#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 1.78 0.16 1.61 1.04 -1.26 -5.08 113.70 111.96 2jns s SER 2 Ca 0.00 1.81 -0.15 0.00 0.48 0.00 0.00 55.95 58.08 2jns s SER 2 Cb 0.00 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.72 2jns s SER 2 CO 0.00 -3.75 0.43 -0.44 0.98 0.00 0.00 173.24 170.46 2jns s SER 3 N -2.58 -0.19 0.00 7.02 0.01 -1.26 -5.18 113.70 111.52 2jns s SER 3 Ca 0.68 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2jns s SER 3 Cb -0.24 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2jns s SER 3 CO 0.62 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2jns n GLY 4 N -0.27 3.39 1.94 3.44 0.00 -1.26 -5.19 105.19 107.23 2jns n GLY 4 Ca -0.12 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 2jns n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jns n SER 5 N 0.00 -0.63 -3.80 1.61 3.41 -1.26 -5.18 113.62 107.76 2jns n SER 5 Ca 0.00 -2.19 -0.09 0.00 -0.26 0.00 0.00 58.87 56.33 2jns n SER 5 Cb 0.00 1.27 -0.07 0.00 -0.26 0.00 0.00 64.21 65.16 2jns n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jns s SER 6 N -2.31 0.03 0.00 4.04 0.01 -1.26 -5.17 113.70 109.04 2jns s SER 6 Ca 0.20 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2jns s SER 6 Cb 0.00 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2jns s SER 6 CO 0.14 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2jns n GLY 7 N -0.11 -1.35 3.31 3.44 0.00 -1.26 -5.16 105.19 104.06 2jns n GLY 7 Ca -0.15 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 2jns n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jns s GLU 8 N -1.72 3.01 -0.08 1.61 2.02 -1.26 -4.92 118.70 117.37 2jns s GLU 8 Ca 0.00 -0.80 -0.32 0.00 0.02 0.00 0.00 54.97 53.87 2jns s GLU 8 Cb 0.00 -2.39 0.14 0.00 0.10 0.00 0.00 34.13 31.98 2jns s GLU 8 CO 0.00 0.27 1.39 -1.54 0.02 0.00 0.00 175.26 175.40 2jns s SER 9 N 0.14 -0.02 0.58 -0.19 1.04 -1.26 -5.01 113.70 108.97 2jns s SER 9 Ca -0.10 -0.05 0.34 0.00 0.48 0.00 0.00 55.95 56.62 2jns s SER 9 Cb -0.16 0.06 1.75 0.00 0.10 0.00 0.00 66.02 67.77 2jns s SER 9 CO 0.06 -0.11 2.16 -0.08 0.98 0.00 0.00 173.24 176.25 2jns h GLU 10 N 2.00 0.00 0.00 4.02 4.81 -1.98 -1.96 114.58 121.47 2jns h GLU 10 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2jns h GLU 10 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2jns h GLU 10 CO 0.29 0.05 0.00 0.93 -0.73 0.00 0.00 179.01 179.55 2jns h GLU 11 N 0.00 0.00 -0.02 1.92 5.08 -1.99 -2.32 114.58 117.25 2jns h GLU 11 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jns h GLU 11 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jns h GLU 11 CO 0.01 0.00 -0.45 0.39 -1.00 0.00 0.00 179.01 177.96 2jns n GLU 12 N -3.00 1.29 -3.08 2.33 -0.58 -0.74 -4.65 120.64 112.22 2jns n GLU 12 Ca -0.01 -1.05 -0.31 0.00 -0.42 0.00 0.00 57.16 55.37 2jns n GLU 12 Cb 0.18 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 2jns n GLU 12 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2jns n ASP 13 N 0.06 4.85 -4.31 1.62 2.03 -0.87 -5.02 116.55 114.90 