#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkn s PRO 2 N 0.00 3.90 -0.31 1.61 0.04 -1.26 -5.02 135.00 133.96 1jkn s PRO 2 Ca 0.00 1.80 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 1jkn s PRO 2 Cb 0.00 -2.53 0.19 0.00 0.04 0.00 0.00 34.50 32.20 1jkn s PRO 2 CO 0.00 -0.44 1.05 -0.51 0.04 0.00 0.00 177.00 177.14 1jkn s LEU 3 N -2.78 -0.35 0.00 -3.56 1.43 -1.26 -5.04 118.68 107.12 1jkn s LEU 3 Ca 0.60 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1jkn s LEU 3 Cb -0.29 0.76 0.09 0.00 0.03 0.00 0.00 46.19 46.77 1jkn s LEU 3 CO 0.36 -0.05 0.91 0.61 0.23 0.00 0.00 176.35 178.41 1jkn n GLY 4 N 4.27 0.73 3.46 -3.19 0.00 -1.26 -4.43 105.19 104.77 1jkn n GLY 4 Ca 0.07 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1jkn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jkn s SER 5 N -0.95 -0.40 0.00 1.61 1.04 -1.23 -4.64 113.70 109.13 1jkn s SER 5 Ca 0.07 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1jkn s SER 5 Cb 0.08 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.55 1jkn s SER 5 CO -0.03 -0.09 0.00 0.80 0.98 0.00 0.00 173.24 174.90 1jkn n MET 6 N 4.30 1.21 -1.52 4.02 1.56 -1.03 -4.95 117.12 120.71 1jkn n MET 6 Ca -0.12 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.20 1jkn n MET 6 Cb 0.55 -0.69 -0.04 0.00 2.15 0.00 0.00 33.22 35.20 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1jkn n ASP 7 N -1.21 -4.15 0.00 6.12 9.92 -1.26 -4.89 116.55 121.08 1jkn n ASP 7 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1jkn n ASP 7 Cb 0.19 -2.79 0.00 0.00 -0.64 0.00 0.00 41.12 37.87 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jkn n SER 8 N 0.16 0.00 -4.63 -2.24 7.64 -1.26 -4.90 113.62 108.39 1jkn n SER 8 Ca -0.11 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.34 1jkn n SER 8 Cb 0.41 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.05 3.83 0.24 1.43 0.04 -1.26 -4.87 135.00 133.36 1jkn s PRO 9 Ca 0.00 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 1jkn s PRO 9 Cb 0.00 -3.99 0.06 0.00 0.04 0.00 0.00 34.50 30.61 1jkn s PRO 9 CO 0.00 -1.25 0.24 -2.30 0.04 0.00 0.00 177.00 173.73 1jkn n PRO 10 N 7.57 -1.15 -3.34 0.56 -0.02 -1.26 -5.03 135.00 132.32 1jkn n PRO 10 Ca 0.18 -0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 60.91 1jkn n PRO 10 Cb 0.46 -0.32 -0.06 0.00 -0.02 0.00 0.00 33.50 33.55 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 -3.54 4.04 0.00 -0.52 2.02 -1.26 -4.19 118.70 115.26 1jkn s GLU 11 Ca 0.15 0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.70 1jkn s GLU 11 Cb -0.01 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1jkn s GLU 11 CO 0.11 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.35 1jkn n GLY 12 N 1.17 2.48 3.74 -1.39 0.00 -1.26 -5.01 105.19 104.92 1jkn n GLY 12 Ca -0.08 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.02 3.69 0.35 1.61 2.02 -1.26 -4.01 117.35 118.72 1jkn s TYR 13 Ca 0.00 1.68 -0.11 0.00 -0.37 0.00 0.00 57.07 58.27 1jkn s TYR 13 Cb 0.00 -3.19 -0.07 0.00 -0.40 0.00 0.00 41.96 38.30 1jkn s TYR 13 CO 0.00 -0.29 0.71 0.50 -1.57 0.00 0.00 175.55 174.90 1jkn s ARG 14 N -0.35 3.84 0.18 -0.62 3.00 -1.17 -4.67 118.95 119.15 1jkn s ARG 14 Ca 0.48 0.47 -0.31 0.00 -1.00 0.00 0.00 55.73 55.37 1jkn s ARG 14 Cb -0.27 -2.46 -0.09 0.00 0.00 0.00 0.00 34.95 32.13 1jkn s ARG 14 CO 0.33 0.09 1.42 1.03 0.00 0.00 0.00 175.30 178.18 1jkn s ARG 15 N -3.41 4.30 -0.01 5.12 1.81 -1.26 -2.75 118.95 122.74 1jkn s ARG 15 Ca 0.51 2.19 -0.20 0.00 -1.72 0.00 0.00 55.73 56.52 1jkn s ARG 15 Cb -0.10 -3.18 0.04 0.00 -0.45 0.00 0.00 34.95 31.25 1jkn s ARG 15 CO 0.25 -0.43 0.42 1.21 -0.68 0.00 0.00 175.30 176.08 1jkn s ASN 16 N 0.77 -0.33 -0.08 0.23 2.47 -1.23 -2.61 114.94 114.15 1jkn s ASN 16 Ca 0.63 0.22 0.02 0.00 0.42 0.00 0.00 52.86 54.15 1jkn s ASN 16 Cb -0.40 0.39 0.01 0.00 -1.45 0.00 0.00 41.25 39.81 1jkn s ASN 16 CO 0.35 -0.54 -0.12 0.68 -3.72 0.00 0.00 177.10 173.75 1jkn s VAL 17 N -1.56 1.19 0.27 -5.21 -7.23 0.19 -3.07 120.40 104.98 1jkn s VAL 17 Ca -0.11 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.64 1jkn s VAL 17 Cb -0.03 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 1jkn s VAL 17 CO 0.04 0.37 0.37 -0.83 -0.31 0.00 0.00 175.10 174.74 1jkn s GLY 18 N 0.87 1.37 -0.31 2.32 0.00 -1.25 -0.46 107.32 109.86 1jkn s GLY 18 Ca -0.10 -1.34 0.01 0.00 0.00 0.00 0.00 44.72 43.28 1jkn s GLY 18 CO 0.01 -1.33 0.06 -0.42 0.00 0.00 0.00 173.10 171.42 1jkn s ILE 19 N -2.07 1.46 -0.81 0.90 -1.09 -0.68 -2.74 121.20 116.16 1jkn s ILE 19 Ca 0.37 -1.70 -0.19 0.00 -2.23 0.00 0.00 60.65 56.91 1jkn s ILE 19 Cb -0.09 -2.04 0.13 0.00 -1.58 0.00 0.00 42.46 38.88 1jkn s ILE 19 CO 0.29 -0.56 0.99 0.00 -1.23 0.00 0.00 174.94 174.43 1jkn s LEU 21 N 2.66 4.12 0.13 0.00 2.96 -1.26 0.17 118.68 127.46 1jkn s LEU 21 Ca 0.26 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 1jkn s LEU 21 Cb -0.11 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1jkn s LEU 21 CO -0.03 0.20 -0.11 0.00 -1.32 0.00 0.00 176.35 175.08 1jkn s MET 22 N -2.28 1.02 0.44 1.98 0.23 0.34 0.14 119.30 121.18 1jkn s MET 22 Ca 0.30 -1.34 0.08 0.00 -1.03 0.00 0.00 55.69 53.71 1jkn s MET 22 Cb -0.13 -0.71 0.02 0.00 -1.53 0.00 0.00 34.83 32.49 1jkn s MET 22 CO 0.23 0.11 0.59 0.54 -2.03 0.00 0.00 175.02 174.45 1jkn s ASN 23 N -2.83 5.54 0.55 -1.18 4.22 -0.81 -1.81 114.94 118.62 1jkn s ASN 23 Ca 0.12 -0.51 0.29 0.00 -2.14 0.00 0.00 52.86 50.63 1jkn s ASN 23 Cb -0.01 -0.52 1.57 0.00 1.28 0.00 0.00 41.25 43.57 1jkn s ASN 23 CO 0.01 -0.84 1.86 0.78 -2.04 0.00 0.00 177.10 176.88 1jkn h ASN 24 N 0.60 0.00 -0.03 3.54 2.35 -1.92 0.59 115.58 120.71 1jkn h ASN 24 Ca -0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1jkn h ASN 24 CO 0.45 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.70 1jkn n ASP 25 N -2.68 1.36 -0.37 5.81 8.00 -1.26 -4.91 116.55 122.51 1jkn n ASP 25 Ca -0.02 -1.48 -0.04 0.00 0.71 0.00 0.00 54.79 53.97 1jkn n ASP 25 Cb 0.25 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 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 0.07 -0.29 -2.63 -1.24 5.02 0.21 -5.05 118.16 114.26 1jkn n LYS 26 Ca 0.19 0.40 -0.22 0.00 -2.02 0.00 0.00 58.31 56.66 1jkn n LYS 26 Cb 0.33 -4.09 0.06 0.00 -0.02 0.00 0.00 35.03 31.31 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 -3.29 2.21 -0.26 1.97 1.02 -1.25 -4.81 119.74 115.33 1jkn s LYS 27 Ca 0.00 -0.94 -0.05 0.00 0.02 0.00 0.00 55.97 55.00 1jkn s LYS 27 Cb 0.00 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.88 1jkn s LYS 27 CO 0.00 -1.00 0.02 0.42 -0.92 0.00 0.00 175.35 173.87 1jkn s ILE 28 N -2.91 3.61 -0.44 2.17 1.09 0.29 -1.92 121.20 123.10 1jkn s ILE 28 Ca 0.61 -0.67 -0.34 0.00 -1.10 0.00 0.00 60.65 59.15 1jkn s ILE 28 Cb -0.08 -2.79 -0.12 0.00 -1.06 0.00 0.00 42.46 38.41 1jkn s ILE 28 CO 0.41 0.21 2.28 0.33 -0.10 0.00 0.00 174.94 178.07 1jkn n PHE 29 N 4.81 1.46 -4.87 3.97 7.35 0.38 -3.15 117.46 127.40 1jkn n PHE 29 Ca -0.16 0.27 -0.31 0.00 -0.76 0.00 0.00 57.45 56.49 1jkn n PHE 29 Cb 0.49 -2.53 -0.14 0.00 0.35 0.00 0.00 39.48 37.66 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 8.15 2.51 -0.01 3.13 0.00 -0.72 -4.66 121.76 130.15 1jkn s ALA 30 Ca 1.11 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1jkn s ALA 30 Cb -0.82 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1jkn s ALA 30 CO 0.46 0.56 -0.15 0.00 0.00 0.00 0.00 175.76 176.63 1jkn s ALA 31 N -0.80 1.27 0.53 0.00 0.00 0.37 0.01 121.76 123.14 1jkn s ALA 31 Ca 0.13 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1jkn s ALA 31 Cb -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1jkn s ALA 31 CO 0.02 0.31 0.93 -1.54 0.00 0.00 0.00 175.76 175.48 1jkn s SER 32 N -0.37 6.38 0.69 0.00 1.04 0.16 -0.59 113.70 121.02 1jkn s SER 32 Ca 0.06 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.69 1jkn s SER 32 Cb -0.06 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.66 1jkn s SER 32 CO -0.01 -0.66 1.06 -0.13 0.98 0.00 0.00 173.24 174.48 1jkn s ARG 33 N -4.60 2.89 0.00 4.02 0.52 0.41 -2.74 118.95 119.45 1jkn s ARG 33 Ca 0.54 1.01 0.25 0.00 -0.52 0.00 0.00 55.73 57.01 1jkn s ARG 33 Cb -0.10 -1.98 0.39 0.00 0.52 0.00 0.00 34.95 33.77 1jkn s ARG 33 CO 0.43 -1.14 1.34 1.28 0.02 0.00 0.00 175.30 177.23 1jkn n LEU 34 N -3.05 1.42 0.00 2.53 4.77 -1.12 -4.10 117.00 117.44 1jkn n LEU 34 Ca 0.08 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1jkn n LEU 34 Cb 0.53 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1jkn n LEU 34 CO 0.54 0.27 -0.23 -0.67 -1.33 0.00 0.00 177.39 175.97 1jkn n ASP 35 N -0.46 2.29 -4.04 -1.43 -0.08 -1.26 -4.98 116.55 106.60 1jkn n ASP 35 Ca 0.10 -0.08 -0.31 0.00 -1.51 0.00 0.00 54.79 52.99 1jkn n ASP 35 Cb 0.40 0.61 -0.15 0.00 2.34 0.00 0.00 41.12 44.31 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1jkn s ILE 36 N -1.07 1.91 0.19 5.18 1.01 -1.26 -5.10 121.20 122.06 1jkn s ILE 36 Ca 0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 60.65 59.04 1jkn s ILE 36 Cb 0.00 -1.99 -0.10 0.00 0.01 0.00 0.00 42.46 40.38 1jkn s ILE 36 CO 0.00 0.09 1.49 -2.16 0.00 0.00 0.00 174.94 174.36 1jkn s PRO 37 N 1.26 4.25 0.00 2.79 0.04 -1.26 -1.92 135.00 140.16 1jkn s PRO 37 Ca -0.04 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.30 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 -0.51 0.00 -3.47 0.04 0.00 0.00 177.00 172.99 1jkn n ASP 38 N 3.30 -1.56 -4.45 6.66 -0.08 -1.26 -4.96 116.55 114.20 1jkn n ASP 38 Ca 0.11 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.95 1jkn n ASP 38 Cb 0.40 -0.66 -0.04 0.00 2.34 0.00 0.00 41.12 43.16 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jkn s ALA 39 N -2.76 3.20 0.17 -1.67 0.00 -0.81 -4.97 121.76 114.92 1jkn s ALA 39 Ca 0.00 -2.11 0.04 0.00 0.00 0.00 0.00 51.96 49.89 1jkn s ALA 39 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1jkn s ALA 39 CO 0.00 -2.79 0.24 -1.58 0.00 0.00 0.00 175.76 171.62 1jkn s TRP 40 N 3.61 3.34 0.13 0.00 0.52 -1.26 0.15 118.94 125.43 1jkn s TRP 40 Ca 0.24 0.04 -0.15 0.00 0.02 0.00 0.00 56.10 56.24 1jkn s TRP 40 Cb -0.15 -1.58 0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1jkn s TRP 40 CO 0.05 0.51 0.73 0.00 0.02 0.00 0.00 176.95 178.26 1jkn n GLN 41 N -0.63 0.45 -4.13 4.98 -0.00 0.25 -4.40 117.38 113.90 1jkn n GLN 41 Ca -0.08 -1.03 -0.25 0.00 -0.00 0.00 0.00 57.00 55.64 1jkn n GLN 41 Cb 0.55 1.41 -0.06 0.00 -0.00 0.00 0.00 30.24 32.14 1jkn n GLN 41 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1jkn s MET 42 N -2.04 2.79 0.31 2.61 -1.94 -1.26 -0.48 119.30 119.29 1jkn s MET 42 Ca 0.16 -1.00 -0.27 0.00 -1.71 0.00 0.00 55.69 52.87 1jkn s MET 42 Cb -0.02 -2.54 -0.14 0.00 2.01 0.00 0.00 34.83 34.14 1jkn s MET 42 CO 0.04 0.44 0.92 -2.30 -0.01 0.00 0.00 175.02 174.11 1jkn n PRO 43 N -0.61 1.15 -3.88 2.03 -0.02 -1.25 -4.86 135.00 127.57 1jkn n PRO 43 Ca -0.08 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1jkn n PRO 