#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 0.02 -0.13 1.61 0.01 -1.26 -5.14 113.70 108.81 2jns s SER 2 Ca 0.00 -0.07 -0.05 0.00 1.31 0.00 0.00 55.95 57.15 2jns s SER 2 Cb 0.00 0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.41 2jns s SER 2 CO 0.00 -0.12 0.26 -0.55 0.41 0.00 0.00 173.24 173.24 2jns s SER 3 N -0.47 0.36 0.00 2.44 0.15 -1.26 -5.10 113.70 109.82 2jns s SER 3 Ca -0.05 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2jns s SER 3 Cb -0.03 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2jns s SER 3 CO -0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2jns n GLY 4 N 5.35 -0.57 3.76 9.45 0.00 -1.26 -4.91 105.19 117.01 2jns n GLY 4 Ca -0.06 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2jns n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jns s SER 5 N -2.68 6.56 0.24 1.61 0.15 -1.26 -4.99 113.70 113.33 2jns s SER 5 Ca 0.00 2.82 -0.22 0.00 0.70 0.00 0.00 55.95 59.26 2jns s SER 5 Cb 0.00 -2.64 0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2jns s SER 5 CO 0.00 -0.73 0.84 -0.44 1.20 0.00 0.00 173.24 174.10 2jns s SER 6 N 0.00 -0.17 -0.34 5.45 0.01 -1.26 -5.15 113.70 112.25 2jns s SER 6 Ca 0.55 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.21 2jns s SER 6 Cb -0.43 0.65 0.30 0.00 0.21 0.00 0.00 66.02 66.75 2jns s SER 6 CO 0.52 -1.22 1.32 0.61 0.41 0.00 0.00 173.24 174.88 2jns n GLY 7 N -0.49 -1.47 3.22 3.44 0.00 -1.26 -5.06 105.19 103.57 2jns n GLY 7 Ca -0.05 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.41 2jns n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jns n GLU 8 N 0.90 3.07 -0.94 1.61 4.07 -1.26 -4.87 120.64 123.22 2jns n GLU 8 Ca -0.02 -3.02 -0.25 0.00 -0.06 0.00 0.00 57.16 53.81 2jns n GLU 8 Cb 0.73 -3.40 -0.05 0.00 -0.06 0.00 0.00 31.44 28.66 2jns n GLU 8 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2jns n SER 9 N 7.36 6.05 -0.02 4.31 3.41 -1.26 -4.66 113.62 128.81 2jns n SER 9 Ca 0.50 -2.39 -0.12 0.00 -0.26 0.00 0.00 58.87 56.60 2jns n SER 9 Cb 0.43 -1.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.13 2jns n SER 9 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2jns h GLU 10 N 5.22 0.67 -0.73 4.33 -0.00 -2.01 -3.33 114.58 118.73 2jns h GLU 10 Ca 0.54 -0.45 0.14 0.00 -0.00 0.00 0.00 59.36 59.59 2jns h GLU 10 Cb 0.45 0.07 -0.05 0.00 -0.00 0.00 0.00 28.75 29.21 2jns h GLU 10 CO 1.28 1.07 0.49 0.93 -0.00 0.00 0.00 179.01 182.78 2jns h GLU 11 N 0.50 0.42 0.00 1.06 5.08 -1.96 -0.88 114.58 118.79 2jns h GLU 11 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jns h GLU 11 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2jns h GLU 11 CO 0.12 0.28 0.00 -0.85 -1.00 0.00 0.00 179.01 177.56 2jns n GLU 12 N -4.48 0.27 -0.48 2.33 0.28 -1.25 -2.70 120.64 114.61 2jns n GLU 12 Ca 0.14 0.09 0.11 0.00 -0.16 0.00 0.00 57.16 57.34 2jns n GLU 12 Cb 0.50 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 32.21 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 -1.31 4.31 -3.85 -1.84 2.03 -0.34 -4.94 