#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 -0.66 -0.19 1.61 0.04 -1.26 -5.09 135.00 129.45 1jkn s PRO 2 Ca 0.00 0.05 -0.35 0.00 0.04 0.00 0.00 61.00 60.74 1jkn s PRO 2 Cb 0.00 -1.65 0.14 0.00 0.04 0.00 0.00 34.50 33.03 1jkn s PRO 2 CO 0.00 -3.36 1.20 -0.48 0.04 0.00 0.00 177.00 174.40 1jkn s LEU 3 N -6.74 -0.14 0.00 -3.56 2.34 -1.26 -4.91 118.68 104.41 1jkn s LEU 3 Ca 0.70 0.01 0.00 0.00 0.06 0.00 0.00 54.13 54.90 1jkn s LEU 3 Cb -0.12 1.40 0.00 0.00 -0.56 0.00 0.00 46.19 46.91 1jkn s LEU 3 CO 0.56 -0.24 0.00 0.61 -1.06 0.00 0.00 176.35 176.22 1jkn n GLY 4 N -0.06 -0.68 1.66 -3.48 0.00 -1.26 -5.00 105.19 96.37 1jkn n GLY 4 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1jkn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 5 N -0.12 -8.05 -0.05 1.61 7.64 -1.26 -5.02 113.62 108.37 1jkn n SER 5 Ca 0.00 1.13 -0.11 0.00 1.01 0.00 0.00 58.87 60.91 1jkn n SER 5 Cb 0.00 -4.18 -0.04 0.00 -1.01 0.00 0.00 64.21 58.97 1jkn n SER 5 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1jkn n MET 6 N 0.86 0.24 -1.69 1.43 1.56 0.16 -4.96 117.12 114.72 1jkn n MET 6 Ca 0.00 0.09 -0.15 0.00 -0.27 0.00 0.00 57.70 57.38 1jkn n MET 6 Cb 0.00 -0.98 -0.05 0.00 2.15 0.00 0.00 33.22 34.34 1jkn n MET 6 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1jkn n ASP 7 N -3.31 -4.67 0.00 6.12 -0.08 -1.25 -4.80 116.55 108.57 1jkn n ASP 7 Ca -0.21 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1jkn n ASP 7 Cb 0.67 -3.57 0.00 0.00 2.34 0.00 0.00 41.12 40.56 1jkn n ASP 7 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jkn n SER 8 N -0.50 0.00 -4.60 1.67 7.64 -1.26 -4.86 113.62 111.72 1jkn n SER 8 Ca -0.15 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.30 1jkn n SER 8 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 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 3.22 0.55 1.43 0.04 -1.26 -4.89 135.00 134.09 1jkn s PRO 9 Ca 0.00 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 1jkn s PRO 9 Cb 0.00 -4.28 0.13 0.00 0.04 0.00 0.00 34.50 30.39 1jkn s PRO 9 CO 0.00 -2.00 0.62 -2.30 0.04 0.00 0.00 177.00 173.36 1jkn n PRO 10 N 8.59 -1.32 -3.23 0.56 -0.02 -1.26 -5.06 135.00 133.26 1jkn n PRO 10 Ca 0.26 -0.97 -0.30 0.00 -2.02 0.00 0.00 63.50 60.47 1jkn n PRO 10 Cb 0.46 -0.75 -0.04 0.00 -0.02 0.00 0.00 33.50 33.15 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 -4.37 3.71 0.00 -0.52 8.01 -1.26 -4.23 118.70 120.05 1jkn s GLU 11 Ca 0.37 0.19 0.00 0.00 0.01 0.00 0.00 54.97 55.54 1jkn s GLU 11 Cb -0.02 -2.58 0.00 0.00 -4.31 0.00 0.00 34.13 27.22 1jkn s GLU 11 CO 0.27 0.17 0.00 0.41 0.01 0.00 0.00 175.26 176.12 1jkn n GLY 12 N -0.84 2.55 3.77 -1.39 0.00 -1.26 -5.01 105.19 103.02 1jkn n GLY 12 Ca -0.00 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.95 3.77 0.40 1.61 2.02 -1.26 -3.05 117.35 119.89 1jkn s TYR 13 Ca 0.00 1.38 -0.14 0.00 -0.37 0.00 0.00 57.07 57.94 1jkn s TYR 13 Cb 0.00 -2.67 -0.08 0.00 -0.40 0.00 0.00 41.96 38.80 1jkn s TYR 13 CO 0.00 0.41 0.82 0.50 -1.57 0.00 0.00 175.55 175.71 1jkn s ARG 14 N -0.55 3.94 0.16 -0.62 3.52 -1.24 -4.69 118.95 119.47 1jkn s ARG 14 Ca 0.34 0.70 -0.32 0.00 -0.13 