43 Cb 0.56 -1.75 -0.13 0.00 -0.02 0.00 0.00 33.50 32.16 1jkn n PRO 43 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1jkn s GLN 44 N -1.55 0.16 -0.23 -0.52 -1.52 -1.26 -1.69 119.66 113.04 1jkn s GLN 44 Ca 0.60 -0.10 -0.07 0.00 -1.95 0.00 0.00 55.36 53.84 1jkn s GLN 44 Cb -0.70 0.07 0.11 0.00 -0.22 0.00 0.00 33.01 32.26 1jkn s GLN 44 CO 0.59 -0.03 0.47 0.20 -0.25 0.00 0.00 175.29 176.27 1jkn s GLY 45 N -0.40 -0.46 -0.05 3.09 0.00 0.39 -4.95 107.32 104.95 1jkn s GLY 45 Ca -0.05 1.63 -0.30 0.00 0.00 0.00 0.00 44.72 46.01 1jkn s GLY 45 CO 0.00 2.60 1.61 -0.32 0.00 0.00 0.00 173.10 176.99 1jkn s GLY 46 N 2.67 1.57 0.95 0.20 0.00 -1.26 0.54 107.32 112.00 1jkn s GLY 46 Ca -0.00 0.93 -0.12 0.00 0.00 0.00 0.00 44.72 45.52 1jkn s GLY 46 CO -0.15 2.95 0.54 1.39 0.00 0.00 0.00 173.10 177.83 1jkn n ILE 47 N 5.34 0.00 -2.30 0.90 5.41 -1.07 -4.87 119.36 122.77 1jkn n ILE 47 Ca 0.17 -0.16 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 1jkn n ILE 47 Cb 0.43 -0.69 0.08 0.00 -0.71 0.00 0.00 39.64 38.75 1jkn n ILE 47 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1jkn n ASP 48 N -1.92 0.69 -4.55 4.38 9.92 -1.26 -4.88 116.55 118.92 1jkn n ASP 48 Ca 0.07 -1.63 -0.39 0.00 -0.53 0.00 0.00 54.79 52.31 1jkn n ASP 48 Cb 0.54 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 1jkn n ASP 48 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1jkn s GLU 49 N -4.21 2.90 -0.42 -1.24 1.03 -1.26 -3.23 118.70 112.26 1jkn s GLU 49 Ca 0.42 0.18 -0.00 0.00 0.03 0.00 0.00 54.97 55.60 1jkn s GLU 49 Cb -0.02 -4.32 0.00 0.00 -0.80 0.00 0.00 34.13 28.99 1jkn s GLU 49 CO 0.28 -2.47 0.35 0.41 -1.33 0.00 0.00 175.26 172.51 1jkn n GLY 50 N 5.59 0.20 3.46 -3.83 0.00 -1.26 -5.05 105.19 104.30 1jkn n GLY 50 Ca 0.13 -0.29 -0.30 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 -4.59 2.02 0.25 1.61 2.56 -1.20 -5.11 118.70 114.26 1jkn s GLU 51 Ca 0.02 -1.01 -0.30 0.00 0.00 0.00 0.00 54.97 53.68 1jkn s GLU 51 Cb -0.01 -2.18 -0.10 0.00 2.00 0.00 0.00 34.13 33.84 1jkn s GLU 51 CO 0.25 0.53 1.36 -0.51 -0.56 0.00 0.00 175.26 176.34 1jkn s ASP 52 N -1.57 6.76 0.06 -1.70 1.01 -1.26 -4.75 116.67 115.23 1jkn s ASP 52 Ca 0.15 2.59 -0.34 0.00 0.71 0.00 0.00 52.55 55.66 1jkn s ASP 52 Cb -0.11 -2.63 -0.19 0.00 1.01 0.00 0.00 42.92 41.01 1jkn s ASP 52 CO 0.06 -0.60 1.51 -0.65 0.21 0.00 0.00 175.17 175.71 1jkn h PRO 53 N 4.71 -1.17 -0.17 8.23 0.11 -1.98 0.38 132.00 142.12 1jkn h PRO 53 Ca -0.46 0.08 0.05 0.00 0.11 0.00 0.00 66.00 65.77 1jkn h PRO 53 Cb 1.22 0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.59 1jkn h PRO 53 CO 0.74 -0.78 0.28 -0.09 -0.21 0.00 0.00 178.00 177.95 1jkn h ARG 54 N -1.21 0.00 0.14 1.05 2.43 -1.93 -0.25 114.38 114.61 1jkn h ARG 54 Ca -0.12 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.72 1jkn h ARG 54 Cb 0.94 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1jkn h ARG 54 CO 0.19 0.00 -1.70 -0.91 -1.51 0.00 0.00 179.97 176.03 1jkn h ASN 55 N 0.00 0.47 -0.11 -3.80 2.35 -1.86 -2.97 115.58 109.65 1jkn h ASN 55 Ca 0.08 -0.90 -0.03 0.00 -0.55 0.00 0.00 56.30 54.90 1jkn h ASN 55 Cb 0.64 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1jkn h ASN 55 CO -0.00 1.75 0.01 0.00 -1.65 0.00 0.00 177.43 177.54 1jkn h ALA 56 N 0.03 1.64 0.14 -0.83 0.00 0.12 0.26 119.26 120.62 1jkn h ALA 56 Ca -0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1jkn h ALA 56 Cb 1.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1jkn h ALA 56 CO 0.11 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.56 1jkn h ALA 57 N 1.73 -0.18 -0.49 0.00 0.00 -1.23 0.90 119.26 119.99 1jkn h ALA 57 Ca 0.07 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1jkn h ALA 57 Cb 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jkn h ALA 57 CO 0.00 -0.28 0.35 0.82 0.00 0.00 0.00 179.25 180.14 1jkn h ILE 58 N -0.84 0.77 0.00 0.00 2.04 -1.34 0.62 117.51 118.76 1jkn h ILE 58 Ca -0.02 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1jkn h ILE 58 Cb 0.54 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1jkn h ILE 58 CO 0.03 0.01 -0.22 -0.09 0.00 0.00 0.00 178.15 177.88 1jkn h ARG 59 N 0.04 0.00 -0.81 2.37 2.43 -0.90 -3.29 114.38 114.21 1jkn h ARG 59 Ca 0.23 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.52 1jkn h ARG 59 Cb 0.88 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.37 1jkn h ARG 59 CO -0.01 0.72 0.53 0.93 -1.51 0.00 0.00 179.97 180.63 1jkn h GLU 60 N -1.00 0.65 0.69 0.20 4.39 0.16 -1.18 114.58 118.49 1jkn h GLU 60 Ca -0.05 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1jkn h GLU 60 Cb 0.79 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1jkn h GLU 60 CO -0.03 0.43 -0.33 1.25 -1.16 0.00 0.00 179.01 179.17 1jkn h LEU 61 N 0.67 -0.78 -0.85 1.33 5.85 0.08 0.95 115.31 122.56 1jkn h LEU 61 Ca 0.39 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1jkn h LEU 61 Cb 0.58 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1jkn h LEU 61 CO -0.16 -0.54 0.01 -1.14 -0.34 0.00 0.00 178.44 176.28 1jkn n ARG 62 N -4.58 0.08 -0.07 1.25 0.00 -1.09 0.11 116.66 112.36 1jkn n ARG 62 Ca -0.11 0.58 -0.22 0.00 -0.00 0.00 0.00 57.85 58.09 1jkn n ARG 62 Cb 0.36 -1.79 -0.12 0.00 0.00 0.00 0.00 32.46 30.91 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1jkn n GLU 63 N -1.95 0.64 0.00 -0.14 -0.58 -0.46 -2.65 120.64 115.51 1jkn n GLU 63 Ca -0.01 0.39 -0.04 0.00 -0.42 0.00 0.00 57.16 57.08 1jkn n GLU 63 Cb 0.03 -1.68 -0.11 0.00 -0.57 0.00 