116.55 110.62 2jns n ASP 13 Ca 0.10 -2.19 -0.23 0.00 0.52 0.00 0.00 54.79 52.98 2jns n ASP 13 Cb 0.18 -0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 39.97 2jns n ASP 13 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jns s LYS 14 N -1.36 1.87 -0.24 -0.67 3.01 -1.10 -5.14 119.74 116.11 2jns s LYS 14 Ca 0.50 -2.13 -0.04 0.00 -1.01 0.00 0.00 55.97 53.30 2jns s LYS 14 Cb 0.29 -0.27 0.10 0.00 -1.01 0.00 0.00 37.83 36.93 2jns s LYS 14 CO 0.30 -0.55 0.18 0.00 0.51 0.00 0.00 175.35 175.79 2jns s LYS 16 N 2.23 2.65 0.83 0.00 1.02 -1.26 -4.85 119.74 120.36 2jns s LYS 16 Ca 0.07 1.54 -0.11 0.00 0.02 0.00 0.00 55.97 57.49 2jns s LYS 16 Cb -0.16 -1.92 0.09 0.00 -0.52 0.00 0.00 37.83 35.33 2jns s LYS 16 CO -0.22 -1.40 1.10 -1.25 -0.92 0.00 0.00 175.35 172.66 2jns s PRO 17 N -3.93 1.77 -0.11 -1.68 0.04 -1.26 -4.61 135.00 125.22 2jns s PRO 17 Ca 0.70 1.10 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 2jns s PRO 17 Cb -0.24 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2jns s PRO 17 CO 0.41 -1.96 -0.08 -1.64 0.04 0.00 0.00 177.00 173.77 2jns s MET 18 N -4.88 1.50 0.84 4.56 -1.94 -1.26 -5.08 119.30 113.04 2jns s MET 18 Ca 0.63 -0.26 -0.13 0.00 -1.71 0.00 0.00 55.69 54.22 2jns s MET 18 Cb -0.18 -1.54 0.10 0.00 2.01 0.00 0.00 34.83 35.22 2jns s MET 18 CO 0.57 -0.24 1.20 -1.12 -0.01 0.00 0.00 175.02 175.42 2jns s SER 19 N 1.60 4.23 0.35 3.03 0.01 -1.26 -4.86 113.70 116.80 2jns s SER 19 Ca 0.03 0.67 0.02 0.00 1.31 0.00 0.00 55.95 57.97 2jns s SER 19 Cb -0.13 -1.07 0.62 0.00 0.21 0.00 0.00 66.02 65.65 2jns s SER 19 CO -0.07 -2.06 1.99 0.22 0.41 0.00 0.00 173.24 173.73 2jns h TYR 20 N -1.16 0.79 -0.78 2.43 3.20 -2.00 -0.82 116.97 118.63 2jns h TYR 20 Ca -0.46 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 2jns h TYR 20 Cb 1.31 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 2jns h TYR 20 CO 0.02 0.52 0.48 0.93 -1.64 0.00 0.00 178.16 178.47 2jns h GLU 21 N 0.84 1.05 -0.13 1.82 5.08 -1.99 -0.35 114.58 120.90 2jns h GLU 21 Ca 0.22 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2jns h GLU 21 Cb -0.05 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 28.97 2jns h GLU 21 CO -0.04 0.74 -0.22 0.93 -1.00 0.00 0.00 179.01 179.41 2jns h GLU 22 N 1.07 0.38 -0.63 2.33 4.39 -1.69 -1.50 114.58 118.93 2jns h GLU 22 Ca 0.28 -0.23 0.06 0.00 0.34 0.00 0.00 59.36 59.81 2jns h GLU 22 Cb -0.06 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 2jns h GLU 22 CO -0.05 0.82 0.33 0.87 -1.16 0.00 0.00 179.01 179.82 2jns h LYS 23 N -0.02 0.59 -0.18 2.33 1.57 -0.90 -0.28 116.57 119.68 2jns h LYS 23 Ca 0.01 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 2jns h LYS 23 Cb 0.80 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2jns h LYS 23 CO 0.05 0.39 -0.36 0.00 -0.57 0.00 0.00 179.45 178.97 2jns h ARG 24 N 0.61 0.55 -0.73 3.15 2.47 -1.07 -2.68 114.38 116.68 2jns h ARG 24 Ca 0.29 -0.36 0.08 0.00 -1.26 0.00 0.00 59.98 58.73 2jns h ARG 24 Cb 0.20 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.50 