0.00 0.00 55.73 56.32 1jkn s ARG 14 Cb -0.20 -2.34 -0.10 0.00 -1.56 0.00 0.00 34.95 30.75 1jkn s ARG 14 CO 0.21 -0.01 1.60 1.03 -0.81 0.00 0.00 175.30 177.33 1jkn s ARG 15 N -3.50 4.20 -0.01 5.12 1.81 -1.26 -3.24 118.95 122.07 1jkn s ARG 15 Ca 0.55 2.40 -0.19 0.00 -1.72 0.00 0.00 55.73 56.76 1jkn s ARG 15 Cb -0.10 -3.20 0.04 0.00 -0.45 0.00 0.00 34.95 31.24 1jkn s ARG 15 CO 0.24 -0.64 0.41 1.21 -0.68 0.00 0.00 175.30 175.84 1jkn s ASN 16 N 1.31 -0.32 0.00 0.23 3.84 -1.21 -1.81 114.94 116.98 1jkn s ASN 16 Ca 0.71 0.22 0.07 0.00 0.21 0.00 0.00 52.86 54.07 1jkn s ASN 16 Cb -0.44 0.38 -0.02 0.00 -0.55 0.00 0.00 41.25 40.62 1jkn s ASN 16 CO 0.31 -0.52 -0.22 0.68 -2.79 0.00 0.00 177.10 174.56 1jkn s VAL 17 N -1.50 1.74 0.09 -5.21 -7.23 0.16 -3.02 120.40 105.44 1jkn s VAL 17 Ca -0.12 -1.02 0.05 0.00 -1.81 0.00 0.00 61.98 59.08 1jkn s VAL 17 Cb -0.03 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1jkn s VAL 17 CO 0.04 0.42 -0.01 -0.83 -0.31 0.00 0.00 175.10 174.41 1jkn s GLY 18 N -0.71 1.90 -0.30 2.32 0.00 -1.10 -1.77 107.32 107.67 1jkn s GLY 18 Ca 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1jkn s GLY 18 CO -0.00 -1.11 0.07 -0.42 0.00 0.00 0.00 173.10 171.64 1jkn s ILE 19 N -1.29 1.19 -0.52 0.90 1.09 -0.78 -0.66 121.20 121.12 1jkn s ILE 19 Ca 0.25 -1.51 -0.22 0.00 -1.10 0.00 0.00 60.65 58.07 1jkn s ILE 19 Cb -0.12 -1.84 0.04 0.00 -1.06 0.00 0.00 42.46 39.49 1jkn s ILE 19 CO 0.17 -0.58 0.80 0.00 -0.10 0.00 0.00 174.94 175.24 1jkn s LEU 21 N 3.36 4.08 0.16 0.00 2.96 -1.26 0.19 118.68 128.17 1jkn s LEU 21 Ca 0.24 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1jkn s LEU 21 Cb -0.15 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1jkn s LEU 21 CO 0.17 0.33 -0.15 0.00 -1.32 0.00 0.00 176.35 175.38 1jkn s MET 22 N -1.42 1.19 0.42 1.98 0.23 0.12 0.11 119.30 121.94 1jkn s MET 22 Ca 0.20 -1.42 0.08 0.00 -1.03 0.00 0.00 55.69 53.51 1jkn s MET 22 Cb -0.12 -1.04 -0.00 0.00 -1.53 0.00 0.00 34.83 32.14 1jkn s MET 22 CO 0.10 0.19 0.48 0.54 -2.03 0.00 0.00 175.02 174.30 1jkn s ASN 23 N -2.89 5.36 0.50 -1.18 4.22 -0.71 -1.73 114.94 118.51 1jkn s ASN 23 Ca 0.16 -0.59 0.26 0.00 -2.14 0.00 0.00 52.86 50.56 1jkn s ASN 23 Cb -0.03 -0.59 1.44 0.00 1.28 0.00 0.00 41.25 43.35 1jkn s ASN 23 CO 0.05 -0.72 1.78 -1.13 -2.04 0.00 0.00 177.10 175.04 1jkn h ASN 24 N 0.82 0.00 -0.03 3.54 -1.24 -1.92 0.53 115.58 117.28 1jkn h ASN 24 Ca -0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.61 1jkn h ASN 24 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1jkn h ASN 24 CO 0.51 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.12 1jkn n ASP 25 N -2.56 1.37 -0.37 1.15 8.00 -1.26 -4.91 116.55 117.97 1jkn n ASP 25 Ca -0.02 -1.47 -0.04 0.00 0.71 0.00 0.00 54.79 53.97 1jkn n ASP 25 Cb 0.23 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.08 -0.28 -2.86 -1.24 5.02 0.19 -5.05 118.16 114.02 1jkn n LYS 26 Ca 0.19 0.34 -0.20 0.00 -2.02 0.00 0.00 58.31 56.62 1jkn n LYS 26 Cb 0.33 -4.03 0.05 0.00 -0.02 0.00 0.00 35.03 31.36 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 -3.52 2.40 -0.21 1.97 1.02 -1.24 -4.78 119.74 115.38 1jkn s