 -0.00 -1.19 0.38 115.31 118.21 2jns h LEU 28 Ca 0.19 0.01 -0.21 0.00 -0.00 0.00 0.00 57.88 57.88 2jns h LEU 28 Cb 0.34 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 2jns h LEU 28 CO 0.00 0.53 -0.92 0.44 -0.00 0.00 0.00 178.44 178.49 2jns h ASP 29 N 0.94 0.26 -0.65 -0.43 3.32 -1.34 -3.08 116.42 115.45 2jns h ASP 29 Ca 0.35 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2jns h ASP 29 Cb 0.12 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2jns h ASP 29 CO -0.15 1.05 0.42 0.40 -1.72 0.00 0.00 179.24 179.24 2jns h ILE 30 N 0.10 1.14 0.00 0.35 2.04 -0.35 -0.63 117.51 120.16 2jns h ILE 30 Ca -0.05 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2jns h ILE 30 Cb 1.57 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2jns h ILE 30 CO 0.14 0.15 0.00 0.78 0.00 0.00 0.00 178.15 179.23 2jns h ASN 31 N 0.85 0.00 1.58 1.72 2.35 -0.89 -1.43 115.58 119.76 2jns h ASN 31 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2jns h ASN 31 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2jns h ASN 31 CO -0.07 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.82 2jns h LYS 32 N 0.00 0.00 -6.79 0.81 1.79 -1.02 -3.44 116.57 107.92 2jns h LYS 32 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 2jns h LYS 32 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2jns h LYS 32 CO 0.00 0.00 0.38 -0.51 -1.08 0.00 0.00 179.45 178.24 2jns s LEU 33 N -6.10 4.57 0.88 2.94 1.43 -0.54 -5.05 118.68 116.81 2jns s LEU 33 Ca 0.05 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.04 2jns s LEU 33 Cb 0.07 -3.69 0.12 0.00 0.03 0.00 0.00 46.19 42.72 2jns s LEU 33 CO 0.61 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 176.18 2jns s PRO 34 N -1.41 1.36 0.26 1.29 0.04 -1.26 -4.73 135.00 130.55 2jns s PRO 34 Ca 0.44 0.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.02 2jns s PRO 34 Cb -0.26 -1.84 0.46 0.00 0.04 0.00 0.00 34.50 32.90 2jns s PRO 34 CO 0.33 -2.10 1.82 0.78 0.04 0.00 0.00 177.00 177.86 2jns h GLY 35 N -1.44 1.42 2.00 0.56 0.00 -1.97 0.54 103.07 104.18 2jns h GLY 35 Ca -0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 2jns h GLY 35 CO 0.59 0.14 -0.00 1.05 0.00 0.00 0.00 176.54 178.31 2jns h GLU 36 N 0.87 0.00 -0.00 4.80 4.11 -2.04 -1.51 114.58 120.81 2jns h GLU 36 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.87 2jns h GLU 36 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2jns h GLU 36 CO -0.26 0.00 -0.31 1.63 0.07 0.00 0.00 179.01 180.15 2jns n LYS 37 N -3.18 3.28 0.00 1.06 5.02 -0.06 -4.61 118.16 119.67 2jns n LYS 37 Ca -0.03 -0.25 -0.14 0.00 -2.02 0.00 0.00 58.31 55.87 2jns n LYS 37 Cb 0.08 -0.97 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 2jns n LYS 37 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2jns h LEU 38 N 0.45 0.76 -1.58 -0.35 5.85 0.11 -3.07 115.31 117.47 2jns h LEU 38 Ca 0.00 