#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 -0.04 0.76 1.61 0.01 -1.26 -5.16 113.70 109.62 2jns s SER 2 Ca 0.00 0.03 -0.11 0.00 1.31 0.00 0.00 55.95 57.18 2jns s SER 2 Cb 0.00 0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.49 2jns s SER 2 CO 0.00 -0.16 1.08 -0.94 0.41 0.00 0.00 173.24 173.63 2jns s SER 3 N -0.50 4.70 0.00 2.44 1.04 -1.26 -4.86 113.70 115.26 2jns s SER 3 Ca -0.06 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2jns s SER 3 Cb -0.04 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2jns s SER 3 CO 0.00 -1.89 0.00 0.61 0.98 0.00 0.00 173.24 172.95 2jns n GLY 4 N -1.51 -1.42 3.77 7.32 0.00 -1.26 -5.13 105.19 106.96 2jns n GLY 4 Ca 0.08 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.00 2.72 0.00 1.61 0.15 -1.26 -5.06 113.70 107.86 2jns s SER 5 Ca 0.00 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2jns s SER 5 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2jns s SER 5 CO 0.00 -3.02 0.00 -0.24 1.20 0.00 0.00 173.24 171.18 2jns n SER 6 N -4.03 0.00 0.00 5.45 2.88 -1.26 -5.08 113.62 111.58 2jns n SER 6 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2jns n SER 6 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2jns n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jns n GLY 7 N 1.32 1.22 3.03 0.46 0.00 -1.26 -5.12 105.19 104.84 2jns n GLY 7 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jns n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jns s GLU 8 N -0.13 0.18 0.00 1.61 2.12 -1.26 -5.06 118.70 116.16 2jns s GLU 8 Ca 0.00 0.34 0.26 0.00 0.36 0.00 0.00 54.97 55.93 2jns s GLU 8 Cb 0.00 -0.00 0.80 0.00 0.26 0.00 0.00 34.13 35.18 2jns s GLU 8 CO 0.00 -0.08 1.60 -1.13 -0.54 0.00 0.00 175.26 175.11 2jns n SER 9 N 3.50 1.94 -0.18 -1.70 3.41 -1.26 -4.46 113.62 114.87 2jns n SER 9 Ca -0.18 -1.65 0.14 0.00 -0.26 0.00 0.00 58.87 56.91 2jns n SER 9 Cb 0.56 -0.01 0.47 0.00 -0.26 0.00 0.00 64.21 64.96 2jns n SER 9 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jns h GLU 10 N 2.98 0.48 -0.02 4.33 5.08 -1.99 -0.26 114.58 125.18 2jns h GLU 10 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jns h GLU 10 Cb 0.64 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2jns h GLU 10 CO 0.00 0.32 -0.13 0.39 -1.00 0.00 0.00 179.01 178.59 2jns n GLU 11 N -4.49 1.65 -0.06 2.33 -0.58 -1.26 -3.78 120.64 114.44 2jns n GLU 11 Ca 0.14 -1.18 -0.03 0.00 -0.42 0.00 0.00 57.16 55.67 2jns n GLU 11 Cb 0.48 -1.48 -0.16 0.00 -0.57 0.00 0.00 31.44 29.71 2jns n GLU 11 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2jns n GLU 12 N 0.36 0.67 0.00 3.49 -0.58 -0.18 -4.45 120.64 119.95 2jns n GLU 12 Ca 0.15 -0.04 0.10 0.00 -0.42 0.00 0.00 57.16 56.95 2jns n GLU 12 Cb 0.45 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 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 -2.62 2.01 -5.00 1.62 2.03 -0.77 -4.97 116.55 108.86 2jns n ASP 13 Ca -0.22 -1.51 -0.22 0.00 0.52 0.00 0.00 54.79 53.37 2jns n ASP 13 Cb 0.95 