#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn n PRO 2 N 0.00 -0.48 -1.35 1.61 -0.04 -1.26 -4.94 135.00 128.53 1jkn n PRO 2 Ca 0.00 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1jkn n PRO 2 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1jkn n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jkn n LEU 3 N 0.00 -0.96 -3.52 1.53 7.99 -1.26 -4.76 117.00 116.01 1jkn n LEU 3 Ca 0.00 2.24 -0.27 0.00 -0.01 0.00 0.00 56.01 57.97 1jkn n LEU 3 Cb 0.00 -3.02 -0.09 0.00 -0.11 0.00 0.00 43.42 40.20 1jkn n LEU 3 CO 0.00 -2.09 0.04 0.61 -1.51 0.00 0.00 177.39 174.44 1jkn n GLY 4 N -4.20 4.57 2.82 -0.72 0.00 -1.26 -5.00 105.19 101.40 1jkn n GLY 4 Ca -0.08 -2.69 -0.16 0.00 0.00 0.00 0.00 46.02 43.08 1jkn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 5 N -2.21 1.01 -0.42 1.61 0.01 -1.26 -4.74 113.70 107.70 1jkn s SER 5 Ca 0.36 0.00 -0.11 0.00 1.31 0.00 0.00 55.95 57.52 1jkn s SER 5 Cb 0.11 0.54 0.07 0.00 0.21 0.00 0.00 66.02 66.95 1jkn s SER 5 CO -0.05 -0.31 0.28 -0.32 0.41 0.00 0.00 173.24 173.25 1jkn s MET 6 N 2.37 2.71 -0.02 12.44 1.75 0.30 -4.94 119.30 133.91 1jkn s MET 6 Ca 0.07 -1.39 0.00 0.00 -1.25 0.00 0.00 55.69 53.12 1jkn s MET 6 Cb -0.15 -3.85 0.03 0.00 2.84 0.00 0.00 34.83 33.71 1jkn s MET 6 CO -0.12 -0.94 0.77 -0.40 -0.65 0.00 0.00 175.02 173.69 1jkn n ASP 7 N 4.98 2.03 0.00 1.11 5.75 -1.26 0.14 116.55 129.30 1jkn n ASP 7 Ca -0.11 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1jkn n ASP 7 Cb 0.43 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jkn n SER 8 N 0.21 0.00 -4.60 -1.12 7.64 -1.26 -4.95 113.62 109.53 1jkn n SER 8 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.47 1jkn n SER 8 Cb 0.41 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1jkn n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jkn s PRO 9 N 0.00 3.21 0.77 1.43 0.04 -1.26 -4.96 135.00 134.22 1jkn s PRO 9 Ca 0.00 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 1jkn s PRO 9 Cb 0.00 -4.35 0.18 0.00 0.04 0.00 0.00 34.50 30.36 1jkn s PRO 9 CO 0.00 -2.02 1.03 -2.30 0.04 0.00 0.00 177.00 173.74 1jkn n PRO 10 N 8.66 -1.07 -3.34 0.56 -0.02 -1.26 -5.07 135.00 133.46 1jkn n PRO 10 Ca 0.29 -1.58 -0.31 0.00 -2.02 0.00 0.00 63.50 59.87 1jkn n PRO 10 Cb 0.45 -1.07 -0.05 0.00 -0.02 0.00 0.00 33.50 32.81 1jkn n PRO 10 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jkn s GLU 11 N -5.24 3.78 0.00 -0.52 2.02 -1.26 -4.16 118.70 113.32 1jkn s GLU 11 Ca 0.58 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.84 1jkn s GLU 11 Cb -0.02 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1jkn s GLU 11 CO 0.41 0.26 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1jkn n GLY 12 N -0.39 3.03 3.85 -1.39 0.00 -1.26 -5.00 105.19 104.03 1jkn n GLY 12 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jkn n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jkn s TYR 13 N -2.46 3.60 0.40 1.61 1.51 -1.26 -2.31 117.35 118.45 1jkn s TYR 13 Ca 0.00 0.62 -0.15 0.00 -1.01 0.00 0.00 57.07 56.54 1jkn s TYR 13 Cb 0.00 -2.06 -0.08 0.00 -0.11 0.00 0.00 41.96 39.70 1jkn s TYR 13 CO 0.00 0.65 0.83 0.50 -1.11 0.00 0.00 175.55 176.42 1jkn s ARG 14 N -0.83 3.96 0.08 -0.62 3.52 -0.96 -4.61 118.95 119.50 1jkn s ARG 14 Ca 0.17 0.74 -0.31 0.00 -0.13 0.00 0.00 55.73 56.19 1jkn s ARG 14 Cb -0.13 -2.32 -0.07 0.00 -1.56 0.00 0.00 34.95 30.87 1jkn s ARG 14 CO 0.06 -0.01 1.29 1.03 -0.81 0.00 0.00 175.30 176.85 1jkn s ARG 15 N -3.48 4.38 0.15 5.12 1.81 -1.26 -2.32 118.95 123.34 1jkn s ARG 15 Ca 0.55 1.91 -0.15 0.00 -1.72 0.00 0.00 55.73 56.33 1jkn s ARG 15 Cb -0.10 -3.31 0.02 0.00 -0.45 0.00 0.00 34.95 31.12 1jkn s ARG 15 CO 0.24 -0.35 0.40 1.21 -0.68 0.00 0.00 175.30 176.12 1jkn s ASN 16 N 1.10 -0.18 -0.03 0.23 3.84 -1.21 -1.61 114.94 117.08 1jkn s ASN 16 Ca 0.61 -0.46 0.03 0.00 0.21 0.00 0.00 52.86 53.25 1jkn s ASN 16 Cb -0.33 0.48 0.00 0.00 -0.55 0.00 0.00 41.25 40.86 1jkn s ASN 16 CO 0.30 -0.90 -0.10 0.68 -2.79 0.00 0.00 177.10 174.29 1jkn s VAL 17 N -3.85 0.85 0.08 -5.21 -7.23 0.96 -2.90 120.40 103.12 1jkn s VAL 17 Ca 0.07 -0.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 1jkn s VAL 17 Cb 0.02 -0.76 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1jkn s VAL 17 CO -0.08 0.26 0.13 -0.83 -0.31 0.00 0.00 175.10 174.27 1jkn s GLY 18 N 0.20 2.03 -0.31 2.32 0.00 -1.08 -1.39 107.32 109.09 1jkn s GLY 18 Ca -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1jkn s GLY 18 CO 0.01 -0.97 0.05 -0.42 0.00 0.00 0.00 173.10 171.77 1jkn s ILE 19 N -1.47 1.48 -0.63 0.90 1.09 -0.65 -0.54 121.20 121.38 1jkn s ILE 19 Ca 0.31 -1.69 -0.22 0.00 -1.10 0.00 0.00 60.65 57.95 1jkn s ILE 19 Cb -0.12 -2.04 0.08 0.00 -1.06 0.00 0.00 42.46 39.32 1jkn s ILE 19 CO 0.24 -0.54 0.89 0.00 -0.10 0.00 0.00 174.94 175.43 1jkn s LEU 21 N 3.69 4.07 0.18 0.00 2.96 -1.26 0.18 118.68 128.50 1jkn s LEU 21 Ca 0.20 0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 1jkn s LEU 21 Cb -0.18 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1jkn s LEU 21 CO 0.10 0.31 -0.16 0.00 -1.32 0.00 0.00 176.35 175.28 1jkn s MET 22 N -1.51 1.28 0.46 1.98 0.23 0.41 0.12 119.30 122.26 1jkn s MET 22 Ca 0.21 -1.48 0.07 0.00 -1.03 0.00 0.00 55.69 53.46 1jkn s MET 22 Cb -0.12 -1.18 0.02 0.00 -1.53 0.00 0.00 34.83 32.02 1jkn s MET 22 CO 0.11 0.22 0.63 0.54 -2.03 0.00 0.00 175.02 174.49 1jkn s ASN 23 N -2.96 5.53 0.41 -1.18 4.22 -0.56 -1.67 114.94 118.73 1jkn s ASN 23 Ca 0.18 -0.41 0.24 0.00 -2.14 0.00 0.00 52.86 50.74 1jkn s ASN 23 Cb -0.03 -0.58 1.33 0.00 1.28 0.00 0.00 41.25 43.24 1jkn s ASN 23 CO 0.06 -0.88 1.73 -1.13 -2.04 0.00 