LYS 27 Ca 0.00 -1.23 -0.03 0.00 0.02 0.00 0.00 55.97 54.73 1jkn s LYS 27 Cb 0.00 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1jkn s LYS 27 CO 0.00 -0.76 -0.05 0.42 -0.92 0.00 0.00 175.35 174.04 1jkn s ILE 28 N -2.68 3.33 -0.35 2.17 1.09 0.28 -1.74 121.20 123.31 1jkn s ILE 28 Ca 0.60 -0.51 -0.31 0.00 -1.10 0.00 0.00 60.65 59.32 1jkn s ILE 28 Cb -0.08 -2.50 -0.09 0.00 -1.06 0.00 0.00 42.46 38.73 1jkn s ILE 28 CO 0.38 0.44 2.25 0.33 -0.10 0.00 0.00 174.94 178.24 1jkn n PHE 29 N 4.61 1.66 -5.03 3.97 -0.00 0.30 -2.97 117.46 120.01 1jkn n PHE 29 Ca -0.18 0.12 -0.32 0.00 -0.00 0.00 0.00 57.45 57.07 1jkn n PHE 29 Cb 0.51 -2.61 -0.15 0.00 -0.00 0.00 0.00 39.48 37.23 1jkn n PHE 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jkn s ALA 30 N 8.36 2.42 0.01 3.13 0.00 -0.53 -4.72 121.76 130.44 1jkn s ALA 30 Ca 1.06 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 52.12 1jkn s ALA 30 Cb -0.61 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1jkn s ALA 30 CO 0.41 0.39 -0.23 0.00 0.00 0.00 0.00 175.76 176.33 1jkn s ALA 31 N -0.12 1.95 0.54 0.00 0.00 -0.86 0.76 121.76 124.05 1jkn s ALA 31 Ca -0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 1jkn s ALA 31 Cb -0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 1jkn s ALA 31 CO 0.04 0.47 0.94 -1.54 0.00 0.00 0.00 175.76 175.67 1jkn s SER 32 N -0.79 6.35 0.84 0.00 1.04 -0.21 -0.78 113.70 120.14 1jkn s SER 32 Ca 0.09 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 1jkn s SER 32 Cb -0.09 -2.41 0.09 0.00 0.10 0.00 0.00 66.02 63.71 1jkn s SER 32 CO 0.00 -0.70 1.09 -0.13 0.98 0.00 0.00 173.24 174.48 1jkn s ARG 33 N -4.72 1.75 0.00 4.02 0.52 0.41 -2.82 118.95 118.12 1jkn s ARG 33 Ca 0.54 0.86 0.23 0.00 -0.52 0.00 0.00 55.73 56.84 1jkn s ARG 33 Cb -0.11 -1.86 0.14 0.00 0.52 0.00 0.00 34.95 33.64 1jkn s ARG 33 CO 0.45 -1.91 1.17 1.28 0.02 0.00 0.00 175.30 176.31 1jkn n LEU 34 N -3.66 1.28 0.00 2.53 4.77 -0.84 -4.01 117.00 117.07 1jkn n LEU 34 Ca 0.07 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1jkn n LEU 34 Cb 0.55 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1jkn n LEU 34 CO 0.55 0.26 -0.25 -0.67 -1.33 0.00 0.00 177.39 175.95 1jkn n ASP 35 N -0.84 2.53 -4.07 -1.43 2.03 -1.26 -4.98 116.55 108.52 1jkn n ASP 35 Ca 0.07 -0.04 -0.32 0.00 0.52 0.00 0.00 54.79 55.02 1jkn n ASP 35 Cb 0.38 0.59 -0.15 0.00 -0.72 0.00 0.00 41.12 41.22 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 -1.10 2.06 0.19 5.18 1.01 -1.26 -5.10 121.20 122.18 1jkn s ILE 36 Ca 0.00 -1.39 -0.31 0.00 0.00 0.00 0.00 60.65 58.95 1jkn s ILE 36 Cb 0.00 -2.10 -0.10 0.00 0.01 0.00 0.00 42.46 40.27 1jkn s ILE 36 CO 0.00 0.12 1.49 -2.16 0.00 0.00 0.00 174.94 174.39 1jkn s PRO 37 N 1.19 4.25 0.00 2.79 0.04 -1.26 -1.94 135.00 140.07 1jkn s PRO 37 Ca -0.05 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.29 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 0.00 177.00 172.99 1jkn n ASP 38 N 3.28 -0.84 -4.45 6.66 -0.08 -1.26 -4.96 116.55 114.90 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 -0.47 -0.04 0.00 2.34 0.00 0.00 41.12 43.35 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 -3.18 3.18 0.17 -1.67 0.00 -0.82 -4.97 121.76 114.48 1jkn s ALA 39 Ca 0.00 -2.08 0.04 0.00 0.00 0.00 0.00 51.96 49.91 1jkn s ALA 39 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 1jkn s ALA 39 CO 0.00 -2.81 0.27 -1.58 0.00 0.00 0.00 175.76 171.64 1jkn s TRP 40 N 3.69 3.41 0.10 0.00 0.52 -1.26 0.16 118.94 125.55 1jkn s TRP 40 Ca 0.24 0.06 -0.27 0.00 0.02 0.00 0.00 56.10 56.16 1jkn s TRP 40 Cb -0.14 -1.61 0.08 0.00 -1.15 0.00 0.00 33.47 30.65 1jkn s TRP 40 CO 0.05 0.50 1.04 1.14 0.02 0.00 0.00 176.95 179.71 1jkn s GLN 41 N -3.38 0.97 0.22 4.98 -2.07 0.04 -4.50 119.66 115.92 1jkn s GLN 41 Ca 0.34 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.35 1jkn s GLN 41 Cb -0.10 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1jkn s GLN 41 CO 0.28 -0.44 0.40 -1.64 -1.32 0.00 0.00 175.29 172.56 1jkn s MET 42 N -3.05 3.50 0.12 9.60 -1.94 -1.26 -2.02 119.30 124.25 1jkn s MET 42 Ca 0.12 -0.41 -0.31 0.00 -1.71 0.00 0.00 55.69 53.39 1jkn s MET 42 Cb 0.00 -2.83 -0.08 0.00 2.01 0.00 0.00 34.83 33.93 1jkn s MET 42 CO 0.00 0.38 1.44 -1.25 -0.01 0.00 0.00 175.02 175.58 1jkn s PRO 43 N -3.52 4.29 -0.16 2.03 0.04 -1.26 -4.98 135.00 131.44 1jkn s PRO 43 Ca 0.38 2.15 -0.19 0.00 0.04 0.00 0.00 61.00 63.38 1jkn s PRO 43 Cb -0.11 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.23 1jkn s PRO 43 CO 0.30 -0.49 0.51 1.14 0.04 0.00 0.00 177.00 178.49 1jkn s GLN 44 N 1.21 0.64 0.11 4.56 1.03 -1.26 -1.88 119.66 124.07 1jkn s GLN 44 Ca 0.66 0.59 -0.10 0.00 0.04 0.00 0.00 55.36 56.55 1jkn s GLN 44 Cb -0.38 0.31 0.01 0.00 0.03 0.00 0.00 33.01 32.97 1jkn s GLN 44 CO 0.30 -0.10 0.25 0.20 -2.54 0.00 0.00 175.29 173.40 1jkn s GLY 45 N 0.00 0.07 -0.06 2.60 0.00 -0.73 -4.99 107.32 104.22 1jkn s GLY 45 Ca -0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 1jkn s GLY 45 CO 0.02 -0.70 1.04 -0.32 0.00 0.00 0.00 173.10 173.14 1jkn s GLY 46 N -2.86 2.46 1.00 0.20 0.00 -1.26 0.40 107.32 107.25 1jkn s GLY 46 Ca 0.06 0.49 -0.13 0.00 0.00 0.00 0.00 44.72 45.14 1jkn s GLY 46 CO -0.10 1.92 0.66 1.39 0.00 0.00 0.00 173.10 176.97 1jkn n ILE 47 N 4.36 0.00 -0.74 0.90 5.41 -0.75 -4.87 119.36 123.66 1jkn n ILE 47 Ca 0.08 -0.18 -0.03 0.00 1.00 0.00 0.00 62.75 63.62 1jkn n ILE 47 Cb 0.49 -0.79 0.02 0.00 -0.71 0.00 0.00 39.64 38.65 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 -2.78 -0.71 -1.59 4.38 8.00 -1.26 -4.89 116.55 117.70 1jkn n ASP 48 Ca 0.07 -0.73 -0.11 0.00 0.71 0.00 0.00 54.79 54.73 1jkn n ASP 48 Cb 0.54 -0.09 0.10 0.00 -0.02 0.00 0.00 41.12 41.65 1jkn n ASP 48 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jkn n GLU 49 N -1.62 1.73 0.00 -1.24 1.02 -1.26 -4.24 120.64 115.03 1jkn n GLU 49 Ca 0.01 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.63 1jkn n GLU 49 Cb 0.05 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jkn n GLY 50 N -0.28 -0.43 3.20 0.62 0.00 -1.26 -5.17 105.19 101.86 1jkn n GLY 50 Ca 0.29 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.99 -0.01 1.61 2.12 -1.26 -5.12 118.70 117.03 1jkn s GLU 51 Ca 0.00 -0.95 -0.30 0.00 0.36 0.00 0.00 54.97 54.08 1jkn s GLU 51 Cb 0.00 -1.08 -0.04 0.00 0.26 0.00 