2jns n ASP 13 Ca 0.09 -3.57 -0.16 0.00 0.52 0.00 0.00 54.79 51.67 2jns n ASP 13 Cb 0.47 -0.77 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 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 -3.15 1.38 0.26 -0.67 1.02 -1.26 -5.01 119.74 112.32 2jns s LYS 14 Ca 0.42 -1.74 0.04 0.00 0.02 0.00 0.00 55.97 54.71 2jns s LYS 14 Cb 0.19 -0.29 0.04 0.00 -0.52 0.00 0.00 37.83 37.25 2jns s LYS 14 CO -0.06 -0.27 0.30 0.00 -0.92 0.00 0.00 175.35 174.40 2jns s LYS 16 N -3.13 1.23 0.78 0.00 1.02 -1.26 -5.12 119.74 113.26 2jns s LYS 16 Ca 0.23 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.73 2jns s LYS 16 Cb -0.02 0.35 0.06 0.00 -0.52 0.00 0.00 37.83 37.70 2jns s LYS 16 CO 0.14 -0.44 1.09 -1.25 -0.92 0.00 0.00 175.35 173.97 2jns s PRO 17 N -4.05 2.21 -0.13 -1.68 0.04 -1.26 -4.56 135.00 125.58 2jns s PRO 17 Ca 0.26 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 2jns s PRO 17 Cb 0.04 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.69 2jns s PRO 17 CO 0.06 -1.54 -0.01 -1.64 0.04 0.00 0.00 177.00 173.91 2jns s MET 18 N -5.15 0.87 0.90 4.56 -1.94 -1.26 -5.06 119.30 112.22 2jns s MET 18 Ca 0.60 -0.19 -0.14 0.00 -1.71 0.00 0.00 55.69 54.26 2jns s MET 18 Cb -0.14 -1.54 0.14 0.00 2.01 0.00 0.00 34.83 35.31 2jns s MET 18 CO 0.54 -0.41 1.22 0.45 -0.01 0.00 0.00 175.02 176.81 2jns s SER 19 N 1.85 3.66 0.22 3.03 0.15 -1.26 -4.85 113.70 116.50 2jns s SER 19 Ca 0.03 0.61 -0.09 0.00 0.70 0.00 0.00 55.95 57.19 2jns s SER 19 Cb -0.14 -0.93 0.18 0.00 -1.71 0.00 0.00 66.02 63.42 2jns s SER 19 CO -0.07 -2.42 1.89 0.22 1.20 0.00 0.00 173.24 174.06 2jns h TYR 20 N -1.42 1.01 -0.49 3.44 3.20 -2.00 -1.66 116.97 119.05 2jns h TYR 20 Ca -0.46 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 2jns h TYR 20 Cb 1.29 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2jns h TYR 20 CO -0.36 0.64 0.24 0.93 -1.64 0.00 0.00 178.16 177.97 2jns h GLU 21 N 1.09 0.67 0.11 1.82 5.08 -1.98 0.67 114.58 122.05 2jns h GLU 21 Ca 0.30 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2jns h GLU 21 Cb -0.13 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 28.99 2jns h GLU 21 CO -0.06 0.51 -0.05 0.93 -1.00 0.00 0.00 179.01 179.34 2jns h GLU 22 N 0.68 -0.15 -0.48 2.33 4.39 -1.76 -0.34 114.58 119.25 2jns h GLU 22 Ca 0.17 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.96 2jns h GLU 22 Cb 0.05 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 2jns h GLU 22 CO -0.03 0.30 0.12 0.87 -1.16 0.00 0.00 179.01 179.11 2jns h LYS 23 N -0.66 0.26 0.58 2.33 1.57 -1.03 0.26 116.57 119.88 2jns h LYS 23 Ca -0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2jns h LYS 23 Cb 0.51 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2jns h LYS 23 CO 0.03 0.17 -0.28 0.00 -0.57 0.00 0.00 179.45 178.80 2jns h ARG 24 N 0.27 -0.75 -0.61 3.15 2.47 -0.90 -2.79 114.38 115.21 2jns h ARG 24 Ca 0.24 0.05 0.11 0.00 -1.26 0.00 0.00 59.98 59.12 2jns h ARG 24 Cb 0.30 0.17 -0.08 0.00 -1.65 0.00 0.00 29.97 28.71 2jns h ARG 24 CO -0.29 -0.44 0.18 0.37 