0.00 31.44 29.11 1jkn n GLU 63 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1jkn n GLU 64 N -3.98 0.63 -0.00 3.49 1.02 0.32 -2.95 120.64 119.17 1jkn n GLU 64 Ca -0.36 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1jkn n GLU 64 Cb 0.86 -1.78 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.94 0.03 -0.25 2.62 -2.24 0.29 -4.34 114.28 107.45 1jkn n THR 65 Ca -0.14 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1jkn n THR 65 Cb 0.94 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 2.25 2.44 3.64 3.38 0.00 -0.18 0.11 105.19 116.83 1jkn n GLY 66 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1jkn n GLY 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jkn n VAL 67 N -2.00 0.65 -0.09 1.61 0.31 -1.25 -4.59 118.33 112.97 1jkn n VAL 67 Ca 0.00 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 63.99 1jkn n VAL 67 Cb 0.00 -2.40 -0.14 0.00 -0.91 0.00 0.00 33.84 30.39 1jkn n VAL 67 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jkn n THR 68 N 6.21 1.27 -2.86 2.52 -2.24 -1.26 -3.44 114.28 114.49 1jkn n THR 68 Ca 0.23 -0.74 -0.44 0.00 -2.27 0.00 0.00 64.05 60.83 1jkn n THR 68 Cb 0.42 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.76 5.24 -3.71 3.42 7.64 -1.26 -4.91 113.62 117.28 1jkn n SER 69 Ca -0.32 -3.01 -0.11 0.00 1.01 0.00 0.00 58.87 56.44 1jkn n SER 69 Cb 1.07 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.62 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 1.11 -0.85 -0.01 -0.43 0.00 -1.26 0.11 121.76 120.43 1jkn s ALA 70 Ca 0.41 1.30 0.08 0.00 0.00 0.00 0.00 51.96 53.75 1jkn s ALA 70 Cb -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1jkn s ALA 70 CO 0.00 -0.23 -0.25 -1.83 0.00 0.00 0.00 175.76 173.44 1jkn s GLU 71 N 1.30 2.09 -0.17 0.00 -1.05 -0.26 -4.84 118.70 115.77 1jkn s GLU 71 Ca -0.09 -0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 53.50 1jkn s GLU 71 Cb -0.09 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.52 1jkn s GLU 71 CO -0.11 0.56 1.58 0.08 0.95 0.00 0.00 175.26 178.32 1jkn s VAL 72 N -0.64 3.74 -0.15 1.83 1.01 -1.25 0.22 120.40 125.16 1jkn s VAL 72 Ca 0.10 0.86 0.18 0.00 0.00 0.00 0.00 61.98 63.13 1jkn s VAL 72 Cb -0.10 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1jkn s VAL 72 CO -0.01 -0.21 0.82 -0.38 0.00 0.00 0.00 175.10 175.32 1jkn n ILE 73 N 6.02 1.00 -3.79 2.22 5.41 0.32 -4.88 119.36 125.67 1jkn n ILE 73 Ca 0.18 -0.66 -0.07 0.00 1.00 0.00 0.00 62.75 63.21 1jkn n ILE 73 Cb 0.44 -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 -3.04 -1.37 -0.16 -1.39 0.00 -1.16 -4.95 121.76 109.69 1jkn s ALA 74 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.76 1jkn s ALA 74 Cb 0.09 0.79 0.08 0.00 0.00 0.00 0.00 23.12 24.08 1jkn s ALA 74 CO 0.81 -1.01 0.32 -1.83 0.00 0.00 0.00 175.76 174.05 1jkn s GLU 75 N -3.74 0.22 0.18 0.00 -1.05 -1.26 0.51 118.70 113.55 1jkn s GLU 75 Ca 0.10 0.80 -0.33 0.00 -0.15 0.00 0.00 54.97 55.39 1jkn s GLU 75 Cb -0.04 -0.01 -0.13 0.00 -0.44 0.00 0.00 34.13 33.51 1jkn s GLU 75 CO 0.04 -0.32 1.64 0.28 0.95 0.00 0.00 175.26 177.85 1jkn n VAL 76 N 5.36 0.01 0.31 1.83 0.31 -0.86 -4.86 118.33 120.43 1jkn n VAL 76 Ca -0.07 -0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.46 1jkn n VAL 76 Cb 0.50 -1.72 0.92 0.00 -0.91 0.00 0.00 33.84 32.63 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 6.33 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 138.57 1jkn h PRO 77 Ca -0.44 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 1jkn h PRO 77 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 1jkn h PRO 77 CO 0.92 0.00 -0.38 2.48 -0.23 0.00 0.00 178.00 180.78 1jkn n TYR 78 N -3.00 0.63 -4.16 1.56 0.18 -1.26 -4.75 117.16 106.36 1jkn n TYR 78 Ca -0.01 -2.05 -0.31 0.00 1.88 0.00 0.00 57.90 57.40 1jkn n TYR 78 Cb 0.18 -0.17 -0.08 0.00 -0.38 0.00 0.00 39.34 38.89 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 -2.59 3.10 -0.25 -3.48 0.52 -1.26 -4.64 118.94 110.34 1jkn s TRP 79 Ca 0.06 0.07 -0.04 0.00 0.02 0.00 0.00 56.10 56.21 1jkn s TRP 79 Cb 0.00 -1.63 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1jkn s TRP 79 CO 0.04 0.49 -0.01 -0.51 0.02 0.00 0.00 176.95 176.98 1jkn s LEU 80 N -1.97 3.20 -0.10 2.99 1.43 0.14 -2.46 118.68 121.92 1jkn s LEU 80 Ca 0.24 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1jkn s LEU 80 Cb -0.12 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1jkn s LEU 80 CO 0.16 -0.08 -0.04 0.42 0.23 0.00 0.00 176.35 177.03 1jkn s THR 81 N 1.46 3.91 0.33 5.49 -4.23 -1.26 -1.57 115.64 119.77 1jkn s THR 81 Ca 0.04 -0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.20 1jkn s THR 81 Cb -0.15 -2.64 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 1jkn s THR 81 CO -0.02 0.57 0.06 -0.72 -0.54 0.00 0.00 174.62 173.97 1jkn s TYR 82 N -0.52 1.96 0.17 3.99 1.13 -1.25 -4.63 117.35 118.20 1jkn s TYR 82 Ca 0.08 -0.97 0.07 0.00 -1.41 0.00 0.00 57.07 54.84 1jkn s TYR 82 Cb -0.12 -1.28 -0.04 0.00 -1.10 0.00 0.00 41.96 39.41 1jkn s TYR 82 CO 0.02 0.00 -0.14 0.16 -2.51 0.00 0.00 175.55 173.08 1jkn s ASP 83 N -3.49 2.30 0.10 -0.18 1.47 -1.26 -3.59 116.67 112.03 1jkn s ASP 83 Ca 0.36 -0.95 0.10 0.00 1.18 0.00 0.00 52.55 53.24 1jkn s ASP 83 Cb 0.09 -0.10 -0.04 0.00 -0.34 0.00 0.00 42.92 42.53 1jkn s ASP 83 CO 0.15 -0.18 -0.25 -0.36 0.68 0.00 0.00 175.17 175.22 1jkn s PHE 84 N -2.75 2.14 1.09 2.11 0.08 -1.22 -4.85 117.98 114.59 1jkn s PHE 84 Ca 0.17 