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.29 2jns h LEU 38 Cb 0.25 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2jns h LEU 38 CO 0.00 1.26 0.35 1.23 -0.34 0.00 0.00 178.44 180.94 2jns h GLY 39 N 0.86 0.63 2.00 3.75 0.00 -1.80 -0.04 103.07 108.47 2jns h GLY 39 Ca -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2jns h GLY 39 CO 0.14 0.17 -0.08 -0.09 0.00 0.00 0.00 176.54 176.68 2jns h ARG 40 N 0.52 0.00 0.46 4.80 9.65 -1.83 -2.20 114.38 125.78 2jns h ARG 40 Ca 0.23 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 2jns h ARG 40 Cb 0.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2jns h ARG 40 CO -0.06 0.08 -0.22 0.28 2.80 0.00 0.00 179.97 182.84 2jns h VAL 41 N 0.00 0.43 -0.93 0.20 2.07 -1.06 -3.17 116.25 113.79 2jns h VAL 41 Ca -0.00 -0.45 0.18 0.00 0.82 0.00 0.00 66.70 67.24 2jns h VAL 41 Cb 0.17 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 2jns h VAL 41 CO 0.01 0.06 0.60 0.58 0.02 0.00 0.00 177.57 178.84 2jns h VAL 42 N -0.93 0.75 -0.37 2.57 2.07 -1.39 -0.80 116.25 118.15 2jns h VAL 42 Ca -0.06 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.31 2jns h VAL 42 Cb 0.58 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2jns h VAL 42 CO 0.10 0.11 0.26 0.45 0.02 0.00 0.00 177.57 178.51 2jns h HIS 43 N 0.62 0.23 -0.42 1.57 -0.00 -1.41 -0.29 115.15 115.44 2jns h HIS 43 Ca 0.49 0.01 -0.15 0.00 -0.00 0.00 0.00 60.37 60.72 2jns h HIS 43 Cb 0.92 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.25 2jns h HIS 43 CO -0.00 0.12 -0.33 0.82 -0.00 0.00 0.00 177.93 178.54 2jns h ILE 44 N 0.23 1.27 -0.70 2.45 2.04 -1.19 -2.57 117.51 119.03 2jns h ILE 44 Ca 0.17 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.47 2jns h ILE 44 Cb 0.38 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 2jns h ILE 44 CO -0.03 0.51 0.20 0.40 0.00 0.00 0.00 178.15 179.23 2jns h ILE 45 N 0.80 1.26 0.00 -0.67 5.03 -1.14 -1.62 117.51 121.15 2jns h ILE 45 Ca 0.08 -0.90 0.00 0.00 -0.12 0.00 0.00 64.86 63.92 2jns h ILE 45 Cb 0.92 0.50 0.00 0.00 -3.03 0.00 0.00 36.82 35.21 2jns h ILE 45 CO 0.09 0.35 0.06 1.56 -0.68 0.00 0.00 178.15 179.53 2jns h GLN 46 N 1.04 0.00 0.01 2.37 4.20 -0.84 0.19 115.11 122.08 2jns h GLN 46 Ca 0.22 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2jns h GLN 46 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2jns h GLN 46 CO -0.00 0.00 -0.13 1.03 -0.67 0.00 0.00 178.83 179.05 2jns h SER 47 N 0.00 0.10 0.28 1.46 0.87 -1.09 -3.38 113.55 111.79 2jns h SER 47 Ca 0.00 -0.85 -0.18 0.00 -1.23 0.00 0.00 61.79 59.52 2jns h SER 47 Cb 0.12 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2jns h SER 47 CO 0.00 0.94 -0.73 0.03 -0.53 0.00 0.00 176.83 176.54 2jns h ARG 48 N -0.73 0.39 -4.70 2.24 2.47 -1.03 -3.42 114.38 109.59 2jns h ARG 48 Ca -0.02 -0.32 -0.68 0.00 -1.26 0.00 0.00 59.98 57.70 2jns h ARG 48 Cb 0.97 0.07 -0.34 