0.43 0.04 0.00 -0.72 0.00 0.00 41.12 41.83 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 -2.27 2.26 0.23 -0.67 -0.14 -1.25 -5.12 119.74 112.79 2jns s LYS 14 Ca 0.18 -1.78 0.01 0.00 -1.36 0.00 0.00 55.97 53.01 2jns s LYS 14 Cb 0.17 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 2jns s LYS 14 CO 0.50 -0.82 0.15 0.00 -0.76 0.00 0.00 175.35 174.42 2jns s LYS 16 N -4.02 2.75 -0.11 0.00 3.01 -1.26 -5.03 119.74 115.07 2jns s LYS 16 Ca 0.39 -1.04 -0.30 0.00 -1.01 0.00 0.00 55.97 54.01 2jns s LYS 16 Cb 0.06 -2.51 -0.03 0.00 -1.01 0.00 0.00 37.83 34.35 2jns s LYS 16 CO 0.15 0.43 1.31 -1.25 0.51 0.00 0.00 175.35 176.50 2jns s PRO 17 N -3.42 4.26 -0.16 -1.68 0.04 -1.26 -4.69 135.00 128.08 2jns s PRO 17 Ca 0.31 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 2jns s PRO 17 Cb -0.09 -3.73 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 2jns s PRO 17 CO 0.23 -0.66 1.07 -1.64 0.04 0.00 0.00 177.00 176.04 2jns s MET 18 N 3.19 4.33 0.88 4.56 -1.94 -1.26 -5.06 119.30 123.99 2jns s MET 18 Ca 0.58 1.43 -0.13 0.00 -1.71 0.00 0.00 55.69 55.87 2jns s MET 18 Cb -0.24 -3.61 0.12 0.00 2.01 0.00 0.00 34.83 33.11 2jns s MET 18 CO 0.19 -0.51 1.17 -1.12 -0.01 0.00 0.00 175.02 174.74 2jns s SER 19 N 1.27 3.83 0.28 3.03 0.01 -1.26 -4.83 113.70 116.03 2jns s SER 19 Ca 0.48 0.84 -0.03 0.00 1.31 0.00 0.00 55.95 58.54 2jns s SER 19 Cb -0.18 -1.33 0.38 0.00 0.21 0.00 0.00 66.02 65.10 2jns s SER 19 CO 0.13 -2.34 1.95 0.22 0.41 0.00 0.00 173.24 173.61 2jns h TYR 20 N -1.35 1.11 0.00 2.43 5.03 -1.99 -1.10 116.97 121.10 2jns h TYR 20 Ca -0.48 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 60.77 2jns h TYR 20 Cb 1.32 -0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 2jns h TYR 20 CO 0.15 0.71 -0.39 0.93 -1.32 0.00 0.00 178.16 178.24 2jns h GLU 21 N 1.18 0.00 -0.02 1.82 5.08 -1.99 -0.49 114.58 120.17 2jns h GLU 21 Ca 0.32 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2jns h GLU 21 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2jns h GLU 21 CO -0.07 0.39 -0.11 0.93 -1.00 0.00 0.00 179.01 179.16 2jns h GLU 22 N 0.00 0.11 -0.30 2.33 5.08 -1.73 -1.87 114.58 118.20 2jns h GLU 22 Ca -0.00 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2jns h GLU 22 Cb 0.73 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2jns h GLU 22 CO 0.05 0.75 0.00 0.87 -1.00 0.00 0.00 179.01 179.68 2jns h LYS 23 N -0.50 0.09 -0.34 2.33 1.57 -0.98 -2.15 116.57 116.59 2jns h LYS 23 Ca -0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2jns h LYS 23 Cb 0.77 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2jns h LYS 23 CO 0.02 0.06 0.10 0.00 -0.57 0.00 0.00 179.45 179.06 2jns h ARG 24 N 0.09 0.53 -0.81 3.15 3.08 -1.15 -3.00 114.38 116.26 2jns h ARG 24 Ca 0.15 -0.11 0.13 0.00 0.07 0.00 0.00 59.98 60.21 2jns h ARG 24 Cb 0.20 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.08 2jns h ARG 24 CO -0.25 0.56 0.42 0.37 -1.07 0.00 0.00 179.97 180.00 2jns h GLN 25 N 0.39 0.61 -0.90 