2jns h ARG 24 CO -0.19 0.97 0.39 0.37 0.56 0.00 0.00 179.97 182.06 2jns h GLN 25 N 0.20 0.65 -0.98 0.04 5.75 -0.84 -0.25 115.11 119.69 2jns h GLN 25 Ca 0.01 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2jns h GLN 25 Cb 0.95 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 29.30 2jns h GLN 25 CO 0.08 0.43 0.64 1.25 -2.65 0.00 0.00 178.83 178.58 2jns h LEU 26 N 0.67 1.04 -0.71 -2.39 5.85 -1.01 -1.66 115.31 117.11 2jns h LEU 26 Ca 0.35 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 2jns h LEU 26 Cb 0.32 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2jns h LEU 26 CO -0.24 0.69 0.34 -1.28 -0.34 0.00 0.00 178.44 177.61 2jns h SER 27 N 1.20 0.93 -0.32 1.25 0.87 -0.71 -0.15 113.55 116.61 2jns h SER 27 Ca 0.40 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2jns h SER 27 Cb 0.08 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2jns h SER 27 CO -0.14 0.80 0.18 -0.07 -0.53 0.00 0.00 176.83 177.08 2jns h LEU 28 N 0.99 0.40 -0.56 2.23 -0.00 -0.59 -1.64 115.31 116.14 2jns h LEU 28 Ca 0.24 -0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2jns h LEU 28 Cb 0.13 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 2jns h LEU 28 CO -0.03 0.36 0.17 0.44 -0.00 0.00 0.00 178.44 179.37 2jns h ASP 29 N 0.41 0.82 -0.54 -0.43 3.32 -1.16 -2.64 116.42 116.19 2jns h ASP 29 Ca 0.11 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2jns h ASP 29 Cb 0.04 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2jns h ASP 29 CO -0.02 0.82 0.36 0.40 -1.72 0.00 0.00 179.24 179.08 2jns h ILE 30 N 0.78 1.03 0.00 0.35 2.04 -0.79 -1.32 117.51 119.60 2jns h ILE 30 Ca 0.18 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2jns h ILE 30 Cb 0.30 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2jns h ILE 30 CO -0.00 0.10 0.00 0.78 0.00 0.00 0.00 178.15 179.03 2jns h ASN 31 N 0.57 0.00 1.71 1.72 2.35 -0.92 -2.99 115.58 118.01 2jns h ASN 31 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2jns h ASN 31 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2jns h ASN 31 CO -0.06 0.00 0.00 0.11 -1.65 0.00 0.00 177.43 175.83 2jns h LYS 32 N 0.00 0.00 -6.98 0.81 1.79 -1.20 -3.46 116.57 107.53 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 0.56 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.26 2jns h LYS 32 CO 0.00 0.00 0.45 -0.51 -1.08 0.00 0.00 179.45 178.31 2jns s LEU 33 N -5.28 4.07 0.63 2.94 1.43 -1.13 -5.04 118.68 116.30 2jns s LEU 33 Ca 0.09 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 2jns s LEU 33 Cb 0.09 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 2jns s LEU 33 CO 0.63 -0.72 1.04 -2.16 0.23 0.00 0.00 176.35 175.37 2jns s PRO 34 N -2.61 3.39 0.30 1.29 0.04 -1.26 -4.84 135.00 131.31 2jns s PRO 34 Ca 0.61 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 2jns s PRO 34 Cb -0.25 -2.05 0.49 0.00 0.04 0.00 0.00 34.50 32.73 2jns s PRO 34 CO 0.31 -0.73 1.93 0.78 0.04 0.00 0.00 177.00 179.33 2jns h GLY 35 N -0.17 1.27 2.00 0.56 0.00 -1.99 -0.24 