0.00 34.13 33.28 1jkn s GLU 51 CO 0.00 0.25 1.10 0.16 -0.54 0.00 0.00 175.26 176.24 1jkn s ASP 52 N -1.54 7.19 0.55 -1.70 -4.77 -1.26 -4.75 116.67 110.39 1jkn s ASP 52 Ca 0.02 1.79 0.40 0.00 -3.30 0.00 0.00 52.55 51.46 1jkn s ASP 52 Cb -0.09 -2.57 1.58 0.00 -1.09 0.00 0.00 42.92 40.75 1jkn s ASP 52 CO 0.02 -0.43 1.73 1.55 0.70 0.00 0.00 175.17 178.75 1jkn h PRO 53 N 7.00 0.00 0.00 2.11 0.13 -1.98 0.91 132.00 140.17 1jkn h PRO 53 Ca -0.38 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.61 1jkn h PRO 53 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1jkn h PRO 53 CO 0.82 0.00 -0.64 -0.09 -0.23 0.00 0.00 178.00 177.85 1jkn h ARG 54 N 0.00 0.00 0.09 0.86 2.43 -1.93 -2.30 114.38 113.53 1jkn h ARG 54 Ca 0.65 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.56 1jkn h ARG 54 Cb 2.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 32.19 1jkn h ARG 54 CO -0.01 0.64 -1.38 -0.97 -1.51 0.00 0.00 179.97 176.75 1jkn h ASN 55 N 0.00 0.31 -0.32 -3.80 -0.73 0.35 -2.99 115.58 108.40 1jkn h ASN 55 Ca -0.01 -0.82 0.05 0.00 1.87 0.00 0.00 56.30 57.40 1jkn h ASN 55 Cb 1.17 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.64 1jkn h ASN 55 CO 0.08 1.59 0.22 0.00 -0.37 0.00 0.00 177.43 178.96 1jkn h ALA 56 N -0.10 2.04 0.17 1.57 0.00 -0.96 0.24 119.26 122.22 1jkn h ALA 56 Ca -0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1jkn h ALA 56 Cb 1.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1jkn h ALA 56 CO 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 179.25 179.08 1jkn h ALA 57 N 1.83 -0.23 -0.50 0.00 0.00 -1.53 0.61 119.26 119.44 1jkn h ALA 57 Ca 0.14 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1jkn h ALA 57 Cb 0.30 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1jkn h ALA 57 CO -0.03 -0.31 0.35 0.82 0.00 0.00 0.00 179.25 180.08 1jkn h ILE 58 N -0.88 0.84 0.02 0.00 2.04 -1.28 0.14 117.51 118.39 1jkn h ILE 58 Ca -0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1jkn h ILE 58 Cb 0.52 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1jkn h ILE 58 CO 0.04 0.03 -0.01 -0.09 0.00 0.00 0.00 178.15 178.12 1jkn h ARG 59 N 0.19 -0.03 -1.00 2.37 2.43 -0.53 -3.30 114.38 114.52 1jkn h ARG 59 Ca 0.23 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.61 1jkn h ARG 59 Cb 0.68 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.13 1jkn h ARG 59 CO -0.04 0.60 0.62 0.93 -1.51 0.00 0.00 179.97 180.57 1jkn h GLU 60 N -0.97 0.65 0.73 0.20 4.39 0.89 -1.97 114.58 118.50 1jkn h GLU 60 Ca -0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1jkn h GLU 60 Cb 0.64 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1jkn h GLU 60 CO 0.00 0.43 -0.45 1.25 -1.16 0.00 0.00 179.01 179.09 1jkn h LEU 61 N 0.67 -1.12 -0.51 1.33 5.85 -0.86 0.53 115.31 121.20 1jkn h LEU 61 Ca 0.57 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.36 1jkn h LEU 61 Cb 1.02 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1jkn h LEU 61 CO -0.36 -0.69 0.00 -2.11 -0.34 0.00 0.00 178.44 174.94 1jkn n ARG 62 N -5.58 0.06 -0.05 1.25 1.85 -0.90 0.10 116.66 113.39 1jkn n ARG 62 Ca -0.14 0.52 -0.22 0.00 -1.00 0.00 0.00 57.85 57.01 