0.04 5.75 -0.94 -0.82 115.11 119.26 2jns h GLN 25 Ca 0.11 -0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.71 2jns h GLN 25 Cb 0.25 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 28.59 2jns h GLN 25 CO -0.00 0.41 0.58 1.25 -2.65 0.00 0.00 178.83 178.41 2jns h LEU 26 N 0.63 0.68 -0.38 -2.39 7.12 -1.25 -0.90 115.31 118.82 2jns h LEU 26 Ca 0.43 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 58.44 2jns h LEU 26 Cb 0.55 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 2jns h LEU 26 CO -0.33 0.35 0.10 -1.28 -0.13 0.00 0.00 178.44 177.14 2jns h SER 27 N 0.72 0.58 -0.80 1.25 0.87 -1.18 0.38 113.55 115.36 2jns h SER 27 Ca 0.45 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.83 2jns h SER 27 Cb 0.69 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.44 2jns h SER 27 CO -0.21 0.65 0.49 -0.07 -0.53 0.00 0.00 176.83 177.17 2jns h LEU 28 N 0.47 0.78 -0.29 2.23 -0.00 -1.11 -0.21 115.31 117.18 2jns h LEU 28 Ca 0.12 0.01 -0.20 0.00 -0.00 0.00 0.00 57.88 57.81 2jns h LEU 28 Cb 0.30 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2jns h LEU 28 CO 0.00 0.51 -0.73 0.44 -0.00 0.00 0.00 178.44 178.67 2jns h ASP 29 N 0.92 0.74 -0.51 -0.43 3.32 -1.24 -2.96 116.42 116.25 2jns h ASP 29 Ca 0.34 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2jns h ASP 29 Cb 0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2jns h ASP 29 CO -0.15 1.24 0.29 0.40 -1.72 0.00 0.00 179.24 179.29 2jns h ILE 30 N 0.44 1.17 0.00 0.35 2.04 -0.36 -0.80 117.51 120.35 2jns h ILE 30 Ca -0.04 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2jns h ILE 30 Cb 1.33 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2jns h ILE 30 CO 0.14 0.19 0.00 0.78 0.00 0.00 0.00 178.15 179.26 2jns h ASN 31 N 0.75 0.00 0.67 1.72 2.35 -0.88 -2.29 115.58 117.90 2jns h ASN 31 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2jns h ASN 31 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2jns h ASN 31 CO -0.03 0.00 -0.23 0.29 -1.65 0.00 0.00 177.43 175.81 2jns n LYS 32 N -2.72 0.14 -2.91 0.81 4.76 -0.31 -4.86 118.16 113.07 2jns n LYS 32 Ca -0.00 -0.05 -0.38 0.00 -2.87 0.00 0.00 58.31 55.00 2jns n LYS 32 Cb 0.19 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 2jns n LYS 32 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jns s LEU 33 N -2.90 4.51 0.91 -0.35 1.43 -0.86 -5.06 118.68 116.36 2jns s LEU 33 Ca 0.16 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.85 2jns s LEU 33 Cb 0.19 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.99 2jns s LEU 33 CO 0.59 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 176.21 2jns s PRO 34 N -1.48 1.13 0.20 1.29 0.04 -1.26 -4.70 135.00 130.21 2jns s PRO 34 Ca 0.41 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 2jns s PRO 34 Cb -0.22 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.71 2jns s PRO 34 CO 0.26 -2.34 1.63 0.78 0.04 0.00 0.00 177.00 177.36 2jns h GLY 35 N -1.63 0.29 0.94 0.56 0.00 -1.98 -0.56 103.07 