0.00 177.10 174.84 1jkn h ASN 24 N 0.50 0.00 -0.05 3.54 -0.73 -1.91 0.34 115.58 117.26 1jkn h ASN 24 Ca -0.39 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.78 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1jkn h ASN 24 CO 0.45 0.00 0.00 0.47 -0.37 0.00 0.00 177.43 177.98 1jkn n ASP 25 N -2.40 1.42 -0.40 1.15 8.00 -1.26 -4.91 116.55 118.15 1jkn n ASP 25 Ca -0.02 -1.51 -0.04 0.00 0.71 0.00 0.00 54.79 53.93 1jkn n ASP 25 Cb 0.13 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1jkn n ASP 25 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jkn n LYS 26 N 0.12 -0.30 -2.97 -1.24 5.02 0.12 -5.05 118.16 113.86 1jkn n LYS 26 Ca 0.19 0.32 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 1jkn n LYS 26 Cb 0.33 -4.03 0.02 0.00 -0.02 0.00 0.00 35.03 31.34 1jkn n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1jkn s LYS 27 N -3.63 2.69 -0.21 1.97 1.02 -1.25 -4.81 119.74 115.52 1jkn s LYS 27 Ca 0.00 -1.26 -0.04 0.00 0.02 0.00 0.00 55.97 54.68 1jkn s LYS 27 Cb 0.00 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1jkn s LYS 27 CO 0.00 -0.44 -0.02 0.42 -0.92 0.00 0.00 175.35 174.39 1jkn s ILE 28 N -2.46 3.71 -0.26 2.17 1.09 0.27 -1.50 121.20 124.22 1jkn s ILE 28 Ca 0.57 -0.39 -0.32 0.00 -1.10 0.00 0.00 60.65 59.41 1jkn s ILE 28 Cb -0.09 -2.68 -0.09 0.00 -1.06 0.00 0.00 42.46 38.54 1jkn s ILE 28 CO 0.35 0.42 2.17 0.33 -0.10 0.00 0.00 174.94 178.11 1jkn n PHE 29 N 4.48 1.84 -4.96 3.97 7.35 0.31 -2.90 117.46 127.55 1jkn n PHE 29 Ca -0.17 0.07 -0.33 0.00 -0.76 0.00 0.00 57.45 56.26 1jkn n PHE 29 Cb 0.51 -2.63 -0.15 0.00 0.35 0.00 0.00 39.48 37.56 1jkn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jkn s ALA 30 N 7.35 2.44 -0.05 3.13 0.00 -0.22 -4.68 121.76 129.73 1jkn s ALA 30 Ca 1.04 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 52.12 1jkn s ALA 30 Cb -0.62 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1jkn s ALA 30 CO 0.44 0.28 -0.18 0.00 0.00 0.00 0.00 175.76 176.29 1jkn s ALA 31 N 0.31 2.50 0.54 0.00 0.00 -0.56 0.11 121.76 124.66 1jkn s ALA 31 Ca -0.13 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 1jkn s ALA 31 Cb -0.17 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1jkn s ALA 31 CO 0.07 0.51 0.94 -1.54 0.00 0.00 0.00 175.76 175.74 1jkn s SER 32 N -0.56 6.36 0.71 0.00 1.04 0.81 -0.65 113.70 121.42 1jkn s SER 32 Ca 0.08 1.32 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 1jkn s SER 32 Cb -0.11 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.61 1jkn s SER 32 CO 0.01 -0.69 1.07 -0.13 0.98 0.00 0.00 173.24 174.48 1jkn s ARG 33 N -4.67 2.75 0.00 4.02 0.52 0.45 -2.88 118.95 119.14 1jkn s ARG 33 Ca 0.54 1.03 0.25 0.00 -0.52 0.00 0.00 55.73 57.03 1jkn s ARG 33 Cb -0.11 -1.96 0.49 0.00 0.52 0.00 0.00 34.95 33.89 1jkn s ARG 33 CO 0.44 -1.25 1.40 1.28 0.02 0.00 0.00 175.30 177.19 1jkn n LEU 34 N -3.19 1.27 0.00 2.53 4.77 -1.00 -4.13 117.00 117.25 1jkn n LEU 34 Ca 0.08 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1jkn n LEU 34 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1jkn n LEU 34 CO 0.55 0.24 -0.20 -0.67 -1.33 0.00 0.00 177.39 175.98 1jkn n ASP 35 N -0.56 2.02 -4.07 -1.43 2.03 -1.26 -4.98 116.55 108.29 1jkn n ASP 35 Ca 0.11 -0.06 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 1jkn n ASP 35 Cb 0.38 0.52 -0.15 0.00 -0.72 0.00 0.00 41.12 41.15 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1jkn s ILE 36 N -0.92 2.06 0.20 5.18 1.01 -1.26 -5.10 121.20 122.37 1jkn s ILE 36 Ca 0.00 -1.40 -0.31 0.00 0.00 0.00 0.00 60.65 58.94 1jkn s ILE 36 Cb 0.00 -2.11 -0.10 0.00 0.01 0.00 0.00 42.46 40.27 1jkn s ILE 36 CO 0.00 0.12 1.48 -2.16 0.00 0.00 0.00 174.94 174.38 1jkn s PRO 37 N 1.19 4.25 0.00 2.79 0.04 -1.26 -1.93 135.00 140.08 1jkn s PRO 37 Ca -0.05 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1jkn s PRO 37 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1jkn s PRO 37 CO -0.07 -0.50 0.00 -3.47 0.04 0.00 0.00 177.00 173.00 1jkn n ASP 38 N 3.23 -1.68 -4.43 6.66 2.03 -1.26 -4.97 116.55 116.13 1jkn n ASP 38 Ca 0.10 0.00 -0.44 0.00 0.52 0.00 0.00 54.79 54.98 1jkn n ASP 38 Cb 0.40 -0.69 -0.04 0.00 -0.72 0.00 0.00 41.12 40.08 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jkn s ALA 39 N -2.71 3.27 0.17 -1.67 0.00 -0.81 -4.97 121.76 115.03 1jkn s ALA 39 Ca 0.00 -2.18 0.04 0.00 0.00 0.00 0.00 51.96 49.82 1jkn s ALA 39 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1jkn s ALA 39 CO 0.00 -2.70 0.21 -1.58 0.00 0.00 0.00 175.76 171.68 1jkn s TRP 40 N 3.32 3.28 0.12 0.00 0.52 -1.26 0.17 118.94 125.10 1jkn s TRP 40 Ca 0.22 0.02 -0.26 0.00 0.02 0.00 0.00 56.10 56.10 1jkn s TRP 40 Cb -0.16 -1.56 0.08 0.00 -1.15 0.00 0.00 33.47 30.68 1jkn s TRP 40 CO 0.04 0.51 1.04 1.14 0.02 0.00 0.00 176.95 179.71 1jkn s GLN 41 N -3.25 1.04 0.32 4.98 0.00 0.18 -4.29 119.66 118.62 1jkn s GLN 41 Ca 0.33 -0.59 -0.08 0.00 -0.00 0.00 0.00 55.36 55.02 1jkn s GLN 41 Cb -0.10 0.35 -0.06 0.00 0.00 0.00 0.00 33.01 33.19 1jkn s GLN 41 CO 0.26 -0.48 0.62 -1.64 0.00 0.00 0.00 175.29 174.05 1jkn s MET 42 N -2.99 3.71 0.30 9.60 -1.94 -1.26 -1.49 119.30 125.23 1jkn s MET 42 Ca 0.14 0.20 -0.29 0.00 -1.71 0.00 0.00 55.69 54.03 1jkn s MET 42 Cb -0.00 -2.56 -0.10 0.00 2.01 0.00 0.00 34.83 34.18 1jkn s MET 42 CO 0.01 0.15 1.25 -1.25 -0.01 0.00 0.00 175.02 175.18 1jkn s PRO 43 N -3.51 4.44 0.14 2.03 0.04 -1.26 -4.95 135.00 131.92 1jkn s PRO 43 Ca 0.47 2.08 -0.13 0.00 0.04 0.00 0.00 61.00 63.47 1jkn s PRO 43 Cb -0.11 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1jkn s PRO 43 CO 0.29 -0.09 0.35 1.14 0.04 0.00 0.00 