103.07 104.51 2jns h GLY 35 Ca -0.45 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2jns h GLY 35 CO 0.60 0.35 0.00 1.05 0.00 0.00 0.00 176.54 178.53 2jns h GLU 36 N 1.07 0.00 0.00 4.80 4.11 -2.04 -2.30 114.58 120.22 2jns h GLU 36 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 2jns h GLU 36 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2jns h GLU 36 CO -0.12 0.00 -1.06 1.63 0.07 0.00 0.00 179.01 179.53 2jns n LYS 37 N -2.88 1.21 -0.34 1.06 5.02 -0.53 -4.67 118.16 117.02 2jns n LYS 37 Ca -0.03 -0.04 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 2jns n LYS 37 Cb 0.07 -1.06 0.17 0.00 -0.02 0.00 0.00 35.03 34.18 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 0.00 0.94 0.00 -0.35 6.46 -0.49 -0.88 115.31 120.99 2jns h LEU 38 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2jns h LEU 38 Cb 0.24 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 2jns h LEU 38 CO 0.00 0.59 0.00 0.61 -0.62 0.00 0.00 178.44 179.02 2jns n GLY 39 N -1.35 -0.63 0.11 3.75 0.00 -1.23 -0.79 105.19 105.05 2jns n GLY 39 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.16 2jns n GLY 39 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jns h ARG 40 N 0.00 0.00 0.49 1.61 9.65 -1.48 -3.36 114.38 121.29 2jns h ARG 40 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2jns h ARG 40 Cb 0.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2jns h ARG 40 CO 0.00 0.29 -0.24 0.28 2.80 0.00 0.00 179.97 183.11 2jns h VAL 41 N 0.00 0.49 -0.97 0.20 2.07 -1.02 -3.08 116.25 113.95 2jns h VAL 41 Ca -0.11 -0.22 0.21 0.00 0.82 0.00 0.00 66.70 67.40 2jns h VAL 41 Cb 1.47 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 2jns h VAL 41 CO 0.04 0.04 0.62 1.62 0.02 0.00 0.00 177.57 179.91 2jns h VAL 42 N -0.80 0.66 0.00 2.57 3.04 -1.72 0.51 116.25 120.51 2jns h VAL 42 Ca -0.07 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.42 2jns h VAL 42 Cb 0.57 0.09 -0.00 0.00 -2.01 0.00 0.00 31.29 29.93 2jns h VAL 42 CO 0.11 0.10 -0.13 0.45 -1.01 0.00 0.00 177.57 177.09 2jns h HIS 43 N 0.52 0.00 -0.13 3.17 -0.00 -1.68 -2.35 115.15 114.69 2jns h HIS 43 Ca 0.53 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.85 2jns h HIS 43 Cb 1.15 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.56 2jns h HIS 43 CO -0.00 0.13 -0.12 0.82 -0.00 0.00 0.00 177.93 178.76 2jns h ILE 44 N 0.00 1.34 -0.80 2.45 2.04 -0.93 -3.08 117.51 118.54 2jns h ILE 44 Ca -0.00 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.60 2jns h ILE 44 Cb 0.33 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2jns h ILE 44 CO 0.02 0.36 0.45 0.40 0.00 0.00 0.00 178.15 179.38 2jns h ILE 45 N -0.07 1.23 -0.03 -0.67 5.03 -1.47 -1.52 117.51 120.01 2jns h ILE 45 Ca 0.02 -0.55 0.01 0.00 -0.12 0.00 0.00 64.86 64.22 2jns h ILE 45 Cb 0.63 0.13 -0.00 0.00 -3.03 0.00 0.00 36.82 34.55 2jns h ILE 45 CO 0.03 0.25 0.05 1.56 -0.68 0.00 0.00 178.15 179.36 2jns h GLN 46 N 1.11 0.00 0.00 2.37 4.20 -1.37 0.20 115.11 121.61 2jns h GLN 46 