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.71 1jkn s PHE 84 Cb -0.02 -1.19 0.24 0.00 -0.57 0.00 0.00 43.02 41.49 1jkn s PHE 84 CO 0.05 0.26 1.06 -1.25 -0.10 0.00 0.00 175.22 175.23 1jkn s PRO 85 N -1.84 -0.35 0.42 0.24 0.04 -1.26 -4.36 135.00 127.89 1jkn s PRO 85 Ca 0.11 0.85 0.29 0.00 0.04 0.00 0.00 61.00 62.29 1jkn s PRO 85 Cb -0.10 -1.62 1.53 0.00 0.04 0.00 0.00 34.50 34.35 1jkn s PRO 85 CO 0.05 -3.35 1.88 -1.00 0.04 0.00 0.00 177.00 174.62 1jkn h PRO 86 N -2.35 0.00 0.04 0.56 0.13 -2.01 0.63 132.00 129.01 1jkn h PRO 86 Ca -0.58 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.22 1jkn h PRO 86 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 1jkn h PRO 86 CO 0.51 0.00 -1.91 1.63 -0.23 0.00 0.00 178.00 178.00 1jkn n LYS 87 N -2.53 0.68 -0.06 0.86 4.76 -1.26 -3.08 118.16 117.53 1jkn n LYS 87 Ca -0.01 0.25 -0.17 0.00 -2.87 0.00 0.00 58.31 55.51 1jkn n LYS 87 Cb 0.07 -1.73 -0.13 0.00 -1.84 0.00 0.00 35.03 31.41 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1jkn h VAL 88 N 0.03 1.49 -0.52 -0.18 2.07 -1.66 -1.94 116.25 115.54 1jkn h VAL 88 Ca -0.37 -2.33 0.05 0.00 0.82 0.00 0.00 66.70 64.86 1jkn h VAL 88 Cb 2.04 3.03 -0.04 0.00 -1.52 0.00 0.00 31.29 34.79 1jkn h VAL 88 CO 0.07 0.55 0.26 -0.09 0.02 0.00 0.00 177.57 178.38 1jkn h ARG 89 N -0.89 0.49 0.00 1.57 1.12 0.04 0.57 114.38 117.28 1jkn h ARG 89 Ca -0.12 -0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.63 1jkn h ARG 89 Cb 1.19 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.03 1jkn h ARG 89 CO -0.03 0.33 -0.42 1.49 -3.11 0.00 0.00 179.97 178.22 1jkn h GLU 90 N 0.51 0.00 -0.04 0.20 4.81 -1.67 -2.32 114.58 116.07 1jkn h GLU 90 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 1jkn h GLU 90 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1jkn h GLU 90 CO -0.16 0.42 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.12 1jkn h LYS 91 N 0.00 0.20 -0.30 1.92 3.11 -0.27 -3.28 116.57 117.96 1jkn h LYS 91 Ca -0.00 -0.17 0.03 0.00 -2.81 0.00 0.00 60.65 57.70 1jkn h LYS 91 Cb 0.74 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.98 1jkn h LYS 91 CO 0.05 0.83 0.10 -0.07 -2.81 0.00 0.00 179.45 177.56 1jkn h LEU 92 N -0.37 0.11 -1.89 5.20 3.38 0.15 0.67 115.31 122.56 1jkn h LEU 92 Ca -0.02 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.38 1jkn h LEU 92 Cb 0.87 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 1jkn h LEU 92 CO 0.04 0.10 0.96 0.78 0.09 0.00 0.00 178.44 180.41 1jkn h ASN 93 N 0.23 0.06 0.01 -0.43 2.35 -1.49 1.66 115.58 117.98 1jkn h ASN 93 Ca 0.13 0.02 -0.39 0.00 -0.55 0.00 0.00 56.30 55.51 1jkn h ASN 93 Cb 0.10 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 1jkn h ASN 93 CO -0.13 -0.01 -2.14 -0.38 -1.65 0.00 0.00 177.43 173.12 1jkn n ILE 94 N -4.21 1.54 0.14 2.81 5.41 -0.40 -2.78 119.36 121.87 1jkn n ILE 94 Ca 0.30 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.62 1jkn n ILE 94 Cb 1.39 -1.88 -0.08 0.00 -0.71 0.00 0.00 39.64 38.36 1jkn n ILE 94 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jkn h GLN 95 N -0.86 -0.38 0.05 0.38 -0.00 0.13 -3.30 115.11 111.13 1jkn h GLN 95 Ca -0.58 0.03 -0.23 0.00 -0.00 0.00 0.00 58.65 57.87 1jkn h GLN 95 Cb 1.57 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 29.13 1jkn h GLN 95 CO -0.31 -0.04 -1.07 -1.49 0.00 0.00 0.00 178.83 175.92 1jkn h TRP 96 N -0.83 0.28 -1.84 3.99 4.06 0.21 -3.48 115.95 118.33 1jkn h TRP 96 Ca -0.04 -0.19 -0.11 0.00 2.06 0.00 0.00 58.89 60.61 1jkn h TRP 96 Cb 0.52 -0.02 0.02 0.00 -1.00 0.00 0.00 29.16 28.68 1jkn h TRP 96 CO 0.04 1.11 -0.17 0.41 -3.56 0.00 0.00 178.44 176.27 1jkn n GLY 97 N 1.31 0.44 3.23 1.49 0.00 0.85 -4.98 105.19 107.53 1jkn n GLY 97 Ca -0.04 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.99 2.13 -0.95 1.61 0.01 -1.25 -4.99 113.70 107.28 1jkn s SER 98 Ca 0.11 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 1jkn s SER 98 Cb -0.05 -0.11 0.29 0.00 0.21 0.00 0.00 66.02 66.37 1jkn s SER 98 CO 0.14 0.02 1.28 -0.90 0.41 0.00 0.00 173.24 174.19 1jkn n ASP 99 N 1.31 5.69 -3.94 2.44 5.75 -1.26 -3.97 116.55 122.57 1jkn n ASP 99 Ca -0.20 -3.44 -0.17 0.00 -0.01 0.00 0.00 54.79 50.97 1jkn n ASP 99 Cb 0.54 -1.09 -0.15 0.00 -1.03 0.00 0.00 41.12 39.39 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 1jkn s TRP 100 N -2.79 0.58 0.22 2.11 0.52 -1.26 -4.98 118.94 113.33 1jkn s TRP 100 Ca 0.34 -0.12 0.07 0.00 0.02 0.00 0.00 56.10 56.41 1jkn s TRP 100 Cb 0.09 -0.44 0.18 0.00 -1.15 0.00 0.00 33.47 32.14 1jkn s TRP 100 CO 0.06 -0.07 1.50 0.87 0.02 0.00 0.00 176.95 179.34 1jkn h LYS 101 N 6.43 0.10 0.00 4.98 6.56 -1.95 -3.48 116.57 129.21 1jkn h LYS 101 Ca -0.33 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 1jkn h LYS 101 Cb 1.17 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1jkn h LYS 101 CO 0.49 0.78 0.00 0.41 -2.06 0.00 0.00 179.45 179.07 1jkn n GLY 102 N 0.54 3.89 3.42 3.86 0.00 -1.26 -3.41 105.19 112.23 1jkn n GLY 102 Ca -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 1.65 0.52 -0.56 1.61 -0.21 -1.24 -3.05 119.66 118.39 1jkn s GLN 103 Ca 0.00 1.23 -0.24 0.00 0.02 0.00 0.00 55.36 56.36 1jkn s GLN 103 Cb 0.00 0.63 0.04 0.00 1.00 0.00 0.00 33.01 34.68 1jkn s GLN 103 CO 0.00 -0.33 0.97 0.00 -2.12 0.00 0.00 175.29 173.81 1jkn s ALA 104 N 2.82 3.13 0.17 6.09 0.00 -1.11 -3.86 121.76 129.01 1jkn s ALA 104 Ca 0.02 -1.24 0.09 0.00 0.00 0.00 0.00 51.96 50.84 1jkn s ALA 104 Cb -0.13 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1jkn