177.00 178.72 1jkn s GLN 44 N -1.45 1.11 -0.25 4.56 1.03 -1.26 -1.63 119.66 121.77 1jkn s GLN 44 Ca 0.49 -0.94 -0.26 0.00 0.04 0.00 0.00 55.36 54.69 1jkn s GLN 44 Cb -0.37 0.42 0.11 0.00 0.03 0.00 0.00 33.01 33.20 1jkn s GLN 44 CO 0.48 -0.42 0.94 0.20 -2.54 0.00 0.00 175.29 173.94 1jkn s GLY 45 N -2.88 -0.28 0.39 2.60 0.00 -0.49 -4.94 107.32 101.73 1jkn s GLY 45 Ca 0.09 2.38 -0.27 0.00 0.00 0.00 0.00 44.72 46.92 1jkn s GLY 45 CO -0.06 1.67 1.40 0.61 0.00 0.00 0.00 173.10 176.72 1jkn n GLY 46 N 2.06 0.94 3.80 0.20 0.00 -1.26 -0.03 105.19 110.89 1jkn n GLY 46 Ca -0.13 0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1jkn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkn s ILE 47 N -1.14 3.70 0.21 -0.61 1.01 -0.63 -4.74 121.20 119.00 1jkn s ILE 47 Ca 0.56 0.58 -0.11 0.00 0.00 0.00 0.00 60.65 61.69 1jkn s ILE 47 Cb -0.50 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1jkn s ILE 47 CO 0.62 -0.69 0.55 -1.81 0.00 0.00 0.00 174.94 173.61 1jkn s ASP 48 N -3.49 6.68 -0.75 3.58 1.11 -1.26 -4.88 116.67 117.66 1jkn s ASP 48 Ca 0.60 0.97 -0.28 0.00 0.18 0.00 0.00 52.55 54.02 1jkn s ASP 48 Cb -0.16 -2.25 -0.15 0.00 1.07 0.00 0.00 42.92 41.44 1jkn s ASP 48 CO 0.53 -0.03 2.55 -1.84 1.18 0.00 0.00 175.17 177.56 1jkn n GLU 49 N 0.11 0.51 -2.45 8.23 0.28 -1.26 0.35 120.64 126.41 1jkn n GLU 49 Ca -0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1jkn n GLU 49 Cb 0.52 -2.48 0.00 0.00 1.43 0.00 0.00 31.44 30.91 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jkn n GLY 50 N 6.25 0.94 3.62 -1.84 0.00 -1.26 -5.07 105.19 107.83 1jkn n GLY 50 Ca 0.52 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1jkn n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jkn s GLU 51 N -4.90 2.44 0.07 1.61 2.56 0.15 -5.10 118.70 115.53 1jkn s GLU 51 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 54.97 53.83 1jkn s GLU 51 Cb 0.00 -2.46 -0.06 0.00 2.00 0.00 0.00 34.13 33.61 1jkn s GLU 51 CO 0.00 0.56 1.17 0.34 -0.56 0.00 0.00 175.26 176.76 1jkn s ASP 52 N -1.90 7.13 0.59 -1.70 2.15 -1.26 -4.75 116.67 116.92 1jkn s ASP 52 Ca 0.21 1.98 0.29 0.00 0.43 0.00 0.00 52.55 55.46 1jkn s ASP 52 Cb -0.11 -2.58 1.47 0.00 -0.30 0.00 0.00 42.92 41.39 1jkn s ASP 52 CO 0.12 -0.42 1.88 -0.65 -0.17 0.00 0.00 175.17 175.93 1jkn h PRO 53 N 6.64 0.00 0.00 4.34 0.11 -1.97 0.61 132.00 141.73 1jkn h PRO 53 Ca -0.42 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.64 1jkn h PRO 53 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1jkn h PRO 53 CO 0.80 0.00 -0.82 -0.09 -0.21 0.00 0.00 178.00 177.67 1jkn h ARG 54 N 0.00 0.00 0.11 1.05 2.43 -1.91 -3.13 114.38 112.93 1jkn h ARG 54 Ca 0.22 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 59.02 1jkn h ARG 54 Cb 1.21 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1jkn h ARG 54 CO -0.00 0.14 -2.02 0.09 -1.51 0.00 0.00 179.97 176.66 1jkn n ASN 55 N -2.89 2.11 0.20 -3.80 3.02 0.16 -3.07 115.26 110.99 1jkn n ASN 55 Ca -0.01 0.19 0.04 0.00 -0.03 0.00 0.00 54.58 54.77 1jkn n ASN 55 Cb 0.64 -0.83 0.47 0.00 -0.61 0.00 0.00 39.78 39.44 1jkn n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkn h ALA 56 N 0.05 1.63 0.03 5.41 0.00 -0.29 -0.57 119.26 125.52 1jkn h ALA 56 Ca -0.44 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1jkn h ALA 56 Cb 2.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1jkn h ALA 56 CO 0.07 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 1jkn h ALA 57 N 1.77 -0.04 -0.25 0.00 0.00 -1.69 0.47 119.26 119.52 1jkn h ALA 57 Ca 0.01 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1jkn h ALA 57 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jkn h ALA 57 CO 0.03 -0.15 0.18 0.82 0.00 0.00 0.00 179.25 180.12 1jkn h ILE 58 N -0.77 0.88 0.00 0.00 2.04 -1.44 0.28 117.51 118.50 1jkn h ILE 58 Ca -0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1jkn h ILE 58 Cb 0.69 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1jkn h ILE 58 CO 0.01 0.00 -0.14 -0.09 0.00 0.00 0.00 178.15 177.93 1jkn h ARG 59 N 0.02 0.00 -0.40 2.37 2.43 -1.08 -3.25 114.38 114.46 1jkn h ARG 59 Ca 0.12 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.37 1jkn h ARG 59 Cb 0.45 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.93 1jkn h ARG 59 CO -0.00 0.69 -0.04 0.93 -1.51 0.00 0.00 179.97 180.03 1jkn h GLU 60 N -1.00 0.06 0.14 0.20 4.39 0.46 -1.05 114.58 117.77 1jkn h GLU 60 Ca -0.03 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1jkn h GLU 60 Cb 0.74 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1jkn h GLU 60 CO -0.02 0.04 -0.30 1.25 -1.16 0.00 0.00 179.01 178.82 1jkn h LEU 61 N 0.06 -0.84 -0.96 1.33 5.85 -0.62 0.48 115.31 120.60 1jkn h LEU 61 Ca 0.20 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1jkn h LEU 61 Cb 0.29 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1jkn h LEU 61 CO -0.37 -0.39 0.00 -1.14 -0.34 0.00 0.00 178.44 176.20 1jkn n ARG 62 N -5.40 0.11 -0.05 1.25 0.63 -1.01 0.93 116.66 113.12 1jkn n ARG 62 Ca -0.07 0.57 -0.22 0.00 -0.92 0.00 0.00 57.85 57.21 1jkn n ARG 62 Cb 0.31 -1.82 -0.13 0.00 0.45 0.00 0.00 32.46 31.27 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1jkn n GLU 63 N -2.04 0.69 0.03 -0.14 1.02 0.54 -2.37 120.64 118.37 1jkn n GLU 63 Ca -0.01 0.32 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 1jkn n GLU 63 Cb 0.05 -1.68 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jkn n GLU 64 N -3.73 0.63 -0.00 3.49 1.02 0.14 -2.67 120.64 119.51 1jkn n GLU 64 Ca -0.35 0.18 0.01 0.00 -0.02 0.00 0.00 57.16 56.97 1jkn n GLU 64 Cb 0.94 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jkn