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2jns h GLN 46 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2jns h GLN 46 CO -0.05 0.00 0.00 1.03 -0.67 0.00 0.00 178.83 179.14 2jns h SER 47 N 0.00 0.00 0.00 1.46 0.87 -1.21 -3.29 113.55 111.38 2jns h SER 47 Ca 0.01 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.27 2jns h SER 47 Cb 0.11 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 2jns h SER 47 CO -0.00 0.00 -2.14 0.54 -0.53 0.00 0.00 176.83 174.70 2jns n ARG 48 N -2.70 1.04 -3.36 2.24 5.12 0.51 -4.87 116.66 114.63 2jns n ARG 48 Ca 0.03 0.04 -0.46 0.00 -1.93 0.00 0.00 57.85 55.54 2jns n ARG 48 Cb 0.40 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.25 2jns n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2jns s GLU 49 N -2.40 3.28 0.59 5.56 0.41 -0.10 -4.96 118.70 121.07 2jns s GLU 49 Ca -0.15 -2.18 0.33 0.00 -0.41 0.00 0.00 54.97 52.55 2jns s GLU 49 Cb 0.06 -4.32 1.82 0.00 -1.78 0.00 0.00 34.13 29.91 2jns s GLU 49 CO 0.60 -1.29 2.21 -1.00 -0.49 0.00 0.00 175.26 175.29 2jns h PRO 50 N 8.14 0.00 0.12 0.39 0.13 -1.89 -1.70 132.00 137.19 2jns h PRO 50 Ca -0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2jns h PRO 50 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jns h PRO 50 CO 0.85 0.04 -0.06 1.03 -0.23 0.00 0.00 178.00 179.63 2jns h SER 51 N 0.00 -0.13 0.49 1.44 0.87 -1.92 -3.31 113.55 110.98 2jns h SER 51 Ca -0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2jns h SER 51 Cb 0.13 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2jns h SER 51 CO 0.00 0.48 0.00 -0.07 -0.53 0.00 0.00 176.83 176.72 2jns h LEU 52 N -0.93 0.00 -2.85 2.23 -0.00 -1.89 -3.05 115.31 108.82 2jns h LEU 52 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2jns h LEU 52 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2jns h LEU 52 CO 0.03 0.00 0.00 0.07 -0.00 0.00 0.00 178.44 178.54 2jns h LYS 53 N 0.00 0.00 0.00 1.13 2.10 -1.40 -1.47 116.57 116.93 2jns h LYS 53 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jns h LYS 53 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2jns h LYS 53 CO 0.00 0.00 -0.67 -0.91 -2.00 0.00 0.00 179.45 175.87 2jns h ASN 54 N 0.00 0.00 -3.92 7.07 2.35 -1.76 -3.48 115.58 115.84 2jns h ASN 54 Ca 0.00 -0.22 -0.46 0.00 -0.55 0.00 0.00 56.30 55.07 2jns h ASN 54 Cb 0.01 0.00 0.08 0.00 0.05 0.00 0.00 38.32 38.46 2jns h ASN 54 CO 0.00 0.11 0.26 -0.44 -1.65 0.00 0.00 177.43 175.71 2jns s SER 55 N -4.26 4.89 0.47 5.81 0.01 -0.55 -5.08 113.70 114.99 2jns s SER 55 Ca 0.06 0.57 -0.19 0.00 1.31 0.00 0.00 55.95 57.70 2jns s SER 55 Cb 0.13 -1.25 -0.09 0.00 0.21 0.00 0.00 66.02 65.02 2jns s SER 55 CO 0.73 -1.57 0.97 0.21 0.41 0.00 0.00 173.24 173.99 2jns s ASN 56 N -4.49 6.76 0.31 2.44 2.47 -1.26 -4.96 114.94 116.20 2jns s ASN 56 Ca 0.60 1.64 0.02 0.00 0.42 0.00 0.00 52.86 55.53 2jns s ASN 56 Cb -0.11 -2.53 0.56 0.00 -1.45 0.00 0.00 41.25 37.73 2jns s ASN 56 CO 0.46 -0.49 1.90 1.55 -3.72 0.00 0.00 177.10 176.80 2jns h PRO 57 N 1.40 0.96 -0.00 0.43 0.13 -1.96 -0.50 