0.56 0.00 0.00 179.97 180.35 2jns h GLN 25 N -1.04 0.33 -0.33 0.04 5.75 -0.86 0.67 115.11 119.67 2jns h GLN 25 Ca -0.08 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.47 2jns h GLN 25 Cb 0.66 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 2jns h GLN 25 CO 0.13 0.22 0.23 1.25 -2.65 0.00 0.00 178.83 178.01 2jns h LEU 26 N 0.33 0.10 -0.17 -2.39 5.85 -0.97 -0.54 115.31 117.53 2jns h LEU 26 Ca 0.32 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.96 2jns h LEU 26 Cb 0.44 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2jns h LEU 26 CO -0.36 0.07 -0.19 -1.28 -0.34 0.00 0.00 178.44 176.33 2jns h SER 27 N 0.12 0.47 -0.51 1.25 0.87 -0.59 -0.16 113.55 115.00 2jns h SER 27 Ca 0.15 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2jns h SER 27 Cb 0.45 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2jns h SER 27 CO -0.02 0.87 0.33 -0.07 -0.53 0.00 0.00 176.83 177.41 2jns h LEU 28 N 0.08 0.58 -0.72 2.23 -0.00 -0.84 -0.79 115.31 115.86 2jns h LEU 28 Ca 0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2jns h LEU 28 Cb 0.74 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.22 2jns h LEU 28 CO 0.05 0.43 0.43 0.44 -0.00 0.00 0.00 178.44 179.78 2jns h ASP 29 N 0.69 0.87 -0.79 -0.43 5.19 -1.12 -1.63 116.42 119.19 2jns h ASP 29 Ca 0.18 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2jns h ASP 29 Cb -0.07 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.18 2jns h ASP 29 CO -0.04 0.68 0.52 0.40 -3.12 0.00 0.00 179.24 177.68 2jns h ILE 30 N 0.98 1.16 0.00 0.35 2.04 -0.42 -1.17 117.51 120.45 2jns h ILE 30 Ca 0.26 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jns h ILE 30 Cb -0.02 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2jns h ILE 30 CO -0.05 0.19 0.00 0.78 0.00 0.00 0.00 178.15 179.07 2jns h ASN 31 N 1.03 0.00 0.79 1.72 2.35 -0.18 -2.07 115.58 119.21 2jns h ASN 31 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2jns h ASN 31 Cb -0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2jns h ASN 31 CO -0.09 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 175.98 2jns n LYS 32 N -2.45 0.10 -2.92 0.81 5.02 -0.44 -4.78 118.16 113.49 2jns n LYS 32 Ca 0.01 0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.97 2jns n LYS 32 Cb 0.19 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 2jns n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jns s LEU 33 N -2.89 4.50 0.67 -0.35 1.43 -0.78 -5.05 118.68 116.21 2jns s LEU 33 Ca 0.16 1.69 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 2jns s LEU 33 Cb 0.17 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2jns s LEU 33 CO 0.45 0.11 1.11 -2.16 0.23 0.00 0.00 176.35 176.09 2jns s PRO 34 N -1.50 2.77 0.31 1.29 0.04 -1.26 -4.70 135.00 131.94 2jns s PRO 34 Ca 0.41 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.85 2jns s PRO 34 Cb -0.21 -1.95 0.68 0.00 0.04 0.00 0.00 34.50 33.06 2jns s PRO 34 CO 0.26 -1.27 1.83 0.78 0.04 0.00 0.00 177.00 178.63 2jns h GLY 35 N -0.08 1.57 0.76 0.56 0.00 -1.96 0.15 