n THR 65 N -2.83 0.00 -0.95 2.62 -2.24 0.27 -4.30 114.28 106.85 1jkn n THR 65 Ca -0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1jkn n THR 65 Cb 0.83 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1jkn n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 66 N 2.41 0.34 3.63 3.38 0.00 -0.60 0.15 105.19 114.50 1jkn n GLY 66 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1jkn n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkn s VAL 67 N -1.81 3.53 -0.19 1.61 1.01 -1.25 -4.53 120.40 118.78 1jkn s VAL 67 Ca 0.00 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.69 1jkn s VAL 67 Cb 0.00 -3.52 -0.22 0.00 0.00 0.00 0.00 36.38 32.63 1jkn s VAL 67 CO 0.00 -0.20 0.09 0.35 0.00 0.00 0.00 175.10 175.34 1jkn n THR 68 N 6.34 1.49 -2.76 3.92 -2.24 -1.26 -4.11 114.28 115.66 1jkn n THR 68 Ca 0.20 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1jkn n THR 68 Cb 0.44 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1jkn n THR 68 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jkn n SER 69 N -3.02 5.23 -3.70 3.42 7.64 -1.26 -4.90 113.62 117.02 1jkn n SER 69 Ca -0.35 -3.04 -0.11 0.00 1.01 0.00 0.00 58.87 56.38 1jkn n SER 69 Cb 1.08 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 1jkn n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jkn s ALA 70 N 0.91 -0.85 0.08 -0.43 0.00 -1.26 0.98 121.76 121.19 1jkn s ALA 70 Ca 0.41 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.76 1jkn s ALA 70 Cb 0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1jkn s ALA 70 CO 0.00 -0.28 -0.18 -1.83 0.00 0.00 0.00 175.76 173.47 1jkn s GLU 71 N 1.45 1.91 -0.21 0.00 -1.05 -0.28 -4.85 118.70 115.68 1jkn s GLU 71 Ca -0.09 -1.09 -0.29 0.00 -0.15 0.00 0.00 54.97 53.35 1jkn s GLU 71 Cb -0.09 -2.14 -0.00 0.00 -0.44 0.00 0.00 34.13 31.45 1jkn s GLU 71 CO -0.11 0.51 1.19 0.08 0.95 0.00 0.00 175.26 177.88 1jkn s VAL 72 N -1.03 4.39 -0.12 1.83 1.01 -1.26 0.24 120.40 125.46 1jkn s VAL 72 Ca 0.16 1.67 0.18 0.00 0.00 0.00 0.00 61.98 63.99 1jkn s VAL 72 Cb -0.11 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 31.95 1jkn s VAL 72 CO 0.08 -0.22 0.62 -0.38 0.00 0.00 0.00 175.10 175.20 1jkn n ILE 73 N 5.50 1.09 -3.88 2.22 5.41 0.30 -4.87 119.36 125.13 1jkn n ILE 73 Ca 0.13 -0.70 -0.08 0.00 1.00 0.00 0.00 62.75 63.10 1jkn n ILE 73 Cb 0.46 -0.60 -0.02 0.00 -0.71 0.00 0.00 39.64 38.76 1jkn n ILE 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jkn s ALA 74 N -2.90 -0.98 -0.16 -1.39 0.00 -1.14 -4.95 121.76 110.24 1jkn s ALA 74 Ca -0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 1jkn s ALA 74 Cb 0.09 0.86 0.08 0.00 0.00 0.00 0.00 23.12 24.15 1jkn s ALA 74 CO 0.83 -1.00 0.31 -2.00 0.00 0.00 0.00 175.76 173.90 1jkn s GLU 75 N -3.70 0.21 0.07 0.00 2.12 -1.26 0.09 118.70 116.24 1jkn s GLU 75 Ca 0.14 0.79 -0.32 0.00 0.36 0.00 0.00 54.97 55.94 1jkn s GLU 75 Cb -0.05 -0.02 -0.11 0.00 0.26 0.00 0.00 34.13 34.21 1jkn s GLU 75 CO 0.08 -0.32 1.84 0.28 -0.54 0.00 0.00 175.26 176.60 1jkn n VAL 76 N 5.36 0.43 0.29 3.70 0.31 -0.09 -4.85 118.33 123.48 1jkn n VAL 76 Ca -0.07 -0.08 0.15 0.00 -0.01 0.00 0.00 64.34 64.34 1jkn n VAL 76 Cb 0.50 -2.03 0.74 0.00 -0.91 0.00 0.00 33.84 32.13 1jkn n VAL 76 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jkn h PRO 77 N 8.68 0.00 0.00 5.55 0.13 -1.98 -3.44 132.00 140.94 1jkn h PRO 77 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.11 1jkn h PRO 77 Cb 1.24 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 1jkn h PRO 77 CO 0.94 0.00 -0.42 2.48 -0.23 0.00 0.00 178.00 180.77 1jkn n TYR 78 N -2.62 0.63 -4.34 1.56 0.18 -1.26 -4.96 117.16 106.35 1jkn n TYR 78 Ca -0.01 -2.28 -0.31 0.00 1.88 0.00 0.00 57.90 57.18 1jkn n TYR 78 Cb 0.15 -0.17 -0.10 0.00 -0.38 0.00 0.00 39.34 38.84 1jkn n TYR 78 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1jkn s TRP 79 N -2.76 2.90 -0.24 -3.48 0.52 0.37 -4.58 118.94 111.67 1jkn s TRP 79 Ca 0.08 -0.04 -0.03 0.00 0.02 0.00 0.00 56.10 56.13 1jkn s TRP 79 Cb 0.00 -1.57 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 1jkn s TRP 79 CO 0.06 0.41 -0.04 -0.51 0.02 0.00 0.00 176.95 176.90 1jkn s LEU 80 N -1.73 3.11 -0.13 2.99 1.43 0.21 0.11 118.68 124.67 1jkn s LEU 80 Ca 0.20 -0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1jkn s LEU 80 Cb -0.11 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1jkn s LEU 80 CO 0.11 -0.08 -0.05 0.42 0.23 0.00 0.00 176.35 176.98 1jkn s THR 81 N 1.42 3.79 0.20 5.49 -4.23 -1.26 -1.94 115.64 119.11 1jkn s THR 81 Ca 0.03 -0.41 0.06 0.00 -1.18 0.00 0.00 61.69 60.19 1jkn s THR 81 Cb -0.15 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.01 1jkn s THR 81 CO -0.03 0.52 -0.09 -0.72 -0.54 0.00 0.00 174.62 173.76 1jkn s TYR 82 N 0.07 1.55 0.24 3.99 1.13 -1.25 -4.94 117.35 118.14 1jkn s TYR 82 Ca -0.01 -0.72 0.11 0.00 -1.41 0.00 0.00 57.07 55.04 1jkn s TYR 82 Cb -0.14 -0.80 -0.05 0.00 -1.10 0.00 0.00 41.96 39.88 1jkn s TYR 82 CO 0.03 0.18 -0.19 0.16 -2.51 0.00 0.00 175.55 173.21 1jkn s ASP 83 N -3.28 3.25 0.09 -0.18 1.47 -1.26 -3.26 116.67 113.50 1jkn s ASP 83 Ca 0.22 -0.98 0.03 0.00 1.18 0.00 0.00 52.55 53.00 1jkn s ASP 83 Cb 0.02 -0.24 -0.04 0.00 -0.34 0.00 0.00 42.92 42.32 1jkn s ASP 83 CO 0.05 0.00 0.12 -0.36 0.68 0.00 0.00 175.17 175.67 1jkn s PHE 84 N -2.39 3.26 1.12 2.11 0.08 -1.25 -4.87 117.98 116.03 1jkn s PHE 84 Ca 0.25 0.10 -0.12 0.00 0.12 0.00 0.00 56.93 57.28 1jkn s PHE 84 Cb -0.05 -1.63 0.26 0.00 -0.57 0.00 0.00 43.02 41.03 1jkn s PHE 84 CO 0.11 0.53 1.05 -1.25 -0.10 0.00 0.00 175.22 175.56 1jkn s PRO 85 N -2.54 -0.57 0.40 0.24 0.04 -1.26 -4.36 135.00 126.95 1jkn s PRO 85 Ca 0.31 0.86 0.28 0.00 0.04 0.00 0.00 61.00 62.49 1jkn s PRO 85 Cb -0.12 -1.59 1.43 0.00 0.04 0.00 0.00 34.50 34.26 1jkn s PRO 85 CO 0.24 -3.50 1.84 -1.00 0.04 0.00 0.00 177.00 174.62 1jkn h PRO 86 N -2.46 0.00 0.08 0.56 0.13 -1.99 0.65 132.00 128.97 1jkn h PRO 86 Ca -0.59 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.17 1jkn h PRO 86 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1jkn h PRO 86 CO 0.50 0.00 -2.12 0.36 -0.23 0.00 0.00 178.00 176.52 1jkn n LYS 87 N -2.48 0.72 0.02 0.86 2.85 -1.26 -3.10 118.16 115.76 1jkn n LYS 87 Ca -0.01 0.23 -0.18 0.00 -1.05 0.00 0.00 58.31 57.30 1jkn n LYS 87 Cb 0.09 -1.66 -0.13 0.00 -0.65 0.00 0.00 35.03 32.68 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1jkn h VAL 88 N 0.05 1.53 -0.25 0.58 2.07 -1.77 -1.43 116.25 117.04 1jkn h VAL 88 Ca -0.46 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 64.72 1jkn h VAL 88 Cb 2.00 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 34.80 1jkn h VAL 88 CO 0.04 0.66 0.13 -0.09 0.02 0.00 0.00 177.57 178.33 1jkn h ARG 89 N -0.41 0.36 0.00 1.57 2.43 0.10 0.78 114.38 119.21 1jkn h ARG 89 Ca -0.10 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1jkn h ARG 89 Cb 1.41 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1jkn h ARG 89 CO 0.11 0.34 -0.19 1.49 -1.51 0.00 0.00 179.97 180.21 1jkn h GLU 90 N 0.29 0.00 0.10 0.20 4.57 -1.65 -2.24 114.58 115.86 1jkn h GLU 90 Ca 0.09 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.07 1jkn h GLU 90 Cb 0.09 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1jkn h GLU 90 CO -0.01 0.19 -0.96 -0.22 -1.18 0.00 0.00 179.01 176.83 1jkn h LYS 91 N 0.00 0.21 -0.86 1.92 3.11 -0.42 -3.35 116.57 117.18 1jkn h LYS 91 Ca -0.00 -0.37 0.06 0.00 -2.81 0.00 0.00 60.65 57.53 1jkn h LYS 91 Cb 0.50 0.14 -0.06 0.00 -1.00 0.00 0.00 32.23 31.80 1jkn h LYS 91 CO 0.02 1.18 0.54 -0.07 -2.81 0.00 0.00 179.45 178.31 1jkn h LEU 92 N -0.48 0.84 -1.46 5.20 3.38 0.68 0.26 115.31 123.72 1jkn h LEU 92 Ca -0.20 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.14 1jkn h LEU 92 Cb 1.57 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 1jkn h LEU 92 CO 0.07 0.54 0.79 0.78 0.09 0.00 0.00 178.44 180.71 1jkn h ASN 93 N 0.98 0.30 0.01 -0.43 2.35 -1.51 1.54 115.58 118.81 1jkn h ASN 93 Ca 0.37 0.10 -0.39 0.00 -0.55 0.00 0.00 56.30 55.83 1jkn h ASN 93 Cb 0.16 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1jkn h ASN 93 CO -0.17 -0.04 -2.18 -0.38 -1.65 0.00 0.00 177.43 173.01 1jkn n ILE 94 N -4.59 1.55 0.23 2.81 -0.00 -0.45 -2.68 119.36 116.22 1jkn n ILE 94 Ca 0.31 -0.36 -0.14 0.00 -0.00 0.00 0.00 62.75 62.56 1jkn n ILE 94 Cb 1.19 -1.82 -0.08 0.00 -0.00 0.00 0.00 39.64 38.93 1jkn n ILE 94 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1jkn h GLN 95 N -0.72 -0.57 0.09 0.38 4.20 0.18 -3.30 115.11 115.37 1jkn h GLN 95 Ca -0.57 0.04 -0.27 0.00 0.06 0.00 0.00 58.65 57.91 1jkn h GLN 95 Cb 1.63 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.54 1jkn h GLN 95 CO -0.27 -0.26 -1.28 -1.49 -0.67 0.00 0.00 178.83 174.86 1jkn h TRP 96 N -0.89 0.35 -0.79 2.96 4.06 0.17 -3.49 115.95 118.33 1jkn h TRP 96 Ca -0.06 -0.25 -0.01 0.00 2.06 0.00 0.00 58.89 60.63 1jkn h TRP 96 Cb 0.57 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1jkn h TRP 96 CO 0.01 1.23 -0.01 0.41 -3.56 0.00 0.00 178.44 176.52 1jkn n GLY 97 N 1.52 0.78 3.22 1.49 0.00 0.14 -4.98 105.19 107.35 1jkn n GLY 97 Ca -0.09 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1jkn n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jkn s SER 98 N -3.00 2.13 -0.39 1.61 0.01 -1.24 -4.99 113.70 107.83 1jkn s SER 98 Ca 0.01 -0.57 0.05 0.00 1.31 0.00 0.00 55.95 56.74 1jkn s SER 98 Cb -0.00 -0.13 0.46 0.00 0.21 0.00 0.00 66.02 66.56 1jkn s SER 98 CO 0.01 0.05 1.45 0.47 0.41 0.00 0.00 173.24 175.63 1jkn n ASP 99 N 1.53 5.16 -4.90 2.44 9.92 -1.26 -3.86 116.55 125.57 1jkn n ASP 99 Ca -0.19 -3.77 -0.31 0.00 -0.53 0.00 0.00 54.79 49.99 1jkn n ASP 99 Cb 0.54 -0.56 -0.04 0.00 -0.64 0.00 0.00 41.12 40.42 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1jkn s TRP 100 N -3.60 3.48 -0.09 1.24 0.52 -1.26 -5.00 118.94 114.24 1jkn s TRP 100 Ca 0.53 0.48 0.13 0.00 0.02 0.00 0.00 56.10 57.26 1jkn s TRP 100 Cb 0.43 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.79 1jkn s TRP 100 CO 0.02 0.46 1.34 0.87 0.02 0.00 0.00 176.95 179.66 1jkn h LYS 101 N 2.81 0.00 0.00 4.98 6.56 -1.84 -3.49 116.57 125.58 1jkn h LYS 101 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 1jkn h LYS 101 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1jkn h LYS 101 CO 0.73 0.60 0.00 0.41 -2.06 0.00 0.00 179.45 179.13 1jkn n GLY 102 N 1.27 1.79 3.18 3.86 0.00 -1.25 -3.82 105.19 110.22 1jkn n GLY 102 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1jkn n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 103 N 1.77 0.36 -0.56 1.61 1.11 -1.20 -2.26 119.66 120.48 1jkn s GLN 103 Ca 0.00 0.92 -0.25 0.00 0.01 0.00 0.00 55.36 56.05 1jkn s GLN 103 Cb 0.00 0.16 0.04 0.00 -1.01 0.00 0.00 33.01 32.20 1jkn s GLN 103 CO 0.00 -0.38 0.97 0.00 0.01 0.00 0.00 175.29 175.90 1jkn s ALA 104 N 2.63 3.14 0.29 6.09 0.00 -0.98 -3.86 121.76 129.06 1jkn s ALA 104 Ca 0.03 -1.21 0.11 0.00 0.00 0.00 0.00 51.96 50.89 1jkn s ALA 104 Cb -0.13 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 1jkn s ALA 104 CO -0.14 -2.43 -0.11 1.14 0.00 0.00 0.00 175.76 174.22 1jkn s GLN 105 N 4.08 1.91 -0.34 0.00 -2.07 -0.82 -3.36 119.66 119.06 1jkn s GLN 105 Ca 0.32 -1.70 -0.01 0.00 -1.82 0.00 0.00 55.36 52.15 1jkn s GLN 105 Cb -0.12 -1.88 0.08 0.00 -1.09 0.00 0.00 33.01 29.99 1jkn s GLN 105 CO 0.20 0.29 0.07 0.21 -1.32 0.00 0.00 175.29 174.74 1jkn s LYS 106 N -3.59 2.14 0.19 9.60 2.47 -1.14 0.67 119.74 130.07 1jkn s LYS 106 Ca 0.31 -1.55 -0.30 0.00 -1.56 0.00 0.00 55.97 52.88 1jkn s LYS 106 Cb -0.04 -3.31 -0.08 0.00 -1.46 0.00 0.00 37.83 32.94 1jkn s LYS 106 CO 0.17 -0.82 1.09 -1.58 0.16 0.00 0.00 175.35 174.37 1jkn s TRP 107 N 1.16 3.61 -0.08 4.03 0.52 -1.26 -2.63 118.94 124.29 1jkn s TRP 107 Ca 0.02 1.63 0.05 0.00 0.02 0.00 0.00 56.10 57.81 1jkn s TRP 107 Cb -0.21 -3.26 -0.01 0.00 -1.15 0.00 0.00 33.47 28.85 1jkn s TRP 107 CO -0.03 -0.53 -0.22 -0.06 0.02 0.00 0.00 176.95 176.12 1jkn s PHE 108 N -0.37 2.54 0.13 -1.98 0.40 0.30 -0.92 117.98 118.08 1jkn s PHE 108 Ca 0.48 -0.75 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 1jkn s PHE 108 Cb -0.29 -1.66 -0.06 0.00 0.51 0.00 0.00 43.02 41.51 1jkn s PHE 108 CO 0.35 -0.23 0.97 -1.17 0.70 0.00 0.00 175.22 175.84 1jkn s LEU 109 N -0.02 4.51 -0.05 -0.37 2.96 0.11 0.40 118.68 126.23 1jkn s LEU 109 Ca -0.07 1.84 0.03 0.00 -0.22 0.00 0.00 54.13 55.71 1jkn s LEU 109 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jkn s LEU 109 CO 0.05 -0.06 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.52 1jkn s PHE 110 N -0.14 1.51 -0.28 5.38 0.40 0.47 0.11 117.98 125.43 1jkn s PHE 110 Ca 0.47 -0.48 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1jkn s PHE 110 Cb -0.24 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 1jkn s PHE 110 CO 0.31 -0.20 0.37 0.21 0.70 0.00 0.00 175.22 176.60 1jkn s LYS 111 N 0.28 3.96 -0.02 0.44 2.20 0.65 -0.44 119.74 126.81 1jkn s LYS 111 Ca -0.08 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 1jkn s LYS 111 Cb -0.13 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.46 1jkn s LYS 111 CO 0.03 -0.30 1.53 0.12 -0.36 0.00 0.00 175.35 176.36 1jkn s PHE 112 N 2.06 2.46 -0.25 4.03 5.36 -0.67 -1.12 117.98 129.84 1jkn s PHE 112 Ca 0.14 0.51 0.12 0.00 -0.96 0.00 0.00 56.93 56.74 1jkn s PHE 112 Cb -0.16 -3.80 0.46 0.00 -0.34 0.00 0.00 43.02 39.18 1jkn s PHE 112 CO 0.10 -3.17 1.18 0.25 -1.46 0.00 0.00 175.22 172.13 1jkn n THR 113 N 5.02 2.11 -1.00 0.12 -2.24 0.28 -4.69 114.28 113.87 1jkn n THR 113 Ca 0.15 -3.63 0.00 0.00 -2.27 0.00 0.00 64.05 58.30 1jkn n THR 113 Cb 0.43 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1jkn n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkn n GLY 114 N -0.70 5.54 3.27 3.38 0.00 -1.21 -4.78 105.19 110.69 1jkn n GLY 114 Ca 0.31 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 1jkn n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkn s GLN 115 N 3.50 1.10 0.44 1.61 -0.21 -1.26 -5.00 119.66 119.85 1jkn s GLN 115 Ca 0.00 -1.27 0.15 0.00 0.02 0.00 0.00 55.36 54.25 1jkn s GLN 115 Cb 0.00 -1.08 0.81 0.00 1.00 0.00 0.00 33.01 33.73 1jkn s GLN 115 CO 0.00 0.22 1.37 -0.44 -2.12 0.00 0.00 175.29 174.32 1jkn h ASP 116 N 3.52 0.00 1.54 5.90 3.32 -2.02 0.81 116.42 129.48 1jkn h ASP 116 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1jkn h ASP 116 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1jkn h ASP 116 CO 0.49 0.00 0.00 -0.61 -1.72 0.00 0.00 179.24 177.40 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.15 -2.04 -3.08 115.11 117.70 1jkn h GLN 117 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1jkn h GLN 117 Cb 0.85 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 1jkn h GLN 117 CO 0.00 0.00 -0.60 1.49 -1.93 0.00 0.00 178.83 177.79 1jkn h GLU 118 N 0.00 0.00 -6.05 1.69 4.57 0.27 -3.42 114.58 111.65 1jkn h GLU 118 Ca 0.00 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.69 1jkn h GLU 118 Cb 0.77 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 1jkn h GLU 118 CO 0.00 0.60 1.23 0.42 -1.18 0.00 0.00 179.01 180.08 1jkn s ILE 119 N -2.97 3.47 -0.49 2.32 1.01 -1.17 -3.80 121.20 119.57 1jkn s ILE 119 Ca 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1jkn s ILE 119 Cb 0.08 -4.21 0.13 0.00 0.01 0.00 0.00 42.46 38.47 1jkn s ILE 119 CO 0.76 -1.17 0.28 0.21 0.00 0.00 0.00 174.94 175.02 1jkn s ASN 120 N 6.98 5.14 0.65 3.58 2.47 0.39 -4.94 114.94 129.22 1jkn s ASN 120 Ca 0.59 -2.42 0.36 0.00 0.42 0.00 0.00 52.86 51.81 1jkn s ASN 120 Cb -0.11 -1.81 1.95 0.00 -1.45 0.00 0.00 41.25 39.84 1jkn s ASN 120 CO 0.16 -0.45 2.13 -0.07 -3.72 0.00 0.00 177.10 175.16 1jkn h LEU 121 N 7.53 0.00 0.67 3.21 3.38 -1.77 -2.12 115.31 126.22 1jkn h LEU 121 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1jkn h LEU 121 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1jkn h LEU 121 CO 0.69 0.00 -0.34 -0.07 0.09 0.00 0.00 178.44 178.81 1jkn h LEU 122 N 0.00 -0.81 0.00 1.67 -0.00 -1.83 -3.32 115.31 111.02 1jkn h LEU 122 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1jkn h LEU 122 Cb 0.38 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1jkn h LEU 122 CO -0.00 -0.57 0.00 0.61 -0.00 0.00 0.00 178.44 178.48 1jkn n GLY 123 N -1.49 0.94 1.92 0.83 0.00 -0.81 -3.08 105.19 103.50 1jkn n GLY 123 Ca -0.14 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 43.71 1jkn n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkn n ASP 124 N 2.53 6.22 -1.87 1.61 5.75 -1.09 -4.67 116.55 125.02 1jkn n ASP 124 Ca 0.00 -3.13 -0.17 0.00 -0.01 0.00 0.00 54.79 51.48 1jkn n ASP 124 Cb 0.00 -1.00 -0.01 0.00 -1.03 0.00 0.00 41.12 39.08 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkn n GLY 125 N 0.10 -0.21 0.62 6.12 0.00 -1.26 -4.89 105.19 105.67 1jkn n GLY 125 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1jkn n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jkn