132.00 132.46 2jns h PRO 57 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2jns h PRO 57 Cb 1.18 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2jns h PRO 57 CO 0.61 0.63 -0.08 -0.40 -0.23 0.00 0.00 178.00 178.54 2jns n ASP 58 N -4.51 0.44 -0.53 1.44 5.75 -1.26 -3.32 116.55 114.56 2jns n ASP 58 Ca 0.14 -0.66 0.11 0.00 -0.01 0.00 0.00 54.79 54.37 2jns n ASP 58 Cb 0.23 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2jns n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jns n GLU 59 N -0.90 1.32 -3.71 0.11 -0.58 -0.23 -4.89 120.64 111.77 2jns n GLU 59 Ca 0.16 -1.07 -0.37 0.00 -0.42 0.00 0.00 57.16 55.46 2jns n GLU 59 Cb 0.26 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.54 2jns n GLU 59 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2jns s ILE 60 N -2.41 4.47 0.31 -3.67 1.01 -1.04 -4.84 121.20 115.03 2jns s ILE 60 Ca 0.19 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 2jns s ILE 60 Cb 0.18 -3.16 -0.09 0.00 0.01 0.00 0.00 42.46 39.39 2jns s ILE 60 CO 0.54 0.24 0.85 -1.83 0.00 0.00 0.00 174.94 174.74 2jns s GLU 61 N 1.62 4.34 -0.21 2.79 -1.05 -1.26 -5.01 118.70 119.92 2jns s GLU 61 Ca 0.06 1.06 -0.03 0.00 -0.15 0.00 0.00 54.97 55.91 2jns s GLU 61 Cb -0.16 -2.67 -0.00 0.00 -0.44 0.00 0.00 34.13 30.86 2jns s GLU 61 CO 0.05 0.25 -0.08 0.42 0.95 0.00 0.00 175.26 176.84 2jns s ILE 62 N -1.73 3.05 -0.00 1.83 1.01 -1.26 -5.10 121.20 119.00 2jns s ILE 62 Ca 0.50 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 2jns s ILE 62 Cb -0.15 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 2jns s ILE 62 CO 0.20 0.45 0.02 -0.62 0.00 0.00 0.00 174.94 175.00 2jns s ASP 63 N 1.39 0.05 0.06 3.58 -1.08 -1.26 -5.06 116.67 114.36 2jns s ASP 63 Ca 0.05 -0.12 0.23 0.00 -0.52 0.00 0.00 52.55 52.19 2jns s ASP 63 Cb -0.14 0.09 0.16 0.00 -1.46 0.00 0.00 42.92 41.57 2jns s ASP 63 CO -0.05 -0.13 1.14 0.49 0.52 0.00 0.00 175.17 177.14 2jns n PHE 64 N 2.50 0.31 0.08 -5.34 3.72 -1.26 -3.59 117.46 113.88 2jns n PHE 64 Ca -0.16 0.09 -0.07 0.00 -0.05 0.00 0.00 57.45 57.26 2jns n PHE 64 Cb 0.58 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 2jns n PHE 64 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2jns h GLU 65 N 0.00 0.07 0.01 -1.08 4.11 -1.99 -3.33 114.58 112.37 2jns h GLU 65 Ca 0.00 -0.09 -0.33 0.00 0.07 0.00 0.00 59.36 59.01 2jns h GLU 65 Cb 0.71 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2jns h GLU 65 CO 0.00 0.93 -1.97 0.25 0.07 0.00 0.00 179.01 178.29 2jns n THR 66 N -3.53 1.55 -2.40 -1.06 -2.24 -1.26 -4.93 114.28 100.41 2jns n THR 66 Ca -0.02 -0.80 -0.36 0.00 -2.27 0.00 0.00 64.05 60.60 2jns n THR 66 Cb 0.85 -0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 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 -5.98 4.03 0.66 3.22 1.43 -1.24 -5.03 118.68 115.78 2jns s LEU 67 Ca -0.09 2.16 -0.14 0.00 -1.03 0.00 0.00 54.13 55.04 2jns s LEU 67 Cb 0.07 -4.27 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 2jns s LEU 67 CO 0.81 -0.75 1.08 -0.54 0.23 