103.07 104.06 2jns h GLY 35 Ca -0.46 -0.37 0.11 0.00 0.00 0.00 0.00 47.33 46.60 2jns h GLY 35 CO 0.54 0.08 0.53 -2.09 0.00 0.00 0.00 176.54 175.60 2jns h GLU 36 N 0.85 0.70 0.00 4.80 4.81 -2.04 -2.48 114.58 121.21 2jns h GLU 36 Ca 0.51 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.66 2jns h GLU 36 Cb 0.68 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2jns h GLU 36 CO -0.28 0.46 -1.83 1.63 -0.73 0.00 0.00 179.01 178.26 2jns n LYS 37 N -4.52 0.65 -0.34 1.92 5.02 -0.18 -4.47 118.16 116.24 2jns n LYS 37 Ca 0.14 -0.11 0.05 0.00 -2.02 0.00 0.00 58.31 56.37 2jns n LYS 37 Cb 0.36 -1.59 0.20 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.86 -1.92 -0.35 5.85 -0.29 -1.87 115.31 117.58 2jns h LEU 38 Ca -0.05 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.84 2jns h LEU 38 Cb 1.12 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2jns h LEU 38 CO 0.00 0.49 0.36 1.23 -0.34 0.00 0.00 178.44 180.18 2jns h GLY 39 N 0.96 0.13 2.00 3.75 0.00 -1.78 0.80 103.07 108.93 2jns h GLY 39 Ca 0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.70 2jns h GLY 39 CO -0.24 0.02 -0.19 -0.09 0.00 0.00 0.00 176.54 176.04 2jns h ARG 40 N 0.09 0.00 0.27 4.80 9.65 -1.63 -3.12 114.38 124.43 2jns h ARG 40 Ca 0.24 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.11 2jns h ARG 40 Cb 0.84 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2jns h ARG 40 CO -0.02 0.19 -0.13 0.28 2.80 0.00 0.00 179.97 183.09 2jns h VAL 41 N 0.00 0.75 -0.93 0.20 2.07 -0.93 -2.82 116.25 114.59 2jns h VAL 41 Ca -0.00 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2jns h VAL 41 Cb 0.57 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2jns h VAL 41 CO 0.02 0.01 0.60 0.58 0.02 0.00 0.00 177.57 178.80 2jns h VAL 42 N -0.38 0.98 0.00 2.57 2.07 -1.65 -0.45 116.25 119.39 2jns h VAL 42 Ca -0.04 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2jns h VAL 42 Cb 0.29 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2jns h VAL 42 CO 0.06 0.17 -0.04 0.45 0.02 0.00 0.00 177.57 178.23 2jns h HIS 43 N 0.95 0.00 -0.11 1.57 -0.00 -1.55 -2.08 115.15 113.92 2jns h HIS 43 Ca 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.79 2jns h HIS 43 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.79 2jns h HIS 43 CO -0.00 0.04 0.01 0.82 -0.00 0.00 0.00 177.93 178.80 2jns h ILE 44 N 0.00 1.23 -0.78 2.45 2.04 -0.99 -3.09 117.51 118.37 2jns h ILE 44 Ca -0.00 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 2jns h ILE 44 Cb 0.15 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2jns h ILE 44 CO 0.01 0.21 0.34 0.40 0.00 0.00 0.00 178.15 179.11 2jns h ILE 45 N -0.06 1.25 -0.18 -0.67 5.03 -1.47 -2.44 117.51 118.97 2jns h ILE 45 Ca 0.03 -0.75 0.05 0.00 -0.12 0.00 0.00 64.86 64.08 2jns h ILE 45 Cb 0.31 0.28 -0.01 0.00 -3.03 0.00 0.00 36.82 34.38 2jns h ILE 45 CO 0.00 0.31 0.21 1.56 -0.68 0.00 0.00 178.15 179.56 2jns h GLN 46 N 1.12 0.00 0.00 2.37 4.20 -1.40 0.29 115.11 121.69 2jns h GLN 46 Ca 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2jns