1jkn n ARG 62 Cb 0.46 -1.67 -0.13 0.00 -1.05 0.00 0.00 32.46 30.07 1jkn n ARG 62 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1jkn n GLU 63 N -1.79 0.68 0.02 2.89 1.02 -0.36 -1.11 120.64 121.99 1jkn n GLU 63 Ca -0.00 0.35 0.01 0.00 -0.02 0.00 0.00 57.16 57.49 1jkn n GLU 63 Cb 0.04 -1.69 -0.09 0.00 -0.02 0.00 0.00 31.44 29.68 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 -3.81 0.63 -0.00 3.49 1.02 0.17 -3.73 120.64 118.41 1jkn n GLU 64 Ca -0.35 0.17 0.02 0.00 -0.02 0.00 0.00 57.16 56.98 1jkn n GLU 64 Cb 0.92 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 1jkn n GLU 64 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1jkn n THR 65 N -2.82 0.03 -0.93 2.62 -1.04 0.29 -4.56 114.28 107.87 1jkn n THR 65 Ca -0.11 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1jkn n THR 65 Cb 0.83 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 1jkn n THR 65 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jkn n GLY 66 N 2.26 0.52 3.71 3.41 0.00 -0.63 0.43 105.19 114.89 1jkn n GLY 66 Ca -0.02 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 0.14 0.00 0.00 0.00 173.32 173.46 1jkn s VAL 67 N -2.39 4.12 -0.16 1.61 1.01 -1.25 -4.09 120.40 119.25 1jkn s VAL 67 Ca 0.00 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.57 1jkn s VAL 67 Cb 0.00 -3.97 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 1jkn s VAL 67 CO 0.00 0.10 -0.05 0.35 0.00 0.00 0.00 175.10 175.50 1jkn n THR 68 N 4.02 1.03 -2.97 3.92 -2.24 -1.26 -3.56 114.28 113.22 1jkn n THR 68 Ca 0.09 -0.52 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 1jkn n THR 68 Cb 0.47 -0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 67.83 1jkn n THR 68 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jkn s SER 69 N -5.25 7.02 -0.14 3.42 0.01 -1.26 -4.92 113.70 112.57 1jkn s SER 69 Ca -0.15 -2.89 -0.08 0.00 1.31 0.00 0.00 55.95 54.14 1jkn s SER 69 Cb 0.05 -2.39 0.05 0.00 0.21 0.00 0.00 66.02 63.95 1jkn s SER 69 CO 0.52 -0.76 0.34 0.00 0.41 0.00 0.00 173.24 173.74 1jkn s ALA 70 N 1.57 -0.84 0.09 1.44 0.00 -1.26 0.11 121.76 122.87 1jkn s ALA 70 Ca 0.40 1.28 0.10 0.00 0.00 0.00 0.00 51.96 53.75 1jkn s ALA 70 Cb -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1jkn s ALA 70 CO -0.02 -0.23 -0.26 -1.83 0.00 0.00 0.00 175.76 173.42 1jkn s GLU 71 N 1.28 1.61 -0.14 0.00 -1.05 -0.83 -4.89 118.70 114.69 1jkn s GLU 71 Ca -0.09 -1.23 -0.29 0.00 -0.15 0.00 0.00 54.97 53.21 1jkn s GLU 71 Cb -0.09 -1.96 -0.01 0.00 -0.44 0.00 0.00 34.13 31.64 1jkn s GLU 71 CO -0.10 0.48 1.09 0.08 0.95 0.00 0.00 175.26 177.76 1jkn s VAL 72 N -0.95 4.58 -0.05 1.83 1.01 -1.26 0.13 120.40 125.69 1jkn s VAL 72 Ca 0.13 1.89 0.17 0.00 0.00 0.00 0.00 61.98 64.16 1jkn s VAL 72 Cb -0.10 -4.21 -0.25 0.00 0.00 0.00 0.00 36.38 31.81 1jkn s VAL 72 CO 0.05 -0.07 0.31 -0.38 0.00 0.00 0.00 175.10 175.00 1jkn n ILE 73 N 4.90 0.23 -3.68 2.22 2.08 0.29 -4.89 119.36 120.50 1jkn n ILE 73 Ca 0.11 -0.45 -0.10 0.00 0.56 0.00 0.00 62.75 62.86 1jkn n ILE 73 Cb 0.47 -0.04 -0.05 0.00 -0.75 0.00 0.00 39.64 39.27 1jkn n ILE 73 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jkn s ALA 74 N -3.02 -0.77 -0.21 -1.39 0.00 -1.10 -4.95 121.76 110.32 1jkn s ALA 74 Ca -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 1jkn s ALA 74 Cb 0.10 0.63 0.11 0.00 0.00 0.00 0.00 23.12 23.95 1jkn s ALA 74 CO 0.70 -0.60 0.30 -1.83 0.00 0.00 0.00 175.76 174.33 1jkn s GLU 75 N -3.75 0.26 0.10 0.00 -1.05 -1.26 0.12 118.70 113.11 1jkn s GLU 75 Ca 0.03 0.45 -0.33 0.00 -0.15 0.00 0.00 54.97 54.97 1jkn s GLU 75 Cb 0.02 -0.68 -0.12 0.00 -0.44 0.00 0.00 34.13 32.91 1jkn s GLU 75 CO -0.11 -0.59 1.77 0.28 0.95 0.00 0.00 175.26 177.56 1jkn n VAL 76 N 5.35 0.29 0.86 1.83 0.31 -0.51 -4.86 118.33 121.60 1jkn n VAL 76 Ca -0.05 -0.05 0.10 0.00 -0.01 0.00 0.00 64.34 64.33 1jkn n VAL 76 Cb 0.50 -1.91 0.49 0.00 -0.91 0.00 0.00 33.84 32.01 1jkn n VAL 76 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1jkn n PRO 77 N 5.16 0.13 -4.66 5.55 -0.02 -1.26 -4.71 135.00 135.19 1jkn n PRO 77 Ca 0.19 0.11 -0.24 0.00 -2.02 0.00 0.00 63.50 61.54 1jkn n PRO 77 Cb 0.33 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.16 1jkn n PRO 77 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1jkn s TYR 78 N -2.81 1.41 0.46 6.00 -0.85 -1.26 -4.64 117.35 115.65 1jkn s TYR 78 Ca 0.15 -0.38 -0.23 0.00 -0.52 0.00 0.00 57.07 56.09 1jkn s TYR 78 Cb 0.14 -0.96 -0.07 0.00 0.38 0.00 0.00 41.96 41.45 1jkn s TYR 78 CO 0.36 -0.13 1.22 -1.58 -1.52 0.00 0.00 175.55 173.90 1jkn s TRP 79 N 0.06 2.79 -0.24 -3.49 0.52 -1.26 -4.51 118.94 112.81 1jkn s TRP 79 Ca -0.03 1.49 -0.04 0.00 0.02 0.00 0.00 56.10 57.54 1jkn s TRP 79 Cb -0.10 -3.49 0.00 0.00 -1.15 0.00 0.00 33.47 28.73 1jkn s TRP 79 CO 0.01 -1.80 -0.01 -0.51 0.02 0.00 0.00 176.95 174.66 1jkn s LEU 80 N -2.96 3.20 -0.07 2.99 1.43 0.26 0.38 118.68 123.91 1jkn s LEU 80 Ca 0.63 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1jkn s LEU 80 Cb -0.32 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1jkn s LEU 80 CO 0.39 -0.08 -0.04 0.42 0.23 0.00 0.00 176.35 177.28 1jkn s THR 81 N 1.46 3.97 0.26 5.49 -4.23 -1.26 -1.18 115.64 120.16 1jkn s THR 81 Ca 0.04 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 1jkn s THR 81 Cb -0.15 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1jkn s THR 81 CO -0.02 0.59 0.10 -0.72 -0.54 0.00 0.00 174.62 174.03 1jkn s TYR 82 N -0.85 1.56 0.20 3.99 1.13 -1.20 -4.68 117.35 117.50 1jkn s TYR 82 Ca 0.13 -1.18 0.09 0.00 -1.41 0.00 0.00 57.07 54.70 1jkn s TYR 82 Cb -0.11 -0.91 -0.05 0.00 -1.10 0.00 0.00 41.96 39.79 1jkn s TYR 82 CO 0.02 -0.33 -0.17 0.16 -2.51 0.00 0.00 175.55 172.72 1jkn s ASP 83 N -3.32 2.80 0.08 -0.18 1.47 -1.26 -3.06 116.67 113.19 1jkn s ASP 83 Ca 0.38 -0.97 0.10 0.00 1.18 0.00 0.00 52.55 53.24 1jkn s ASP 83 Cb 0.08 -0.17 -0.03 0.00 -0.34 0.00 0.00 42.92 42.45 1jkn s ASP 83 CO 0.14 -0.08 -0.26 -0.36 0.68 0.00 0.00 175.17 175.29 1jkn s PHE 84 N -2.57 2.23 1.18 2.11 0.08 -1.25 -4.88 117.98 114.88 1jkn s PHE 84 Ca 0.22 -0.40 -0.15 0.00 0.12 0.00 0.00 56.93 56.72 1jkn s PHE 84 Cb -0.03 -1.28 0.28 0.00 -0.57 0.00 0.00 43.02 41.41 1jkn s PHE 84 CO 0.08 0.20 1.03 -1.25 -0.10 0.00 0.00 175.22 175.18 1jkn s PRO 85 N -1.54 -1.04 0.00 0.24 0.04 -1.26 -4.46 135.00 126.98 1jkn s PRO 85 