0.00 0.00 176.35 177.18 2jns s LYS 68 N -2.70 2.93 0.34 1.70 1.02 -1.26 -4.92 119.74 116.84 2jns s LYS 68 Ca 0.62 1.19 0.01 0.00 0.02 0.00 0.00 55.97 57.82 2jns s LYS 68 Cb -0.25 -1.98 0.58 0.00 -0.52 0.00 0.00 37.83 35.67 2jns s LYS 68 CO 0.30 -1.13 1.99 -1.00 -0.92 0.00 0.00 175.35 174.60 2jns h PRO 69 N -0.17 0.89 0.00 -1.68 0.13 -1.94 -1.48 132.00 127.74 2jns h PRO 69 Ca -0.46 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 2jns h PRO 69 Cb 1.23 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2jns h PRO 69 CO 0.55 0.60 -0.24 0.66 -0.23 0.00 0.00 178.00 179.34 2jns h SER 70 N 0.92 0.00 -0.10 1.44 4.64 -1.89 -2.12 113.55 116.44 2jns h SER 70 Ca 0.25 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 2jns h SER 70 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2jns h SER 70 CO -0.05 0.24 -0.32 0.74 -0.87 0.00 0.00 176.83 176.57 2jns h THR 71 N 0.00 1.39 -0.81 2.95 2.02 -1.65 -3.23 112.91 113.59 2jns h THR 71 Ca -0.00 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 2jns h THR 71 Cb 0.43 2.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 2jns h THR 71 CO 0.03 0.49 0.41 -0.07 0.37 0.00 0.00 175.52 176.75 2jns h LEU 72 N -0.05 1.03 -1.73 2.58 3.38 -1.21 -2.07 115.31 117.24 2jns h LEU 72 Ca -0.01 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2jns h LEU 72 Cb 0.95 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2jns h LEU 72 CO 0.07 0.85 0.25 0.03 0.09 0.00 0.00 178.44 179.72 2jns h ARG 73 N 1.14 0.34 -0.00 1.13 2.47 -1.43 -0.55 114.38 117.47 2jns h ARG 73 Ca 0.28 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.80 2jns h ARG 73 Cb 0.07 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2jns h ARG 73 CO -0.04 0.22 -0.81 0.93 0.56 0.00 0.00 179.97 180.84 2jns h GLU 74 N 0.35 0.10 0.09 0.04 4.39 -1.40 -3.21 114.58 114.94 2jns h GLU 74 Ca 0.15 -0.10 -0.18 0.00 0.34 0.00 0.00 59.36 59.57 2jns h GLU 74 Cb 0.18 0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2jns h GLU 74 CO -0.03 0.85 -0.76 -0.07 -1.16 0.00 0.00 179.01 177.84 2jns h LEU 75 N 0.06 0.50 -2.03 1.33 3.38 -1.03 -3.25 115.31 114.27 2jns h LEU 75 Ca -0.02 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.13 2jns h LEU 75 Cb 1.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2jns h LEU 75 CO 0.11 1.34 0.18 -0.08 0.09 0.00 0.00 178.44 180.09 2jns h GLU 76 N -0.26 0.00 0.30 1.13 4.57 -1.25 -1.95 114.58 117.12 2jns h GLU 76 Ca -0.12 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 2jns h GLU 76 Cb 1.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.13 2jns h GLU 76 CO 0.14 0.00 -0.14 -0.09 -1.18 0.00 0.00 179.01 177.74 2jns h ARG 77 N 0.00 -0.39 0.26 1.92 2.43 -1.59 -2.10 114.38 114.92 2jns h ARG 77 Ca 0.12 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2jns h ARG 77 Cb 0.48 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2jns h ARG 77 CO -0.00 -0.17 -0.33 -0.92 -1.51 0.00 0.00 179.97 177.04 2jns h TYR 78 N -0.54 -0.91 -0.33 2.20 3.20 -1.40 -1.39 116.97 117.81 2jns h