0.00 -1.65 0.00 0.00 29.97 29.02 2jns h ARG 48 CO 0.03 0.96 -0.67 -1.21 0.56 0.00 0.00 179.97 179.63 2jns s GLU 49 N -3.60 2.24 0.22 0.04 0.41 0.55 -5.01 118.70 113.54 2jns s GLU 49 Ca -0.05 -1.45 -0.06 0.00 -0.41 0.00 0.00 54.97 52.99 2jns s GLU 49 Cb 0.10 -3.26 0.19 0.00 -1.78 0.00 0.00 34.13 29.39 2jns s GLU 49 CO 0.84 -0.75 1.73 -1.00 -0.49 0.00 0.00 175.26 175.59 2jns h PRO 50 N 7.96 1.02 0.00 0.39 0.13 -1.83 -2.77 132.00 136.91 2jns h PRO 50 Ca -0.18 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2jns h PRO 50 Cb 1.05 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2jns h PRO 50 CO 0.56 0.94 0.00 1.03 -0.23 0.00 0.00 178.00 180.30 2jns h SER 51 N 0.96 0.00 -0.00 1.44 0.87 -1.95 -1.92 113.55 112.95 2jns h SER 51 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2jns h SER 51 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2jns h SER 51 CO 0.01 0.00 -0.44 0.18 -0.53 0.00 0.00 176.83 176.05 2jns n LEU 52 N -2.37 2.03 -4.83 2.23 7.99 -1.06 -4.88 117.00 116.10 2jns n LEU 52 Ca 0.01 -0.74 -0.32 0.00 -0.01 0.00 0.00 56.01 54.95 2jns n LEU 52 Cb 0.21 -0.01 0.01 0.00 -0.11 0.00 0.00 43.42 43.52 2jns n LEU 52 CO 0.19 0.37 0.71 -0.75 -1.51 0.00 0.00 177.39 176.40 2jns s LYS 53 N -2.46 3.45 0.00 3.23 2.20 -0.72 -3.71 119.74 121.73 2jns s LYS 53 Ca 0.19 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 2jns s LYS 53 Cb 0.18 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 2jns s LYS 53 CO 0.56 -0.69 0.00 0.09 -0.36 0.00 0.00 175.35 174.95 2jns n ASN 54 N -2.29 0.00 -4.75 1.43 3.02 -1.26 -4.97 115.26 106.44 2jns n ASN 54 Ca 0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2jns n ASN 54 Cb 0.54 -0.14 0.13 0.00 -0.61 0.00 0.00 39.78 39.69 2jns n ASN 54 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jns s SER 55 N -0.90 3.64 0.30 6.41 0.01 -1.24 -5.05 113.70 116.86 2jns s SER 55 Ca 0.00 1.30 -0.21 0.00 1.31 0.00 0.00 55.95 58.35 2jns s SER 55 Cb 0.00 -1.98 -0.09 0.00 0.21 0.00 0.00 66.02 64.16 2jns s SER 55 CO 0.00 -2.51 0.82 0.21 0.41 0.00 0.00 173.24 172.17 2jns s ASN 56 N -3.67 7.06 0.35 2.44 2.47 -1.26 -4.99 114.94 117.34 2jns s ASN 56 Ca 0.63 1.54 0.06 0.00 0.42 0.00 0.00 52.86 55.52 2jns s ASN 56 Cb -0.16 -2.47 0.66 0.00 -1.45 0.00 0.00 41.25 37.82 2jns s ASN 56 CO 0.56 -0.10 1.88 1.55 -3.72 0.00 0.00 177.10 177.26 2jns h PRO 57 N 2.90 0.41 0.00 0.43 0.13 -1.94 -2.14 132.00 131.80 2jns h PRO 57 Ca -0.48 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2jns h PRO 57 Cb 1.19 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jns h PRO 57 CO 0.65 0.50 0.00 -3.47 -0.23 0.00 0.00 178.00 175.44 2jns n ASP 58 N -4.26 0.00 -0.33 1.44 2.03 -1.26 -3.17 116.55 111.00 2jns n ASP 58 Ca 0.00 -0.71 0.04 0.00 0.52 0.00 0.00 54.79 54.65 2jns n ASP 58 Cb 0.27 -0.09 0.03 0.00 -0.72 0.00 0.00 41.12 40.61 2jns n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jns