h GLN 46 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 2jns h GLN 46 CO -0.03 0.00 -0.12 1.03 -0.67 0.00 0.00 178.83 179.04 2jns h SER 47 N 0.00 0.00 0.00 1.46 0.87 -1.44 -3.23 113.55 111.21 2jns h SER 47 Ca 0.09 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.32 2jns h SER 47 Cb 0.52 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.41 2jns h SER 47 CO -0.00 0.12 -2.24 0.54 -0.53 0.00 0.00 176.83 174.72 2jns n ARG 48 N -3.23 1.04 -3.78 2.24 5.12 0.75 -4.78 116.66 114.02 2jns n ARG 48 Ca 0.01 -0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 2jns n ARG 48 Cb 0.41 -1.46 -0.10 0.00 -1.16 0.00 0.00 32.46 30.15 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 -2.44 2.80 0.53 5.56 0.41 0.34 -4.94 118.70 120.98 2jns s GLU 49 Ca -0.10 -3.22 0.19 0.00 -0.41 0.00 0.00 54.97 51.42 2jns s GLU 49 Cb 0.05 -3.67 1.37 0.00 -1.78 0.00 0.00 34.13 30.10 2jns s GLU 49 CO 0.73 -1.26 2.16 -1.00 -0.49 0.00 0.00 175.26 175.40 2jns h PRO 50 N 5.84 0.00 0.00 0.39 0.13 -1.85 -0.83 132.00 135.68 2jns h PRO 50 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2jns h PRO 50 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2jns h PRO 50 CO 0.78 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.21 2jns h SER 51 N 0.00 0.00 -0.01 1.44 4.64 -1.92 -1.77 113.55 115.93 2jns h SER 51 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jns h SER 51 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2jns h SER 51 CO -0.00 0.00 -0.34 0.18 -0.87 0.00 0.00 176.83 175.80 2jns n LEU 52 N -2.35 1.34 0.22 5.97 7.99 -0.35 -4.58 117.00 125.25 2jns n LEU 52 Ca 0.01 -0.72 0.09 0.00 -0.01 0.00 0.00 56.01 55.37 2jns n LEU 52 Cb 0.18 0.00 0.52 0.00 -0.11 0.00 0.00 43.42 44.01 2jns n LEU 52 CO 0.18 0.27 0.83 0.50 -1.51 0.00 0.00 177.39 177.66 2jns h LYS 53 N 1.30 0.00 0.00 3.23 3.64 -1.00 -2.96 116.57 120.79 2jns h LYS 53 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jns h LYS 53 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2jns h LYS 53 CO 0.00 0.24 -0.39 0.09 -2.27 0.00 0.00 179.45 177.12 2jns n ASN 54 N -3.66 0.42 -4.84 4.20 5.03 -1.26 -4.87 115.26 110.28 2jns n ASN 54 Ca -0.01 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.12 2jns n ASN 54 Cb 0.36 0.03 -0.06 0.00 -1.02 0.00 0.00 39.78 39.10 2jns n ASN 54 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2jns s SER 55 N -3.23 6.76 0.59 6.41 0.01 -1.12 -5.06 113.70 118.07 2jns s SER 55 Ca 0.11 1.39 -0.18 0.00 1.31 0.00 0.00 55.95 58.58 2jns s SER 55 Cb 0.17 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2jns s SER 55 CO 0.66 -0.31 1.13 0.21 0.41 0.00 0.00 173.24 175.35 2jns s ASN 56 N -2.45 5.43 0.37 2.44 2.47 -1.26 -4.91 114.94 117.02 2jns s ASN 56 Ca 0.56 2.15 0.07 0.00 0.42 0.00 0.00 52.86 56.06 2jns s ASN 56 Cb -0.10 -2.57 0.72 0.00 -1.45 0.00 0.00 41.25 37.85 2jns s ASN 56 CO 0.20 -1.42 1.92 1.55 -3.72 0.00 0.00 177.10 175.63 2jns h PRO 57 N 0.75 0.41 0.00 0.43 0.13 -1.94 -0.80 132.00 130.99 2jns h PRO 57 Ca -0.49 