100.69 2jns h GLY 35 Ca -0.50 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.09 2jns h GLY 35 CO 0.53 -0.22 0.50 1.05 0.00 0.00 0.00 176.54 178.40 2jns h GLU 36 N -0.05 0.96 0.00 4.80 4.11 -2.04 -2.54 114.58 119.82 2jns h GLU 36 Ca 0.26 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2jns h GLU 36 Cb 0.46 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jns h GLU 36 CO -0.60 0.64 0.00 0.87 0.07 0.00 0.00 179.01 179.99 2jns h LYS 37 N 0.99 0.00 -0.38 1.06 1.57 -1.61 -3.28 116.57 114.92 2jns h LYS 37 Ca 0.30 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2jns h LYS 37 Cb -0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2jns h LYS 37 CO -0.09 0.00 -0.34 1.25 -0.57 0.00 0.00 179.45 179.70 2jns h LEU 38 N 0.00 0.93 -1.62 2.94 5.85 -0.70 -3.04 115.31 119.67 2jns h LEU 38 Ca 0.00 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.40 2jns h LEU 38 Cb 0.78 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2jns h LEU 38 CO 0.00 1.18 0.39 1.23 -0.34 0.00 0.00 178.44 180.90 2jns h GLY 39 N 0.85 0.59 2.00 3.75 0.00 -1.62 -0.04 103.07 108.61 2jns h GLY 39 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2jns h GLY 39 CO 0.09 0.12 -0.11 -0.09 0.00 0.00 0.00 176.54 176.55 2jns h ARG 40 N 0.44 0.00 -0.28 4.80 9.65 -1.72 -2.62 114.38 124.65 2jns h ARG 40 Ca 0.26 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2jns h ARG 40 Cb 0.46 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2jns h ARG 40 CO -0.07 0.11 0.17 0.28 2.80 0.00 0.00 179.97 183.25 2jns h VAL 41 N 0.00 1.10 -0.90 0.20 2.07 -1.09 -2.84 116.25 114.80 2jns h VAL 41 Ca -0.00 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.35 2jns h VAL 41 Cb 0.25 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 2jns h VAL 41 CO 0.01 0.10 0.58 0.58 0.02 0.00 0.00 177.57 178.87 2jns h VAL 42 N 0.36 1.06 0.00 2.57 2.07 -1.57 -1.17 116.25 119.57 2jns h VAL 42 Ca 0.10 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2jns h VAL 42 Cb 0.01 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2jns h VAL 42 CO -0.02 0.18 -0.01 0.45 0.02 0.00 0.00 177.57 178.20 2jns h HIS 43 N 1.01 0.00 -0.23 1.57 -0.00 -1.55 -1.77 115.15 114.18 2jns h HIS 43 Ca 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.65 2jns h HIS 43 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2jns h HIS 43 CO -0.00 0.01 -0.26 0.82 -0.00 0.00 0.00 177.93 178.50 2jns h ILE 44 N 0.00 1.32 -0.49 2.45 2.04 -1.24 -3.10 117.51 118.49 2jns h ILE 44 Ca -0.00 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 2jns h ILE 44 Cb 0.08 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2jns h ILE 44 CO 0.00 0.45 0.00 0.40 0.00 0.00 0.00 178.15 179.00 2jns h ILE 45 N 0.28 1.24 -0.20 -0.67 5.03 -1.42 -2.58 117.51 119.19 2jns h ILE 45 Ca 0.03 -1.00 0.06 0.00 -0.12 0.00 0.00 64.86 63.83 2jns h ILE 45 Cb 0.82 0.87 -0.01 0.00 -3.03 0.00 0.00 36.82 35.47 2jns h ILE 45 CO 0.06 0.36 0.19 1.56 -0.68 0.00 0.00 178.15 179.64 2jns h GLN 46 