n GLU 59 N -1.09 0.23 -3.96 -0.67 1.02 -0.81 -4.95 120.64 110.41 2jns n GLU 59 Ca 0.20 -0.98 -0.35 0.00 -0.02 0.00 0.00 57.16 56.01 2jns n GLU 59 Cb 0.14 -1.15 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 2jns n GLU 59 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jns s ILE 60 N -0.71 4.46 0.23 -3.67 1.01 -1.16 -4.94 121.20 116.43 2jns s ILE 60 Ca 0.10 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 2jns s ILE 60 Cb 0.07 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 2jns s ILE 60 CO 0.11 0.41 0.73 -1.83 0.00 0.00 0.00 174.94 174.35 2jns s GLU 61 N 0.93 4.23 -0.44 2.79 1.03 -1.26 -4.99 118.70 120.99 2jns s GLU 61 Ca 0.03 0.86 -0.10 0.00 0.03 0.00 0.00 54.97 55.79 2jns s GLU 61 Cb -0.14 -2.84 0.09 0.00 -0.80 0.00 0.00 34.13 30.44 2jns s GLU 61 CO 0.03 0.37 0.31 0.42 -1.33 0.00 0.00 175.26 175.06 2jns s ILE 62 N -1.56 4.39 -0.20 1.83 1.01 -1.26 -5.05 121.20 120.37 2jns s ILE 62 Ca 0.44 -1.46 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 2jns s ILE 62 Cb -0.16 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.58 2jns s ILE 62 CO 0.21 -0.60 -0.14 -1.81 0.00 0.00 0.00 174.94 172.60 2jns s ASP 63 N 2.38 3.58 0.00 3.58 1.01 -1.26 -4.99 116.67 120.97 2jns s ASP 63 Ca 0.04 -0.57 0.25 0.00 0.71 0.00 0.00 52.55 52.98 2jns s ASP 63 Cb -0.24 -1.58 1.29 0.00 1.01 0.00 0.00 42.92 43.40 2jns s ASP 63 CO 0.02 -0.01 1.86 0.49 0.21 0.00 0.00 175.17 177.74 2jns n PHE 64 N 4.68 0.04 0.82 4.23 3.72 -1.26 -2.92 117.46 126.77 2jns n PHE 64 Ca -0.20 -0.02 0.10 0.00 -0.05 0.00 0.00 57.45 57.28 2jns n PHE 64 Cb 0.50 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.92 2jns n PHE 64 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2jns n GLU 65 N -0.47 0.27 -0.02 -1.08 0.28 -1.26 -4.47 120.64 113.90 2jns n GLU 65 Ca 0.19 -0.03 -0.02 0.00 -0.16 0.00 0.00 57.16 57.13 2jns n GLU 65 Cb 0.18 -1.48 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 2jns n GLU 65 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2jns n THR 66 N -1.60 0.34 -2.40 3.84 -2.24 -1.23 -5.02 114.28 105.97 2jns n THR 66 Ca 0.03 -0.21 -0.35 0.00 -2.27 0.00 0.00 64.05 61.24 2jns n THR 66 Cb 0.35 -0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 67.73 2jns n THR 66 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2jns s LEU 67 N -4.35 3.83 0.61 3.22 1.43 -1.15 -5.02 118.68 117.25 2jns s LEU 67 Ca -0.03 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.01 2jns s LEU 67 Cb 0.02 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.68 2jns s LEU 67 CO 0.21 -0.96 1.04 -0.54 0.23 0.00 0.00 176.35 176.33 2jns s LYS 68 N -3.17 3.37 0.23 1.70 1.02 -1.26 -4.93 119.74 116.69 2jns s LYS 68 Ca 0.69 1.01 -0.07 0.00 0.02 0.00 0.00 55.97 57.62 2jns s LYS 68 Cb -0.21 -2.05 0.30 0.00 -0.52 0.00 0.00 37.83 35.35 2jns s LYS 68 CO 0.24 -0.76 