s ALA 104 CO -0.18 -2.45 -0.14 1.14 0.00 0.00 0.00 175.76 174.13 1jkn s GLN 105 N 4.08 1.91 -0.56 0.00 -2.07 -0.61 -3.57 119.66 118.84 1jkn s GLN 105 Ca 0.31 -1.31 -0.08 0.00 -1.82 0.00 0.00 55.36 52.47 1jkn s GLN 105 Cb -0.12 -2.09 0.15 0.00 -1.09 0.00 0.00 33.01 29.85 1jkn s GLN 105 CO 0.19 0.43 0.43 0.15 -1.32 0.00 0.00 175.29 175.17 1jkn s LYS 106 N -2.70 2.64 0.31 9.60 -0.14 -1.17 0.23 119.74 128.51 1jkn s LYS 106 Ca 0.23 -2.09 -0.29 0.00 -1.36 0.00 0.00 55.97 52.46 1jkn s LYS 106 Cb -0.09 -3.92 -0.10 0.00 -1.68 0.00 0.00 37.83 32.04 1jkn s LYS 106 CO 0.13 -1.19 1.39 -1.58 -0.76 0.00 0.00 175.35 173.34 1jkn s TRP 107 N 0.76 2.95 -0.07 3.18 0.52 -1.26 -3.93 118.94 121.09 1jkn s TRP 107 Ca 0.11 1.23 0.05 0.00 0.02 0.00 0.00 56.10 57.51 1jkn s TRP 107 Cb -0.22 -3.79 -0.00 0.00 -1.15 0.00 0.00 33.47 28.31 1jkn s TRP 107 CO -0.03 -2.35 -0.22 -0.06 0.02 0.00 0.00 176.95 174.31 1jkn s PHE 108 N -0.74 2.22 0.11 -1.98 0.40 -1.11 -2.04 117.98 114.85 1jkn s PHE 108 Ca 0.53 -0.77 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 1jkn s PHE 108 Cb -0.42 -1.49 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 1jkn s PHE 108 CO 0.51 -0.29 0.98 -1.17 0.70 0.00 0.00 175.22 175.96 1jkn s LEU 109 N 0.16 4.49 -0.06 -0.37 2.96 0.18 0.02 118.68 126.07 1jkn s LEU 109 Ca -0.11 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.66 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 -0.11 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.46 1jkn s PHE 110 N 0.06 1.64 -0.27 5.38 0.40 0.44 0.12 117.98 125.75 1jkn s PHE 110 Ca 0.48 -0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 56.11 1jkn s PHE 110 Cb -0.24 -1.14 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1jkn s PHE 110 CO 0.30 -0.23 0.40 0.21 0.70 0.00 0.00 175.22 176.60 1jkn s LYS 111 N 0.31 4.03 -0.04 0.44 2.20 0.61 -0.50 119.74 126.78 1jkn s LYS 111 Ca -0.09 0.09 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 1jkn s LYS 111 Cb -0.13 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 1jkn s LYS 111 CO 0.03 -0.28 1.54 0.12 -0.36 0.00 0.00 175.35 176.41 1jkn s PHE 112 N 2.08 2.35 -0.26 4.03 5.36 -0.75 -1.11 117.98 129.69 1jkn s PHE 112 Ca 0.16 0.46 0.10 0.00 -0.96 0.00 0.00 56.93 56.69 1jkn s PHE 112 Cb -0.16 -3.81 0.45 0.00 -0.34 0.00 0.00 43.02 39.17 1jkn s PHE 112 CO 0.10 -3.25 1.19 0.25 -1.46 0.00 0.00 175.22 172.05 1jkn n THR 113 N 5.17 2.24 -1.02 0.12 -2.24 0.31 -4.74 114.28 114.12 1jkn n THR 113 Ca 0.16 -3.75 0.00 0.00 -2.27 0.00 0.00 64.05 58.19 1jkn n THR 113 Cb 0.43 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.75 5.53 3.26 3.38 0.00 -1.21 -4.77 105.19 110.64 1jkn n GLY 114 Ca 0.33 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 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 3.46 1.09 0.35 1.61 -0.21 -1.26 -5.00 119.66 119.70 1jkn s GLN 115 Ca 0.00 -1.26 0.14 0.00 0.02 0.00 0.00 55.36 54.26 1jkn s GLN 115 Cb 0.00 -1.06 0.74 0.00 1.00 0.00 0.00 33.01 33.69 1jkn s GLN 115 CO 0.00 0.21 1.32 -0.44 -2.12 0.00 0.00 175.29 174.26 1jkn h ASP 116 N 3.55 0.00 1.04 5.90 3.32 -2.02 0.69 116.42 128.89 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 -0.27 1.67 -1.72 0.00 0.00 179.24 179.41 1jkn n GLN 117 N -2.10 0.18 0.12 3.56 7.27 -1.26 -3.51 117.38 121.64 1jkn n GLN 117 Ca -0.01 0.10 0.02 0.00 0.07 0.00 0.00 57.00 57.18 1jkn n GLN 117 Cb 0.34 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.34 1jkn n GLN 117 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1jkn h GLU 118 N 0.00 0.00 -6.39 3.69 4.22 0.01 -3.43 114.58 112.68 1jkn h GLU 118 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.88 1jkn h GLU 118 Cb 0.65 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1jkn h GLU 118 CO 0.00 0.50 1.15 0.42 -2.18 0.00 0.00 179.01 178.90 1jkn s ILE 119 N -2.95 3.73 -0.44 2.32 1.01 -1.23 -3.93 121.20 119.71 1jkn s ILE 119 Ca 0.03 0.69 0.02 0.00 0.00 0.00 0.00 60.65 61.39 1jkn s ILE 119 Cb 0.08 -4.13 0.12 0.00 0.01 0.00 0.00 42.46 38.53 1jkn s ILE 119 CO 0.76 -0.82 0.18 0.21 0.00 0.00 0.00 174.94 175.27 1jkn s ASN 120 N 4.93 4.74 0.62 3.58 3.04 0.29 -4.95 114.94 127.20 1jkn s ASN 120 Ca 0.63 -2.50 0.29 0.00 0.04 0.00 0.00 52.86 51.33 1jkn s ASN 120 Cb -0.14 -1.69 1.57 0.00 -1.54 0.00 0.00 41.25 39.45 1jkn s ASN 120 CO 0.29 -0.35 1.93 -0.07 -3.04 0.00 0.00 177.10 175.86 1jkn h LEU 121 N 7.25 0.00 0.78 3.21 3.38 -1.79 -1.81 115.31 126.32 1jkn h LEU 121 Ca -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1jkn h LEU 121 Cb 0.97 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1jkn h LEU 121 CO 0.62 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.71 1jkn h LEU 122 N 0.00 -0.88 0.00 1.67 3.38 -1.81 -3.19 115.31 114.48 1jkn h LEU 122 Ca 0.10 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jkn h LEU 122 Cb 0.87 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1jkn h LEU 122 CO -0.00 -0.54 0.00 0.61 0.09 0.00 0.00 178.44 178.60 1jkn n GLY 123 N -1.08 0.60 1.95 0.83 0.00 -0.69 -2.98 105.19 103.82 1jkn n GLY 123 Ca -0.14 -1.85 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 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 3.00 6.32 -1.38 1.61 5.75 -1.15 -4.70 116.55 126.00 1jkn n ASP 124 Ca 0.00 -3.17 -0.14 0.00 -0.01 0.00 0.00 54.79 51.47 1jkn n ASP 124 Cb 0.00 -1.00 -0.02 0.00 -1.03 0.00 0.00 41.12 39.06 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 0.04 0.37 