TYR 78 Ca -0.04 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.88 2jns h TYR 78 Cb 0.40 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 2jns h TYR 78 CO -0.02 -0.46 0.12 -0.39 -1.64 0.00 0.00 178.16 175.77 2jns h VAL 79 N -0.65 0.91 -0.89 1.81 -1.51 -1.57 -0.43 116.25 113.92 2jns h VAL 79 Ca -0.00 -0.09 0.07 0.00 -1.23 0.00 0.00 66.70 65.45 2jns h VAL 79 Cb 0.62 0.62 -0.06 0.00 -2.13 0.00 0.00 31.29 30.34 2jns h VAL 79 CO -0.11 0.05 0.58 0.74 -1.23 0.00 0.00 177.57 177.60 2jns h THR 80 N 0.27 1.04 -0.12 7.19 2.02 -1.13 0.66 112.91 122.85 2jns h THR 80 Ca 0.15 -0.34 -0.21 0.00 0.77 0.00 0.00 66.41 66.78 2jns h THR 80 Cb 0.12 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2jns h THR 80 CO -0.15 0.18 -0.76 -1.28 0.37 0.00 0.00 175.52 173.88 2jns h SER 81 N 0.99 0.74 -0.27 4.18 0.87 -0.41 0.81 113.55 120.45 2jns h SER 81 Ca 0.39 -0.49 -0.14 0.00 -1.23 0.00 0.00 61.79 60.32 2jns h SER 81 Cb 0.24 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2jns h SER 81 CO -0.15 1.26 -0.36 0.00 -0.53 0.00 0.00 176.83 177.05 2jns h LEU 83 N 0.67 0.37 -8.12 0.00 3.38 -0.90 -3.43 115.31 107.27 2jns h LEU 83 Ca 0.06 -0.86 -0.71 0.00 0.09 0.00 0.00 57.88 56.46 2jns h LEU 83 Cb 0.92 -0.12 -0.20 0.00 0.09 0.00 0.00 40.66 41.35 2jns h LEU 83 CO 0.08 1.54 0.18 -0.13 0.09 0.00 0.00 178.44 180.20 2jns s ARG 84 N -2.45 3.13 0.00 1.13 1.81 0.27 -4.89 118.95 117.96 2jns s ARG 84 Ca -0.19 -1.44 0.25 0.00 -1.72 0.00 0.00 55.73 52.63 2jns s ARG 84 Cb 0.03 -4.33 0.47 0.00 -0.45 0.00 0.00 34.95 30.67 2jns s ARG 84 CO 0.77 -1.55 1.39 0.36 -0.68 0.00 0.00 175.30 175.59 2jns n LYS 85 N 6.19 0.01 -3.96 3.54 0.00 -1.26 -4.63 118.16 118.05 2jns n LYS 85 Ca -0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.04 2jns n LYS 85 Cb 0.43 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.92 2jns n LYS 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2jns s LYS 86 N -3.00 2.69 0.19 -1.58 0.00 -1.26 -5.15 119.74 111.62 2jns s LYS 86 Ca 0.11 -1.28 -0.21 0.00 0.00 0.00 0.00 55.97 54.58 2jns s LYS 86 Cb 0.17 -2.43 0.05 0.00 0.00 0.00 0.00 37.83 35.62 2jns s LYS 86 CO 0.71 0.19 0.59 1.03 0.00 0.00 0.00 175.35 177.87 2jns s ARG 87 N -3.91 1.39 -0.52 1.78 1.81 -1.26 -5.16 118.95 113.08 2jns s ARG 87 Ca 0.38 -0.67 0.07 0.00 -1.72 0.00 0.00 55.73 53.79 2jns s ARG 87 Cb -0.06 0.57 0.19 0.00 -0.45 0.00 0.00 34.95 35.20 2jns s ARG 87 CO 0.25 -0.61 0.73 -1.59 -0.68 0.00 0.00 175.30 173.40 2jns s LYS 88 N -3.81 1.08 -0.19 3.54 -2.85 -1.26 -5.12 119.74 111.13 2jns s LYS 88 Ca 0.05 -1.06 -0.29 0.00 -1.00 0.00 0.00 55.97 53.67 2jns s LYS 88 Cb -0.02 -0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 2jns s LYS 88 CO -0.07 -1.33 1.83 -1.25 0.10 0.00 0.00 175.35 174.63 2jns s PRO 89 N 0.88 3.66 0.00 1.78 0.04 -1.26 -5.38 135.00 134.72 2jns s PRO 89 Ca 0.30 1.88 0.30 0.00 0.04 0.00 0.00 61.00 63.51 2jns s PRO 89 Cb -0.00 -4.15 1.39 0.00 0.04 0.00 0.00 34.50 31.78 2jns s PRO 89 CO -0.05 -1.48 1.94 1.04 0.04 0.00 0.00 177.00 178.49