1.83 -1.00 -0.92 0.00 0.00 175.35 174.74 2jns h PRO 69 N 0.06 0.80 0.00 -1.68 0.13 -1.95 -0.68 132.00 128.68 2jns h PRO 69 Ca -0.45 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2jns h PRO 69 Cb 1.21 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2jns h PRO 69 CO 0.59 0.53 -0.20 1.03 -0.23 0.00 0.00 178.00 179.72 2jns h SER 70 N 0.83 0.00 0.06 1.44 0.87 -1.93 -1.82 113.55 113.00 2jns h SER 70 Ca 0.34 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.90 2jns h SER 70 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2jns h SER 70 CO -0.18 0.20 -0.03 0.74 -0.53 0.00 0.00 176.83 177.03 2jns h THR 71 N 0.00 1.07 -0.71 2.23 2.02 -1.50 -2.94 112.91 113.08 2jns h THR 71 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2jns h THR 71 Cb 0.36 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 2jns h THR 71 CO 0.03 0.11 0.46 -0.07 0.37 0.00 0.00 175.52 176.41 2jns h LEU 72 N -0.28 0.83 -1.40 2.58 3.38 -1.22 -2.46 115.31 116.74 2jns h LEU 72 Ca -0.01 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.02 2jns h LEU 72 Cb 0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2jns h LEU 72 CO 0.01 0.61 0.49 -0.09 0.09 0.00 0.00 178.44 179.55 2jns h ARG 73 N 0.97 0.67 0.13 1.13 9.65 -1.17 -0.72 114.38 125.05 2jns h ARG 73 Ca 0.26 -0.04 -0.28 0.00 -1.10 0.00 0.00 59.98 58.82 2jns h ARG 73 Cb -0.09 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 28.35 2jns h ARG 73 CO -0.05 0.44 -1.23 0.93 2.80 0.00 0.00 179.97 182.86 2jns h GLU 74 N 0.69 0.36 -0.16 0.20 5.08 -1.37 -3.06 114.58 116.30 2jns h GLU 74 Ca 0.34 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2jns h GLU 74 Cb 0.41 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jns h GLU 74 CO -0.12 1.25 0.10 -0.07 -1.00 0.00 0.00 179.01 179.17 2jns h LEU 75 N 0.12 0.19 -0.61 1.33 3.38 -1.25 -2.45 115.31 116.02 2jns h LEU 75 Ca -0.15 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2jns h LEU 75 Cb 1.94 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.57 2jns h LEU 75 CO 0.21 0.18 0.26 -0.08 0.09 0.00 0.00 178.44 179.10 2jns h GLU 76 N 0.19 0.45 -0.87 1.13 4.81 -1.25 -1.98 114.58 117.07 2jns h GLU 76 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2jns h GLU 76 Cb 0.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2jns h GLU 76 CO -0.01 0.30 0.48 -0.09 -0.73 0.00 0.00 179.01 178.96 2jns h ARG 77 N 0.47 1.21 0.23 1.92 2.43 -1.38 -0.66 114.38 118.59 2jns h ARG 77 Ca 0.30 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2jns h ARG 77 Cb 0.33 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2jns h ARG 77 CO -0.27 0.88 -0.11 -0.92 -1.51 0.00 0.00 179.97 178.04 2jns h TYR 78 N 1.21 -0.29 -0.05 2.20 3.20 -0.91 -1.11 116.97 121.23 2jns h TYR 78 Ca 0.31 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2jns h TYR 78 Cb 0.02 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2jns