N 0.75 0.00 0.00 2.37 4.20 -1.43 0.23 115.11 121.23 2jns h GLN 46 Ca 0.15 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2jns h GLN 46 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2jns h GLN 46 CO 0.02 0.00 -0.28 1.03 -0.67 0.00 0.00 178.83 178.93 2jns h SER 47 N 0.00 0.00 0.05 1.46 0.87 -1.45 -3.18 113.55 111.31 2jns h SER 47 Ca 0.10 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.33 2jns h SER 47 Cb 0.48 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2jns h SER 47 CO -0.00 0.28 -2.28 0.54 -0.53 0.00 0.00 176.83 174.83 2jns n ARG 48 N -3.97 0.68 -3.63 2.24 5.12 0.61 -4.80 116.66 112.91 2jns n ARG 48 Ca -0.02 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.51 2jns n ARG 48 Cb 0.35 -1.55 -0.08 0.00 -1.16 0.00 0.00 32.46 30.02 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 -2.60 2.73 0.47 5.56 0.41 -0.05 -4.94 118.70 120.29 2jns s GLU 49 Ca -0.09 -2.40 0.21 0.00 -0.41 0.00 0.00 54.97 52.27 2jns s GLU 49 Cb 0.07 -3.88 1.17 0.00 -1.78 0.00 0.00 34.13 29.71 2jns s GLU 49 CO 0.84 -1.19 2.00 -1.00 -0.49 0.00 0.00 175.26 175.41 2jns h PRO 50 N 7.37 0.00 0.00 0.39 0.13 -1.87 -1.52 132.00 136.50 2jns h PRO 50 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2jns h PRO 50 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2jns h PRO 50 CO 0.74 0.18 0.00 0.45 -0.23 0.00 0.00 178.00 179.14 2jns n SER 51 N -3.94 0.60 -0.34 1.44 2.88 -1.26 -2.83 113.62 110.17 2jns n SER 51 Ca -0.02 0.59 0.07 0.00 -1.33 0.00 0.00 58.87 58.18 2jns n SER 51 Cb 0.27 -0.74 0.01 0.00 -0.75 0.00 0.00 64.21 62.99 2jns n SER 51 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jns n LEU 52 N -2.11 1.56 0.28 2.46 7.99 -0.64 -4.58 117.00 121.96 2jns n LEU 52 Ca 0.04 -0.80 0.13 0.00 -0.01 0.00 0.00 56.01 55.38 2jns n LEU 52 Cb 0.32 0.00 0.81 0.00 -0.11 0.00 0.00 43.42 44.44 2jns n LEU 52 CO 0.25 0.30 1.04 0.50 -1.51 0.00 0.00 177.39 177.97 2jns h LYS 53 N 1.69 0.00 -0.52 3.23 1.63 -1.22 -2.57 116.57 118.82 2jns h LYS 53 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2jns h LYS 53 Cb 0.48 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2jns h LYS 53 CO 0.00 0.07 0.02 0.09 -3.45 0.00 0.00 179.45 176.17 2jns n ASN 54 N -3.77 5.28 -4.55 4.20 3.02 -1.26 -4.94 115.26 113.22 2jns n ASN 54 Ca -0.02 -2.98 -0.31 0.00 -0.03 0.00 0.00 54.58 51.23 2jns n ASN 54 Cb 0.16 -0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 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 -1.07 4.36 0.47 6.41 0.01 -0.97 -5.11 113.70 117.80 2jns s SER 55 Ca 0.52 -0.27 -0.24 0.00 1.31 0.00 0.00 55.95 57.28 2jns s SER 55 Cb 0.40 -0.91 -0.07 0.00 0.21 0.00 0.00 66.02 65.66 2jns s SER 55 CO 0.14 0.25 1.29 0.20 0.41 0.00 0.00 173.24 175.54 2jns s ASN 56 N -1.59 5.88 0.33 2.44 -0.87 -1.26 -4.91 114.94 114.96 2jns s ASN 56 Ca 0.17 2.62 0.01 0.00 -1.57 0.00 0.00 52.86 54.10 2jns s ASN 56 Cb -0.11 -2.63 0.57 0.00 -0.02 0.00 0.00 41.25 39.06 2jns s ASN 56 CO 0.08 -1.14 1.96 1.55 -2.57 