n SER 126 N -1.17 0.76 -4.80 1.61 2.88 -1.26 -5.09 113.62 106.55 1jkn n SER 126 Ca -0.20 0.11 -0.22 0.00 -1.33 0.00 0.00 58.87 57.24 1jkn n SER 126 Cb 0.65 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.70 1jkn n SER 126 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1jkn s GLU 127 N -1.71 2.58 0.45 -1.46 1.03 -1.26 -5.10 118.70 113.21 1jkn s GLU 127 Ca -0.06 -1.40 -0.23 0.00 0.03 0.00 0.00 54.97 53.30 1jkn s GLU 127 Cb 0.01 -2.35 -0.08 0.00 -0.80 0.00 0.00 34.13 30.91 1jkn s GLU 127 CO 0.09 0.10 1.16 -1.59 -1.33 0.00 0.00 175.26 173.69 1jkn s LYS 128 N -3.93 3.81 0.36 -4.83 -2.85 -1.26 -4.64 119.74 106.39 1jkn s LYS 128 Ca 0.40 1.78 -0.27 0.00 -1.00 0.00 0.00 55.97 56.87 1jkn s LYS 128 Cb -0.04 -2.45 -0.12 0.00 -2.06 0.00 0.00 37.83 33.16 1jkn s LYS 128 CO 0.25 -0.51 1.22 -2.30 0.10 0.00 0.00 175.35 174.11 1jkn n PRO 129 N -0.40 1.91 -0.04 1.78 -0.02 -1.18 -4.93 135.00 132.13 1jkn n PRO 129 Ca 0.07 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.20 1jkn n PRO 129 Cb 0.48 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 1jkn n PRO 129 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jkn n GLU 130 N 0.43 1.89 -4.43 -0.52 -0.58 -1.25 -5.00 120.64 111.18 1jkn n GLU 130 Ca 0.06 -0.03 -0.24 0.00 -0.42 0.00 0.00 57.16 56.53 1jkn n GLU 130 Cb 0.36 -1.24 -0.10 0.00 -0.57 0.00 0.00 31.44 29.90 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1jkn s PHE 131 N -2.36 2.36 -0.03 -0.32 0.08 -1.26 -2.38 117.98 114.07 1jkn s PHE 131 Ca -0.04 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1jkn s PHE 131 Cb 0.04 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1jkn s PHE 131 CO 0.40 0.68 0.05 0.41 -0.10 0.00 0.00 175.22 176.66 1jkn n GLY 132 N -0.58 0.26 3.60 4.36 0.00 -1.14 -4.65 105.19 107.05 1jkn n GLY 132 Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 1jkn n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkn s GLU 133 N -1.76 1.79 0.04 1.61 8.01 -1.26 -5.01 118.70 122.13 1jkn s GLU 133 Ca -0.00 -1.44 -0.27 0.00 0.01 0.00 0.00 54.97 53.27 1jkn s GLU 133 Cb 0.01 0.49 0.07 0.00 -4.31 0.00 0.00 34.13 30.39 1jkn s GLU 133 CO 0.07 -0.77 0.63 1.67 0.01 0.00 0.00 175.26 176.87 1jkn s TRP 134 N -3.41 -0.59 0.11 1.61 1.48 -1.26 -0.14 118.94 116.75 1jkn s TRP 134 Ca 0.24 0.76 -0.14 0.00 -1.06 0.00 0.00 56.10 55.90 1jkn s TRP 134 Cb -0.02 0.46 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 1jkn s TRP 134 CO 0.13 -0.70 0.34 0.45 -4.06 0.00 0.00 176.95 173.11 1jkn s SER 135 N -1.85 -0.13 -0.19 -2.66 0.15 0.29 -4.96 113.70 104.35 1jkn s SER 135 Ca -0.06 -0.40 -0.16 0.00 0.70 0.00 0.00 55.95 56.03 1jkn s SER 135 Cb -0.00 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1jkn s SER 135 CO 0.00 -0.80 0.42 0.26 1.20 0.00 0.00 173.24 174.32 1jkn s TRP 136 N -3.73 3.39 0.03 3.44 0.52 -1.26 -1.05 118.94 120.28 1jkn s TRP 136 Ca 0.03 0.67 0.01 0.00 0.02 0.00 0.00 56.10 56.83 1jkn s TRP 136 Cb 0.03 -2.55 -0.02 0.00 -1.15 0.00 0.00 33.47 29.78 1jkn s TRP 136 CO -0.11 0.00 -0.04 0.14 0.02 0.00 0.00 176.95 176.96 1jkn s VAL 137 N 1.25 0.25 0.79 4.03 -7.23 -1.14 -4.87 120.40 113.48 1jkn s VAL 137 Ca 0.21 -1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1jkn s VAL 137 Cb -0.15 -0.50 0.07 0.00 0.56 0.00 0.00 36.38 36.35 1jkn s VAL 137 CO 0.08 -0.52 1.09 0.42 -0.31 0.00 0.00 175.10 175.86 1jkn s THR 138 N -1.72 3.21 0.39 5.32 -4.23 -1.26 0.97 115.64 118.33 1jkn s THR 138 Ca -0.12 0.39 0.31 0.00 -1.18 0.00 0.00 61.69 61.10 1jkn s THR 138 Cb -0.08 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.22 1jkn s THR 138 CO -0.02 -0.51 1.95 1.55 -0.54 0.00 0.00 174.62 177.05 1jkn h PRO 139 N -1.20 0.00 0.04 3.99 0.13 -1.95 0.14 132.00 133.16 1jkn h PRO 139 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 1jkn h PRO 139 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1jkn h PRO 139 CO 0.51 0.00 -1.96 0.39 -0.23 0.00 0.00 178.00 176.71 1jkn n GLU 140 N -2.71 0.68 -0.01 0.86 1.02 -1.26 -3.57 120.64 115.65 1jkn n GLU 140 Ca -0.02 0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 57.22 1jkn n GLU 140 Cb 0.19 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jkn h GLN 141 N 0.02 -0.01 -0.63 3.49 1.08 -1.21 -2.48 115.11 115.36 1jkn h GLN 141 Ca -0.39 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 56.96 1jkn h GLN 141 Cb 2.04 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.44 1jkn h GLN 141 CO 0.06 0.52 0.44 1.25 -0.95 0.00 0.00 178.83 180.15 1jkn h LEU 142 N -0.56 0.17 -1.13 1.46 5.85 -1.03 1.01 115.31 121.09 1jkn h LEU 142 Ca -0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1jkn h LEU 142 Cb 0.54 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1jkn h LEU 142 CO 0.00 0.09 -0.38 0.40 -0.34 0.00 0.00 178.44 178.21 1jkn h ILE 143 N 0.18 1.06 0.00 4.05 1.08 -1.57 -0.11 117.51 122.19 1jkn h ILE 143 Ca 0.31 -1.43 -0.07 0.00 -0.39 0.00 0.00 64.86 63.28 1jkn h ILE 143 Cb 0.95 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.51 1jkn h ILE 143 CO -0.05 0.38 -0.35 -0.78 -0.69 0.00 0.00 178.15 176.65 1jkn h ASP 144 N 0.00 0.00 0.25 1.72 3.58 0.15 -3.25 116.42 118.87 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.10 1jkn h ASP 144 Cb 0.79 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.87 1jkn h ASP 144 CO 0.05 0.35 -1.56 -0.07 -2.88 0.00 0.00 179.24 175.13 1jkn h LEU 145 N 0.00 0.77 -9.93 2.28 3.38 -0.55 -3.47 115.31 107.79 1jkn h LEU 145 Ca -0.00 -0.91 -0.48 0.00 0.09 0.00 0.00 57.88 56.58 1jkn h LEU 145 Cb 1.26 -0.25 0.22 0.00 0.09 0.00 0.00 40.66 41.97 1jkn h LEU 145 CO 0.05 1.73 -0.43 0.41 0.09 