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2jns h PRO 57 Cb 1.26 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jns h PRO 57 CO 0.56 0.45 0.00 -0.25 -0.23 0.00 0.00 178.00 178.52 2jns n ASP 58 N -4.32 0.00 -0.12 1.44 8.00 -1.26 -2.82 116.55 117.48 2jns n ASP 58 Ca 0.01 -0.70 0.04 0.00 0.71 0.00 0.00 54.79 54.85 2jns n ASP 58 Cb 0.22 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 2jns n ASP 58 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jns n GLU 59 N -1.06 3.00 -3.03 -1.24 -0.58 -0.33 -5.01 120.64 112.39 2jns n GLU 59 Ca 0.19 -0.32 -0.31 0.00 -0.42 0.00 0.00 57.16 56.30 2jns n GLU 59 Cb 0.12 -1.00 -0.04 0.00 -0.57 0.00 0.00 31.44 29.95 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 -1.54 4.79 -0.23 -3.67 1.01 -1.06 -4.89 121.20 115.61 2jns s ILE 60 Ca 0.06 0.65 -0.02 0.00 0.00 0.00 0.00 60.65 61.34 2jns s ILE 60 Cb 0.07 -3.69 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2jns s ILE 60 CO 0.29 -0.37 -0.07 -1.61 0.00 0.00 0.00 174.94 173.19 2jns s GLU 61 N -3.48 3.03 -0.63 2.79 2.02 -1.26 -5.04 118.70 116.13 2jns s GLU 61 Ca 0.51 -0.84 -0.26 0.00 0.02 0.00 0.00 54.97 54.39 2jns s GLU 61 Cb -0.10 -2.95 0.04 0.00 0.10 0.00 0.00 34.13 31.21 2jns s GLU 61 CO 0.26 -0.31 1.14 0.42 0.02 0.00 0.00 175.26 176.79 2jns s ILE 62 N 1.38 4.03 -0.29 -1.63 1.01 -1.26 -4.99 121.20 119.45 2jns s ILE 62 Ca 0.03 0.48 0.01 0.00 0.00 0.00 0.00 60.65 61.17 2jns s ILE 62 Cb -0.15 -4.75 0.06 0.00 0.01 0.00 0.00 42.46 37.63 2jns s ILE 62 CO -0.05 -1.47 -0.04 -1.81 0.00 0.00 0.00 174.94 171.57 2jns s ASP 63 N 3.26 4.68 0.00 3.58 1.11 -1.26 -4.97 116.67 123.08 2jns s ASP 63 Ca 0.36 -1.45 0.21 0.00 0.18 0.00 0.00 52.55 51.84 2jns s ASP 63 Cb -0.10 -1.63 1.02 0.00 1.07 0.00 0.00 42.92 43.28 2jns s ASP 63 CO 0.19 -0.25 1.65 0.49 1.18 0.00 0.00 175.17 178.44 2jns n PHE 64 N 4.49 0.00 0.13 4.23 3.72 -1.26 -2.47 117.46 126.30 2jns n PHE 64 Ca -0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.07 2jns n PHE 64 Cb 0.42 -0.31 -0.15 0.00 -0.94 0.00 0.00 39.48 38.50 2jns n PHE 64 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2jns h GLU 65 N 0.00 0.45 0.00 -1.08 4.39 -2.01 -3.35 114.58 112.98 2jns h GLU 65 Ca 0.00 -0.75 -0.23 0.00 0.34 0.00 0.00 59.36 58.72 2jns h GLU 65 Cb 0.21 0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2jns h GLU 65 CO 0.00 1.36 -1.94 -2.37 -1.16 0.00 0.00 179.01 174.89 2jns n THR 66 N -3.66 1.08 -2.40 1.13 5.66 -1.10 -4.95 114.28 110.05 2jns n THR 66 Ca -0.14 -0.73 -0.39 0.00 -3.05 0.00 0.00 64.05 59.75 2jns n THR 66 Cb 1.07 -0.52 -0.03 0.00 -1.55 0.00 0.00 70.33 69.30 2jns n THR 66 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2jns s LEU 67 N -5.45 4.32 0.63 1.09 1.43 -1.03 -5.02 118.68 114.64 2jns s LEU 67 Ca -0.07 2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 2jns s LEU 67 Cb 0.09 -3.