0.47 6.12 0.00 -1.26 -4.91 105.19 106.02 1jkn n GLY 125 Ca 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.46 0.59 -4.81 1.61 2.88 -1.26 -5.08 113.62 107.10 1jkn n SER 126 Ca -0.15 0.09 -0.22 0.00 -1.33 0.00 0.00 58.87 57.26 1jkn n SER 126 Cb 0.56 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.56 2.58 0.51 -1.46 -1.05 -1.26 -5.11 118.70 111.36 1jkn s GLU 127 Ca -0.06 -1.40 -0.21 0.00 -0.15 0.00 0.00 54.97 53.15 1jkn s GLU 127 Cb 0.01 -2.36 -0.06 0.00 -0.44 0.00 0.00 34.13 31.28 1jkn s GLU 127 CO 0.09 0.10 1.17 0.15 0.95 0.00 0.00 175.26 177.71 1jkn s LYS 128 N -3.94 3.47 0.44 -4.83 3.01 -1.26 -4.59 119.74 112.04 1jkn s LYS 128 Ca 0.40 1.74 -0.23 0.00 -1.01 0.00 0.00 55.97 56.87 1jkn s LYS 128 Cb -0.04 -2.18 -0.10 0.00 -1.01 0.00 0.00 37.83 34.49 1jkn s LYS 128 CO 0.25 -0.78 0.85 -2.30 0.51 0.00 0.00 175.35 173.87 1jkn n PRO 129 N -0.98 1.03 -0.04 -1.68 -0.02 -1.16 -4.90 135.00 127.25 1jkn n PRO 129 Ca 0.10 0.37 -0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1jkn n PRO 129 Cb 0.49 -1.88 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 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 0.15 1.39 -4.31 -0.52 4.71 -1.20 -5.00 120.64 115.85 1jkn n GLU 130 Ca 0.11 0.03 -0.23 0.00 -0.01 0.00 0.00 57.16 57.05 1jkn n GLU 130 Cb 0.40 -1.16 -0.08 0.00 -1.01 0.00 0.00 31.44 29.59 1jkn n GLU 130 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1jkn s PHE 131 N -2.16 2.65 -0.02 -0.32 0.08 -1.26 -2.79 117.98 114.16 1jkn s PHE 131 Ca -0.08 -0.23 0.05 0.00 0.12 0.00 0.00 56.93 56.79 1jkn s PHE 131 Cb 0.02 -1.18 -0.08 0.00 -0.57 0.00 0.00 43.02 41.22 1jkn s PHE 131 CO 0.22 0.62 0.12 0.41 -0.10 0.00 0.00 175.22 176.49 1jkn n GLY 132 N -0.79 -0.19 3.61 4.36 0.00 -1.11 -4.59 105.19 106.48 1jkn n GLY 132 Ca -0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.31 1.77 0.11 1.61 8.01 -1.26 -5.00 118.70 121.63 1jkn s GLU 133 Ca -0.02 -1.40 -0.25 0.00 0.01 0.00 0.00 54.97 53.31 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -4.31 0.00 0.00 34.13 30.42 1jkn s GLU 133 CO 0.21 -0.76 0.63 1.67 0.01 0.00 0.00 175.26 177.02 1jkn s TRP 134 N -3.48 -0.55 0.12 1.61 1.48 -1.26 0.39 118.94 117.24 1jkn s TRP 134 Ca 0.23 0.48 -0.20 0.00 -1.06 0.00 0.00 56.10 55.55 1jkn s TRP 134 Cb -0.02 0.53 0.05 0.00 -1.16 0.00 0.00 33.47 32.88 1jkn s TRP 134 CO 0.12 -0.79 0.51 0.45 -4.06 0.00 0.00 176.95 173.19 1jkn s SER 135 N -2.42 -0.42 -0.21 -2.66 0.15 0.10 -4.95 113.70 103.30 1jkn s SER 135 Ca -0.01 -0.06 -0.19 0.00 0.70 0.00 0.00 55.95 56.39 1jkn s SER 135 Cb -0.01 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.80 1jkn s SER 135 CO -0.08 -0.86 0.54 0.26 1.20 0.00 0.00 173.24 174.30 1jkn s TRP 136 N -3.40 3.36 0.06 3.44 0.52 -1.26 -1.76 118.94 119.90 1jkn s TRP 136 Ca -0.00 0.79 0.03 0.00 0.02 0.00 0.00 56.10 56.94 1jkn s TRP 136 Cb 0.00 -2.71 -0.03 0.00 -1.15 0.00 0.00 33.47 29.59 1jkn s TRP 136 CO -0.09 -0.14 -0.10 0.14 0.02 0.00 0.00 176.95 176.78 1jkn s VAL 137 N 1.79 0.74 0.80 4.03 -7.23 -1.19 -4.87 120.40 114.47 1jkn s VAL 137 Ca 0.25 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1jkn s VAL 137 Cb -0.16 -0.86 0.07 0.00 0.56 0.00 0.00 36.38 35.99 1jkn s VAL 137 CO 0.10 -0.39 1.09 0.42 -0.31 0.00 0.00 175.10 176.01 1jkn s THR 138 N -1.59 3.18 0.17 5.32 -4.23 -1.26 0.11 115.64 117.33 1jkn s THR 138 Ca -0.05 0.38 0.29 0.00 -1.18 0.00 0.00 61.69 61.13 1jkn s THR 138 Cb -0.08 -2.85 0.29 0.00 1.34 0.00 0.00 72.50 71.19 1jkn s THR 138 CO 0.01 -0.50 1.87 1.55 -0.54 0.00 0.00 174.62 177.00 1jkn h PRO 139 N -1.22 0.00 0.04 3.99 0.13 -1.92 0.64 132.00 133.66 1jkn h PRO 139 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 1jkn h PRO 139 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1jkn h PRO 139 CO 0.52 0.00 -1.96 0.39 -0.23 0.00 0.00 178.00 176.72 1jkn n GLU 140 N -2.54 0.68 0.01 0.86 1.02 -1.26 -3.57 120.64 115.84 1jkn n GLU 140 Ca -0.02 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 1jkn n GLU 140 Cb 0.10 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 29.72 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 -0.09 -0.68 3.49 1.08 -1.31 -2.57 115.11 115.06 1jkn h GLN 141 Ca -0.39 0.01 0.16 0.00 -1.45 0.00 0.00 58.65 56.97 1jkn h GLN 141 Cb 2.04 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 29.45 1jkn h GLN 141 CO 0.06 0.41 0.47 1.25 -0.95 0.00 0.00 178.83 180.07 1jkn h LEU 142 N -0.66 0.22 -1.28 1.46 5.85 -1.17 0.99 115.31 120.72 1jkn h LEU 142 Ca -0.01 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1jkn h LEU 142 Cb 0.55 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1jkn h LEU 142 CO 0.02 0.12 -0.33 0.40 -0.34 0.00 0.00 178.44 178.30 1jkn h ILE 143 N 0.24 1.04 0.00 4.05 1.08 -1.58 0.50 117.51 122.83 1jkn h ILE 143 Ca 0.33 -1.22 -0.04 0.00 -0.39 0.00 0.00 64.86 63.53 1jkn h ILE 143 Cb 0.95 1.