0.00 0.00 178.44 180.29 1jkn n THR 146 N -3.67 0.00 -3.45 0.22 -1.04 -0.11 -4.47 114.28 101.76 1jkn n THR 146 Ca -0.19 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.05 61.34 1jkn n THR 146 Cb 1.10 -0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 68.81 1jkn n THR 146 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1jkn s VAL 147 N -2.40 4.88 0.55 12.58 0.11 -1.26 -4.90 120.40 129.95 1jkn s VAL 147 Ca 0.62 -0.62 0.24 0.00 -2.93 0.00 0.00 61.98 59.29 1jkn s VAL 147 Cb -0.20 -3.76 0.31 0.00 -1.53 0.00 0.00 36.38 31.20 1jkn s VAL 147 CO 0.65 -0.44 2.20 -0.33 -3.33 0.00 0.00 175.10 173.84 1jkn h GLU 148 N 0.79 0.00 -0.41 1.54 3.07 -1.95 0.85 114.58 118.47 1jkn h GLU 148 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1jkn h GLU 148 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1jkn h GLU 148 CO 0.60 0.02 0.00 1.97 -1.40 0.00 0.00 179.01 180.20 1jkn n PHE 149 N -4.08 0.55 -1.70 4.33 1.16 -1.26 -3.98 117.46 112.48 1jkn n PHE 149 Ca -0.03 -0.27 0.00 0.00 -1.87 0.00 0.00 57.45 55.28 1jkn n PHE 149 Cb 0.10 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.97 1jkn n PHE 149 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1jkn n LYS 150 N 0.69 0.00 0.20 3.97 5.02 -0.49 -4.37 118.16 123.18 1jkn n LYS 150 Ca 0.14 -0.35 -0.08 0.00 -2.02 0.00 0.00 58.31 56.00 1jkn n LYS 150 Cb 0.35 -0.25 -0.04 0.00 -0.02 0.00 0.00 35.03 35.07 1jkn n LYS 150 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1jkn h LYS 151 N 0.00 -0.52 -1.01 1.97 1.57 -1.01 -3.10 116.57 114.47 1jkn h LYS 151 Ca 0.00 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.00 1jkn h LYS 151 Cb 1.08 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.40 1jkn h LYS 151 CO 0.00 -0.35 0.61 -1.00 -0.57 0.00 0.00 179.45 178.15 1jkn h PRO 152 N -0.87 0.76 -0.06 3.15 0.13 -1.87 0.40 132.00 133.64 1jkn h PRO 152 Ca -0.06 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1jkn h PRO 152 Cb 0.41 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.37 1jkn h PRO 152 CO 0.09 0.51 0.08 0.28 -0.23 0.00 0.00 178.00 178.72 1jkn h VAL 153 N 0.79 0.47 0.00 1.56 2.07 -1.85 -0.66 116.25 118.63 1jkn h VAL 153 Ca 0.57 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.87 1jkn h VAL 153 Cb 0.86 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1jkn h VAL 153 CO -0.37 0.00 -1.31 -1.22 0.02 0.00 0.00 177.57 174.68 1jkn n TYR 154 N -3.78 0.87 -0.27 1.57 4.02 0.12 -3.79 117.16 115.91 1jkn n TYR 154 Ca -0.01 0.38 0.24 0.00 -0.01 0.00 0.00 57.90 58.49 1jkn n TYR 154 Cb 0.17 -1.04 0.58 0.00 -0.02 0.00 0.00 39.34 39.03 1jkn n TYR 154 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1jkn h LYS 155 N -1.00 0.27 -0.28 -0.72 1.57 -0.67 0.37 116.57 116.11 1jkn h LYS 155 Ca -0.34 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 1jkn h LYS 155 Cb 1.23 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1jkn h LYS 155 CO -0.21 0.18 0.06 1.49 -0.57 0.00 0.00 179.45 180.40 1jkn h GLU 156 N 0.28 0.45 -0.19 3.15 4.57 -1.29 0.69 114.58 122.24 1jkn h GLU 156 Ca 0.52 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.59 1jkn h GLU 156 Cb 1.52 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 1jkn h GLU 156 CO -0.17 0.55 0.10 0.28 -1.18 0.00 0.00 179.01 178.59 1jkn h VAL 157 N 0.28 1.01 -0.10 0.32 2.07 -0.44 0.21 116.25 119.59 1jkn h VAL 157 Ca 0.09 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1jkn h VAL 157 Cb 0.31 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1jkn h VAL 157 CO 0.00 0.04 0.03 -0.07 0.02 0.00 0.00 177.57 177.59 1jkn h LEU 158 N 0.21 0.15 -0.65 2.57 3.38 -1.02 -2.03 115.31 117.91 1jkn h LEU 158 Ca 0.07 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 57.97 1jkn h LEU 158 Cb 0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.61 1jkn h LEU 158 CO -0.05 0.32 0.06 0.28 0.09 0.00 0.00 178.44 179.14 1jkn h SER 159 N -0.03 -0.18 0.54 -0.43 0.02 0.70 1.71 113.55 115.88 1jkn h SER 159 Ca 0.03 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1jkn h SER 159 Cb 0.23 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1jkn h SER 159 CO -0.00 -0.09 -0.14 0.58 -1.14 0.00 0.00 176.83 176.04 1jkn h VAL 160 N 0.17 0.53 -0.03 2.27 2.07 -0.79 -2.31 116.25 118.16 1jkn h VAL 160 Ca 0.35 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1jkn h VAL 160 Cb 0.58 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1jkn h VAL 160 CO -0.52 0.14 -0.07 0.49 0.02 0.00 0.00 177.57 177.63 1jkn n PHE 161 N -3.53 0.00 -0.24 1.57 3.72 0.22 -4.58 117.46 114.62 1jkn n PHE 161 Ca -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 1jkn n PHE 161 Cb 0.29 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.88 1jkn n PHE 161 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jkn h ALA 162 N 4.29 0.25 -0.12 4.37 0.00 0.28 0.64 119.26 128.98 1jkn h ALA 162 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1jkn h ALA 162 Cb 0.90 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1jkn h ALA 162 CO 0.00 -0.53 0.24 -1.00 0.00 0.00 0.00 179.25 177.96 1jkn h PRO 163 N -0.07 0.00 0.00 0.00 0.13 -1.81 0.20 132.00 130.45 1jkn h PRO 163 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1jkn h PRO 163 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1jkn h PRO 163 CO -0.73 0.00 -1.31 0.72 -0.23 0.00 0.00 178.00 176.44 1jkn n HIS 164 N -3.37 0.61 -0.40 1.56 8.25 0.21 -5.23 115.22 116.86 1jkn n HIS 164 Ca 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1jkn n HIS 164 Cb 0.34 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.67 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26