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 2jns s LEU 67 CO 0.84 -0.45 1.05 -0.54 0.23 0.00 0.00 176.35 177.48 2jns s LYS 68 N -2.02 3.20 0.60 1.70 3.01 -1.26 -4.93 119.74 120.03 2jns s LYS 68 Ca 0.52 1.09 0.34 0.00 -1.01 0.00 0.00 55.97 56.91 2jns s LYS 68 Cb -0.30 -2.02 1.91 0.00 -1.01 0.00 0.00 37.83 36.41 2jns s LYS 68 CO 0.38 -0.89 2.25 -1.00 0.51 0.00 0.00 175.35 176.59 2jns h PRO 69 N 0.01 0.00 -0.05 -1.68 0.13 -1.93 -1.60 132.00 126.87 2jns h PRO 69 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 2jns h PRO 69 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jns h PRO 69 CO 0.57 0.02 -0.88 0.66 -0.23 0.00 0.00 178.00 178.15 2jns h SER 70 N 0.00 0.68 -0.39 1.44 4.64 -1.92 -3.03 113.55 114.97 2jns h SER 70 Ca -0.00 -0.50 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 2jns h SER 70 Cb 0.08 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2jns h SER 70 CO 0.00 1.29 0.06 0.74 -0.87 0.00 0.00 176.83 178.05 2jns h THR 71 N 0.34 1.22 -0.09 2.95 2.02 -1.66 -2.33 112.91 115.35 2jns h THR 71 Ca -0.07 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.13 2jns h THR 71 Cb 1.50 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2jns h THR 71 CO 0.16 0.31 -0.50 -0.07 0.37 0.00 0.00 175.52 175.78 2jns h LEU 72 N 0.69 0.27 -0.99 2.58 3.38 -1.56 -3.03 115.31 116.66 2jns h LEU 72 Ca 0.15 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2jns h LEU 72 Cb 0.34 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2jns h LEU 72 CO 0.01 0.73 0.65 -0.09 0.09 0.00 0.00 178.44 179.83 2jns h ARG 73 N 0.20 1.26 -0.41 1.13 9.65 -1.29 -0.07 114.38 124.84 2jns h ARG 73 Ca 0.01 -0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 2jns h ARG 73 Cb 0.96 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 2jns h ARG 73 CO 0.08 0.83 -0.05 0.93 2.80 0.00 0.00 179.97 184.56 2jns h GLU 74 N 1.30 0.70 -0.11 0.20 3.07 -1.44 -1.37 114.58 116.92 2jns h GLU 74 Ca 0.38 -0.19 -0.10 0.00 -0.50 0.00 0.00 59.36 58.95 2jns h GLU 74 Cb -0.07 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 2jns h GLU 74 CO -0.10 0.75 -0.31 -0.07 -1.40 0.00 0.00 179.01 177.87 2jns h LEU 75 N 0.65 0.46 -0.25 1.33 3.38 -1.36 -2.79 115.31 116.72 2jns h LEU 75 Ca 0.12 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.54 2jns h LEU 75 Cb 0.48 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2jns h LEU 75 CO 0.02 0.98 -0.01 -0.08 0.09 0.00 0.00 178.44 179.44 2jns h GLU 76 N -0.04 0.06 -0.91 1.13 4.57 -0.83 -0.22 114.58 118.35 2jns h GLU 76 Ca -0.01 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.24 2jns h GLU 76 Cb 0.93 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.44 2jns h GLU 76 CO 0.07 0.04 0.56 -0.09 -1.18 0.00 0.00 179.01 178.41 2jns h ARG 77 N 0.06 0.97 0.50 1.92 2.43 -1.29 -0.63 114.38 118.33 2jns h ARG 77 Ca 0.12 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2jns h ARG 77 Cb 0.15 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2jns h ARG 77 CO -0.21 0.64 -0.24 -0.92 -1.51 0.00 0.00 179.97 177.74 2jns h TYR 78 N 1.00 -0.62 -0.39 2.20 3.20 -1.01 -2.09 116.97 119.25 2jns h TYR 78 Ca 0.41 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.31 2jns h TYR 