0.00 0.00 177.10 176.98 2jns h PRO 57 N 2.06 0.84 0.00 -0.60 0.13 -1.95 -1.42 132.00 131.06 2jns h PRO 57 Ca -0.50 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2jns h PRO 57 Cb 1.27 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2jns h PRO 57 CO 0.60 0.61 0.00 -3.47 -0.23 0.00 0.00 178.00 175.51 2jns n ASP 58 N -4.39 0.00 0.00 1.44 2.03 -1.26 -2.82 116.55 111.55 2jns n ASP 58 Ca 0.06 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2jns n ASP 58 Cb 0.09 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 -1.12 3.00 -3.38 -0.67 1.02 -0.56 -5.04 120.64 113.90 2jns n GLU 59 Ca 0.09 -0.15 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 2jns n GLU 59 Cb 0.08 -0.58 -0.06 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.47 5.22 0.33 -3.67 1.01 -1.07 -4.95 121.20 117.60 2jns s ILE 60 Ca 0.00 0.81 -0.08 0.00 0.00 0.00 0.00 60.65 61.37 2jns s ILE 60 Cb 0.00 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 2jns s ILE 60 CO 0.00 0.33 0.65 -1.83 0.00 0.00 0.00 174.94 174.09 2jns s GLU 61 N 0.69 3.74 -0.31 2.79 -1.05 -1.26 -5.01 118.70 118.30 2jns s GLU 61 Ca 0.22 0.27 0.03 0.00 -0.15 0.00 0.00 54.97 55.34 2jns s GLU 61 Cb -0.14 -2.54 0.09 0.00 -0.44 0.00 0.00 34.13 31.10 2jns s GLU 61 CO 0.08 0.13 0.01 0.42 0.95 0.00 0.00 175.26 176.85 2jns s ILE 62 N -2.15 1.97 -0.41 1.83 1.01 -1.26 -5.06 121.20 117.13 2jns s ILE 62 Ca 0.48 -1.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.16 2jns s ILE 62 Cb -0.11 -2.35 0.10 0.00 0.01 0.00 0.00 42.46 40.12 2jns s ILE 62 CO 0.28 -0.43 0.21 1.51 0.00 0.00 0.00 174.94 176.52 2jns s ASP 63 N 1.10 5.33 0.15 3.58 -4.77 -1.26 -4.92 116.67 115.87 2jns s ASP 63 Ca 0.04 -1.89 0.15 0.00 -3.30 0.00 0.00 52.55 47.55 2jns s ASP 63 Cb -0.19 -1.86 0.70 0.00 -1.09 0.00 0.00 42.92 40.48 2jns s ASP 63 CO -0.09 -0.54 1.46 0.49 0.70 0.00 0.00 175.17 177.19 2jns n PHE 64 N 4.67 0.39 0.13 2.11 3.72 -1.26 -1.74 117.46 125.49 2jns n PHE 64 Ca -0.05 0.18 0.02 0.00 -0.05 0.00 0.00 57.45 57.55 2jns n PHE 64 Cb 0.42 -0.79 0.35 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.17 0.00 -1.08 5.08 -1.99 -3.26 114.58 113.50 2jns h GLU 65 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2jns h GLU 65 Cb 0.15 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jns h GLU 65 CO 0.00 0.42 -0.65 0.25 -1.00 0.00 0.00 179.01 178.03 2jns n THR 66 N -4.18 0.00 -2.16 1.13 -2.24 -0.71 -5.03 114.28 101.09 2jns n THR 66 Ca -0.01 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 2jns n THR 66 Cb 0.35 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 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 -2.68 4.29 0.59 3.22 1.43 -0.90 -4.98 118.68 119.65 2jns s LEU 67 Ca -0.00 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.49 2jns s LEU 67 Cb 0.02 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2jns s LEU 67 CO 0.11 -0.67 1.11 -0.54 0.23 0.00 0.00 176.35 176.59 2jns s LYS 68 N -2.07 3.15 0.50 1.70 3.01 -1.26 -4.93 119.74 