h TYR 78 CO 0.01 -0.05 0.02 -0.39 -1.64 0.00 0.00 178.16 176.11 2jns h VAL 79 N -0.50 1.12 -0.61 1.81 -1.51 -1.35 -1.32 116.25 113.90 2jns h VAL 79 Ca -0.03 -0.36 0.06 0.00 -1.23 0.00 0.00 66.70 65.14 2jns h VAL 79 Cb 0.37 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 30.77 2jns h VAL 79 CO 0.05 0.10 0.40 0.74 -1.23 0.00 0.00 177.57 177.64 2jns h THR 80 N -0.06 1.01 0.00 7.19 2.02 -1.14 -0.43 112.91 121.50 2jns h THR 80 Ca 0.02 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 2jns h THR 80 Cb 0.14 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2jns h THR 80 CO -0.00 0.11 -0.61 -1.28 0.37 0.00 0.00 175.52 174.11 2jns h SER 81 N 0.60 0.00 -0.26 4.18 0.87 -0.88 0.29 113.55 118.35 2jns h SER 81 Ca 0.26 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 2jns h SER 81 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2jns h SER 81 CO -0.08 0.35 -0.08 0.00 -0.53 0.00 0.00 176.83 176.50 2jns h LEU 83 N 0.26 0.73 -7.78 0.00 3.38 -1.27 -3.40 115.31 107.24 2jns h LEU 83 Ca 0.06 -0.87 -0.76 0.00 0.09 0.00 0.00 57.88 56.40 2jns h LEU 83 Cb 0.56 -0.23 -0.23 0.00 0.09 0.00 0.00 40.66 40.85 2jns h LEU 83 CO 0.03 1.54 0.59 -0.60 0.09 0.00 0.00 178.44 180.09 2jns s ARG 84 N -2.78 3.84 -0.53 1.13 3.52 0.10 -5.00 118.95 119.23 2jns s ARG 84 Ca -0.11 -2.50 -0.38 0.00 -0.13 0.00 0.00 55.73 52.62 2jns s ARG 84 Cb 0.04 -4.70 -0.16 0.00 -1.56 0.00 0.00 34.95 28.57 2jns s ARG 84 CO 0.90 -1.48 2.27 1.17 -0.81 0.00 0.00 175.30 177.34 2jns n LYS 85 N 4.60 0.45 -3.75 5.12 3.00 -1.26 -4.54 118.16 121.79 2jns n LYS 85 Ca 0.23 0.10 -0.13 0.00 -0.00 0.00 0.00 58.31 58.51 2jns n LYS 85 Cb 0.45 -1.96 -0.10 0.00 0.00 0.00 0.00 35.03 33.42 2jns n LYS 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2jns s LYS 86 N 6.70 0.48 1.00 1.64 2.36 -1.26 -5.15 119.74 125.51 2jns s LYS 86 Ca 1.18 0.38 -0.17 0.00 -2.55 0.00 0.00 55.97 54.81 2jns s LYS 86 Cb -1.15 0.23 0.21 0.00 -1.05 0.00 0.00 37.83 36.07 2jns s LYS 86 CO 0.55 -0.08 1.29 1.03 1.55 0.00 0.00 175.35 179.69 2jns s ARG 87 N -0.10 0.32 0.08 4.03 1.81 -1.26 -5.08 118.95 118.74 2jns s ARG 87 Ca -0.03 -0.35 0.04 0.00 -1.72 0.00 0.00 55.73 53.67 2jns s ARG 87 Cb -0.03 -1.80 -0.03 0.00 -0.45 0.00 0.00 34.95 32.64 2jns s ARG 87 CO 0.01 -2.64 -0.11 0.15 -0.68 0.00 0.00 175.30 172.03 2jns s LYS 88 N -5.81 0.79 -0.38 3.54 -0.14 -1.26 -5.09 119.74 111.39 2jns s LYS 88 Ca 0.73 -1.03 -0.28 0.00 -1.36 0.00 0.00 55.97 54.04 2jns s LYS 88 Cb -0.05 -0.59 -0.02 0.00 -1.68 0.00 0.00 37.83 35.49 2jns s LYS 88 CO 0.53 0.11 1.82 -1.25 -0.76 0.00 0.00 175.35 175.81 2jns s PRO 89 N -2.26 3.18 0.00 -1.68 0.04 -1.26 -5.38 135.00 127.65 2jns s PRO 89 Ca 0.01 1.29 0.21 0.00 0.04 0.00 0.00 61.00 62.55 2jns s PRO 89 Cb -0.06 -4.24 1.28 0.00 0.04 0.00 0.00 34.50 31.52 2jns s PRO 89 CO 0.01 -2.04 1.66 0.94 0.04 0.00 0.00 177.00 177.61