78 Cb 0.24 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2jns h TYR 78 CO -0.03 -0.30 0.15 -0.39 -1.64 0.00 0.00 178.16 175.96 2jns h VAL 79 N -0.94 0.90 0.00 1.81 -1.51 -0.79 -0.85 116.25 114.87 2jns h VAL 79 Ca -0.07 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 2jns h VAL 79 Cb 0.60 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2jns h VAL 79 CO 0.11 0.06 -0.04 0.74 -1.23 0.00 0.00 177.57 177.21 2jns h THR 80 N 0.31 0.53 0.00 7.19 2.02 -1.18 0.16 112.91 121.95 2jns h THR 80 Ca 0.18 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2jns h THR 80 Cb 0.14 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2jns h THR 80 CO -0.17 0.04 -0.35 0.28 0.37 0.00 0.00 175.52 175.69 2jns h SER 81 N 0.00 0.00 0.00 4.18 0.02 -0.44 0.15 113.55 117.46 2jns h SER 81 Ca -0.00 -0.06 -0.31 0.00 -0.84 0.00 0.00 61.79 60.58 2jns h SER 81 Cb 0.11 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 2jns h SER 81 CO 0.01 0.03 -1.69 0.00 -1.14 0.00 0.00 176.83 174.04 2jns h LEU 83 N -1.00 -0.16 0.00 0.00 3.38 -0.93 -3.38 115.31 113.21 2jns h LEU 83 Ca -0.46 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.11 2jns h LEU 83 Cb 1.39 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 2jns h LEU 83 CO -0.28 0.38 -1.31 -0.09 0.09 0.00 0.00 178.44 177.23 2jns h ARG 84 N -1.01 0.00 -6.14 1.13 2.43 -1.60 -3.49 114.38 105.69 2jns h ARG 84 Ca -0.02 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.71 2jns h ARG 84 Cb 0.32 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2jns h ARG 84 CO 0.03 0.62 -0.76 1.63 -1.51 0.00 0.00 179.97 179.99 2jns n LYS 85 N -3.14 -6.00 0.05 0.20 5.02 0.48 -4.74 118.16 110.05 2jns n LYS 85 Ca -0.08 0.66 0.20 0.00 -2.02 0.00 0.00 58.31 57.07 2jns n LYS 85 Cb 0.95 -5.54 0.73 0.00 -0.02 0.00 0.00 35.03 31.15 2jns n LYS 85 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jns h LYS 86 N -2.18 0.00 -0.93 1.97 3.64 -1.81 -0.33 116.57 116.93 2jns h LYS 86 Ca -0.58 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 58.98 2jns h LYS 86 Cb 1.37 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.11 2jns h LYS 86 CO 0.62 0.00 0.60 0.07 -2.27 0.00 0.00 179.45 178.47 2jns h ARG 87 N 0.00 0.57 -0.97 1.90 0.11 -1.88 -3.35 114.38 110.76 2jns h ARG 87 Ca 0.22 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 60.21 2jns h ARG 87 Cb 0.97 -0.13 -0.19 0.00 1.11 0.00 0.00 29.97 31.74 2jns h ARG 87 CO -0.00 0.38 -0.44 0.21 0.10 0.00 0.00 179.97 180.22 2jns s LYS 88 N -5.61 0.80 0.98 0.08 2.20 -0.20 -5.17 119.74 112.80 2jns s LYS 88 Ca -0.09 -0.27 -0.16 0.00 -0.36 0.00 0.00 55.97 55.08 2jns s LYS 88 Cb 0.23 0.09 0.24 0.00 -1.51 0.00 0.00 37.83 36.89 2jns s LYS 88 CO 0.79 -1.16 0.87 -0.35 -0.36 0.00 0.00 175.35 175.15 2jns n PRO 89 N 4.35 -2.69 0.00 4.03 -0.04 -0.77 -4.85 135.00 135.04 2jns n PRO 89 Ca 0.11 -1.39 0.01 0.00 -0.04 0.00 0.00 63.50 62.19 2jns n PRO 89 Cb 0.57 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.74 2jns n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46