119.84 2jns s LYS 68 Ca 0.54 1.45 0.17 0.00 -1.01 0.00 0.00 55.97 57.11 2jns s LYS 68 Cb -0.36 -1.99 1.23 0.00 -1.01 0.00 0.00 37.83 35.70 2jns s LYS 68 CO 0.47 -0.98 2.09 -1.00 0.51 0.00 0.00 175.35 176.44 2jns h PRO 69 N 0.63 0.09 -0.26 -1.68 0.13 -1.93 -1.50 132.00 127.48 2jns h PRO 69 Ca -0.48 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 2jns h PRO 69 Cb 1.25 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jns h PRO 69 CO 0.56 0.06 -0.41 0.77 -0.23 0.00 0.00 178.00 178.75 2jns h SER 70 N 0.10 0.68 -0.28 1.44 0.02 -1.92 -2.95 113.55 110.63 2jns h SER 70 Ca 0.09 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2jns h SER 70 Cb 0.24 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2jns h SER 70 CO -0.01 1.00 0.12 0.74 -1.14 0.00 0.00 176.83 177.55 2jns h THR 71 N 0.52 0.96 0.00 -2.27 2.02 -1.64 -2.16 112.91 110.34 2jns h THR 71 Ca 0.04 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2jns h THR 71 Cb 0.93 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2jns h THR 71 CO 0.08 0.05 -0.02 -0.07 0.37 0.00 0.00 175.52 175.93 2jns h LEU 72 N 0.26 0.00 -1.34 2.58 3.38 -1.43 -2.13 115.31 116.64 2jns h LEU 72 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2jns h LEU 72 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2jns h LEU 72 CO -0.10 0.02 0.09 -0.09 0.09 0.00 0.00 178.44 178.44 2jns h ARG 73 N 0.00 0.53 0.00 1.13 1.12 -1.22 -0.95 114.38 114.99 2jns h ARG 73 Ca -0.00 -0.09 -0.13 0.00 -1.11 0.00 0.00 59.98 58.66 2jns h ARG 73 Cb 0.04 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 2jns h ARG 73 CO 0.00 0.49 -0.61 0.93 -3.11 0.00 0.00 179.97 177.68 2jns h GLU 74 N 0.52 0.00 -0.17 0.20 4.39 -1.44 -2.25 114.58 115.84 2jns h GLU 74 Ca 0.12 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2jns h GLU 74 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jns h GLU 74 CO -0.00 0.61 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.35 2jns h LEU 75 N 0.00 0.32 0.02 1.33 3.38 -1.22 -2.30 115.31 116.84 2jns h LEU 75 Ca -0.01 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.63 2jns h LEU 75 Cb 1.26 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2jns h LEU 75 CO 0.08 0.60 -0.22 -0.08 0.09 0.00 0.00 178.44 178.92 2jns h GLU 76 N 0.03 -0.34 -0.66 1.13 4.57 -1.17 -2.01 114.58 116.13 2jns h GLU 76 Ca 0.04 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.36 2jns h GLU 76 Cb 0.46 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 29.04 2jns h GLU 76 CO 0.02 -0.23 0.22 0.00 -1.18 0.00 0.00 179.01 177.84 2jns h ARG 77 N -0.35 0.37 0.44 1.92 2.47 -1.37 0.90 114.38 118.75 2jns h ARG 77 Ca 0.05 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2jns h ARG 77 Cb 0.42 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2jns h ARG 77 CO -0.18 0.24 -0.21 -0.92 0.56 0.00 0.00 179.97 179.46 2jns h TYR 78 N 0.38 -0.55 0.06 3.04 3.20 -1.04 -2.11 116.97 119.95 2jns h TYR 78 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 