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.40 1jkn h ILE 143 CO -0.07 0.33 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.72 1jkn h ASP 144 N 0.00 0.00 0.26 1.72 1.82 0.14 -3.26 116.42 117.10 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.30 1jkn h ASP 144 Cb 0.67 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.70 1jkn h ASP 144 CO 0.04 0.20 -1.65 -0.07 -1.61 0.00 0.00 179.24 176.15 1jkn h LEU 145 N 0.00 0.63 -9.93 2.28 3.38 -0.43 -3.47 115.31 107.76 1jkn h LEU 145 Ca -0.00 -0.86 -0.49 0.00 0.09 0.00 0.00 57.88 56.62 1jkn h LEU 145 Cb 1.16 -0.21 0.22 0.00 0.09 0.00 0.00 40.66 41.92 1jkn h LEU 145 CO 0.03 1.71 -0.41 0.41 0.09 0.00 0.00 178.44 180.26 1jkn n THR 146 N -3.59 0.00 -2.98 0.22 -1.04 0.09 -4.55 114.28 102.42 1jkn n THR 146 Ca -0.21 -0.23 -0.22 0.00 -2.04 0.00 0.00 64.05 61.34 1jkn n THR 146 Cb 1.08 -0.78 0.01 0.00 -1.82 0.00 0.00 70.33 68.82 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 -2.41 3.88 0.39 12.58 0.11 -1.26 -4.87 120.40 128.82 1jkn s VAL 147 Ca 0.61 -0.54 0.11 0.00 -2.93 0.00 0.00 61.98 59.23 1jkn s VAL 147 Cb -0.20 -3.43 0.32 0.00 -1.53 0.00 0.00 36.38 31.54 1jkn s VAL 147 CO 0.65 -0.29 1.93 -0.33 -3.33 0.00 0.00 175.10 173.72 1jkn h GLU 148 N 0.40 0.57 -0.32 1.54 4.39 -1.96 0.14 114.58 119.35 1jkn h GLU 148 Ca -0.46 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1jkn h GLU 148 Cb 1.26 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1jkn h GLU 148 CO 0.56 0.38 0.00 1.97 -1.16 0.00 0.00 179.01 180.76 1jkn n PHE 149 N -4.50 0.43 -0.37 4.33 1.16 -1.26 -3.68 117.46 113.57 1jkn n PHE 149 Ca 0.13 -0.21 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 1jkn n PHE 149 Cb 0.39 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.26 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 0.44 0.77 0.31 3.97 5.02 0.25 -4.34 118.16 124.57 1jkn n LYS 150 Ca 0.11 -0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1jkn n LYS 150 Cb 0.27 -0.54 -0.07 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.82 -0.88 1.97 1.57 -0.97 -1.55 116.57 115.90 1jkn h LYS 151 Ca 0.00 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1jkn h LYS 151 Cb 0.18 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 1jkn h LYS 151 CO 0.00 -0.54 0.55 -1.00 -0.57 0.00 0.00 179.45 177.89 1jkn h PRO 152 N -0.85 0.98 -0.07 3.15 0.13 -1.88 0.57 132.00 134.03 1jkn h PRO 152 Ca -0.08 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.01 1jkn h PRO 152 Cb 0.67 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1jkn h PRO 152 CO 0.09 0.65 0.06 0.28 -0.23 0.00 0.00 178.00 178.84 1jkn h VAL 153 N 1.01 0.86 0.00 1.56 2.07 -1.76 -1.08 116.25 118.91 1jkn h VAL 153 Ca 0.38 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.74 1jkn h VAL 153 Cb 0.16 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1jkn h VAL 153 CO -0.17 0.00 -1.10 -1.22 0.02 0.00 0.00 177.57 175.10 1jkn n TYR 154 N -4.37 0.85 -0.34 1.57 4.02 -0.40 -3.78 117.16 114.72 1jkn n TYR 154 Ca -0.01 0.37 0.28 0.00 -0.01 0.00 0.00 57.90 58.53 1jkn n TYR 154 Cb 0.16 -0.95 0.60 0.00 -0.02 0.00 0.00 39.34 39.14 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 0.23 -0.27 -0.72 1.57 0.19 0.57 116.57 117.13 1jkn h LYS 155 Ca -0.24 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1jkn h LYS 155 Cb 1.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1jkn h LYS 155 CO -0.15 0.15 -0.04 1.49 -0.57 0.00 0.00 179.45 180.33 1jkn h GLU 156 N 0.23 0.51 -0.12 3.15 4.57 -1.37 0.20 114.58 121.75 1jkn h GLU 156 Ca 0.61 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.64 1jkn h GLU 156 Cb 1.88 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.41 1jkn h GLU 156 CO -0.22 0.70 -0.04 0.28 -1.18 0.00 0.00 179.01 178.55 1jkn h VAL 157 N 0.27 0.85 -0.12 0.32 2.07 -0.01 0.61 116.25 120.25 1jkn h VAL 157 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1jkn h VAL 157 Cb 0.50 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1jkn h VAL 157 CO 0.02 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.60 1jkn h LEU 158 N -0.02 0.15 -0.65 2.57 3.38 -1.16 -1.13 115.31 118.46 1jkn h LEU 158 Ca 0.06 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1jkn h LEU 158 Cb 0.11 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 1jkn h LEU 158 CO -0.14 0.24 0.07 -1.28 0.09 0.00 0.00 178.44 177.42 1jkn h SER 159 N 0.06 -0.15 0.69 -0.43 0.87 -0.18 1.79 113.55 116.20 1jkn h SER 159 Ca 0.04 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 1jkn h SER 159 Cb 0.12 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1jkn h SER 159 CO -0.00 -0.07 -0.20 0.58 -0.53 0.00 0.00 176.83 176.60 1jkn h VAL 160 N 0.18 0.60 -0.55 2.23 2.07 -0.64 -2.60 116.25 117.54 1jkn h VAL 160 Ca 0.35 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1jkn h VAL 160 Cb 0.56 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1jkn h VAL 160 CO -0.50 0.20 0.00 0.49 0.02 0.00 0.00 177.57 177.78 1jkn n PHE 161 N -3.51 0.74 -0.06 1.57 3.72 0.18 -4.62 117.46 115.49 1jkn n PHE 161 Ca -0.01 -0.46 -0.07 0.00 -0.05 0.00 0.00 57.45 56.86 1jkn n PHE 161 Cb 0.36 -0.01 -0.01 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 3.49 0.02 -0.24 4.37 0.00 0.28 -0.52 119.26 126.66 1jkn h ALA 162 Ca 0.00 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1jkn h ALA 162 Cb 0.89 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1jkn h ALA 162 CO 0.00 -0.58 0.40 -1.00 0.00 0.00 0.00 179.25 178.08 1jkn h PRO 163 N -0.15 0.00 0.00 0.00 0.13 -1.82 0.39 132.00 130.56 1jkn h PRO 163 Ca 0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.13 1jkn h PRO 163 Cb 0.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 1jkn h PRO 163 CO -0.35 0.00 -1.33 0.45 -0.23 0.00 0.00 178.00 176.54 1jkn h HIS 164 N 0.00 0.00 0.00 1.56 3.86 -1.46 -3.55 115.15 115.56 1jkn h HIS 164 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1jkn h HIS 164 Cb 0.92 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.39 1jkn h HIS 164 CO 0.00 0.50 0.00 1.47 0.86 0.00 0.00 177.93 180.76