2jns h TYR 78 Cb 0.49 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 2jns h TYR 78 CO -0.19 -0.28 -0.08 -0.39 -1.64 0.00 0.00 178.16 175.58 2jns h VAL 79 N -0.72 0.82 -0.83 1.81 -1.51 -0.89 -2.22 116.25 112.72 2jns h VAL 79 Ca -0.06 0.00 0.13 0.00 -1.23 0.00 0.00 66.70 65.54 2jns h VAL 79 Cb 0.52 0.82 -0.06 0.00 -2.13 0.00 0.00 31.29 30.44 2jns h VAL 79 CO 0.10 0.00 0.54 0.74 -1.23 0.00 0.00 177.57 177.72 2jns h THR 80 N -0.16 0.87 0.00 7.19 2.02 -0.87 0.19 112.91 122.14 2jns h THR 80 Ca 0.01 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2jns h THR 80 Cb 0.17 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 2jns h THR 80 CO -0.03 0.12 -0.29 -1.28 0.37 0.00 0.00 175.52 174.41 2jns h SER 81 N 0.66 0.00 0.68 4.18 0.87 -0.83 0.77 113.55 119.88 2jns h SER 81 Ca 0.40 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.95 2jns h SER 81 Cb 0.64 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2jns h SER 81 CO -0.17 0.29 -1.33 0.00 -0.53 0.00 0.00 176.83 175.10 2jns n LEU 83 N -2.56 0.00 -4.13 0.00 4.77 0.47 -4.89 117.00 110.65 2jns n LEU 83 Ca -0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 2jns n LEU 83 Cb 0.57 0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 2jns n LEU 83 CO 0.42 0.23 -0.44 -0.13 -1.33 0.00 0.00 177.39 176.14 2jns s ARG 84 N -2.95 2.55 -1.09 3.23 1.81 0.26 -5.04 118.95 117.72 2jns s ARG 84 Ca -0.08 -1.15 -0.26 0.00 -1.72 0.00 0.00 55.73 52.52 2jns s ARG 84 Cb 0.09 -2.91 -0.19 0.00 -0.45 0.00 0.00 34.95 31.49 2jns s ARG 84 CO 0.82 -0.48 2.04 1.63 -0.68 0.00 0.00 175.30 178.63 2jns n LYS 85 N 4.56 0.64 -3.72 3.54 5.02 -1.26 -4.63 118.16 122.31 2jns n LYS 85 Ca -0.16 -1.96 -0.30 0.00 -2.02 0.00 0.00 58.31 53.88 2jns n LYS 85 Cb 0.45 -3.82 -0.14 0.00 -0.02 0.00 0.00 35.03 31.49 2jns n LYS 85 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jns s LYS 86 N 7.74 0.85 0.72 1.97 2.20 -1.26 -5.12 119.74 126.83 2jns s LYS 86 Ca 0.76 -1.32 -0.14 0.00 -0.36 0.00 0.00 55.97 54.92 2jns s LYS 86 Cb -0.03 -2.06 0.03 0.00 -1.51 0.00 0.00 37.83 34.27 2jns s LYS 86 CO 0.17 -1.04 1.13 -0.98 -0.36 0.00 0.00 175.35 174.28 2jns s ARG 87 N 1.29 2.38 0.90 4.03 1.70 -1.26 -5.01 118.95 122.98 2jns s ARG 87 Ca 0.12 1.46 -0.11 0.00 -0.47 0.00 0.00 55.73 56.73 2jns s ARG 87 Cb -0.19 -1.89 0.13 0.00 -0.57 0.00 0.00 34.95 32.43 2jns s ARG 87 CO -0.18 -1.59 1.10 0.15 -1.08 0.00 0.00 175.30 173.70 2jns s LYS 88 N -4.24 1.20 0.23 3.89 3.01 -1.26 -4.95 119.74 117.61 2jns s LYS 88 Ca 0.68 1.16 -0.30 0.00 -1.01 0.00 0.00 55.97 56.50 2jns s LYS 88 Cb -0.22 -1.78 -0.09 0.00 -1.01 0.00 0.00 37.83 34.73 2jns s LYS 88 CO 0.46 -2.38 1.36 -1.25 0.51 0.00 0.00 175.35 174.05 2jns s PRO 89 N -4.78 4.34 0.00 -1.68 0.04 -1.26 -5.33 135.00 126.34 2jns s PRO 89 Ca 0.64 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.85 2jns s PRO 89 Cb -0.20 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2jns s PRO 89 CO 0.58 -0.31 0.03 1.04 0.04 0.00 0.00 177.00 178.38