Ca 0.12 0.50 0.11 0.00 0.04 0.00 0.00 61.00 61.76 1jkn s PRO 85 Cb -0.10 -1.57 0.46 0.00 0.04 0.00 0.00 34.50 33.33 1jkn s PRO 85 CO 0.03 -3.71 1.33 -2.30 0.04 0.00 0.00 177.00 172.39 1jkn n PRO 86 N -4.86 0.01 -0.09 0.56 -0.02 -1.26 0.06 135.00 129.40 1jkn n PRO 86 Ca 0.06 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 1jkn n PRO 86 Cb 0.57 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.41 1jkn n PRO 86 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1jkn n LYS 87 N -1.48 0.68 0.01 -0.52 4.81 -1.26 -3.46 118.16 116.94 1jkn n LYS 87 Ca 0.03 0.12 -0.20 0.00 -0.87 0.00 0.00 58.31 57.39 1jkn n LYS 87 Cb 0.12 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.46 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jkn h VAL 88 N 0.01 1.36 -0.33 3.15 2.07 -1.82 -2.18 116.25 118.51 1jkn h VAL 88 Ca -0.52 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 64.55 1jkn h VAL 88 Cb 2.06 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 34.82 1jkn h VAL 88 CO -0.01 0.67 0.20 -0.09 0.02 0.00 0.00 177.57 178.37 1jkn h ARG 89 N -0.47 0.45 0.00 1.57 2.43 -0.59 0.72 114.38 118.49 1jkn h ARG 89 Ca -0.19 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 1jkn h ARG 89 Cb 1.58 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.02 1jkn h ARG 89 CO 0.08 0.34 -0.28 1.49 -1.51 0.00 0.00 179.97 180.08 1jkn h GLU 90 N 0.43 0.00 0.04 0.20 4.22 -1.68 -1.63 114.58 116.16 1jkn h GLU 90 Ca 0.12 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.48 1jkn h GLU 90 Cb -0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jkn h GLU 90 CO -0.02 0.28 -0.32 -0.22 -2.18 0.00 0.00 179.01 176.55 1jkn h LYS 91 N 0.00 0.14 -0.50 1.92 3.11 -0.62 -3.32 116.57 117.30 1jkn h LYS 91 Ca -0.00 -0.21 0.03 0.00 -2.81 0.00 0.00 60.65 57.66 1jkn h LYS 91 Cb 0.56 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.83 1jkn h LYS 91 CO 0.04 1.05 0.29 -0.07 -2.81 0.00 0.00 179.45 177.94 1jkn h LEU 92 N -0.66 0.45 -1.80 5.20 3.38 0.53 0.51 115.31 122.93 1jkn h LEU 92 Ca -0.05 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.31 1jkn h LEU 92 Cb 1.19 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1jkn h LEU 92 CO 0.06 0.32 0.91 0.78 0.09 0.00 0.00 178.44 180.61 1jkn h ASN 93 N 0.57 0.12 0.00 -0.43 2.35 -1.39 1.62 115.58 118.42 1jkn h ASN 93 Ca 0.20 0.03 -0.39 0.00 -0.55 0.00 0.00 56.30 55.60 1jkn h ASN 93 Cb 0.04 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 1jkn h ASN 93 CO -0.10 -0.01 -2.12 -0.38 -1.65 0.00 0.00 177.43 173.16 1jkn n ILE 94 N -4.29 1.54 0.24 2.81 5.41 -0.46 -2.73 119.36 121.87 1jkn n ILE 94 Ca 0.30 -0.28 -0.14 0.00 1.00 0.00 0.00 62.75 63.63 1jkn n ILE 94 Cb 1.33 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 38.28 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 -0.93 -0.62 0.05 0.38 1.08 0.84 -3.29 115.11 112.62 1jkn h GLN 95 Ca -0.58 0.04 -0.24 0.00 -1.45 0.00 0.00 58.65 56.42 1jkn h GLN 95 Cb 1.54 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 29.11 1jkn h GLN 95 CO -0.33 -0.31 -1.05 -1.49 -0.95 0.00 0.00 178.83 174.69 1jkn h TRP 96 N -0.96 0.46 -0.45 2.96 4.06 0.20 -3.48 115.95 118.73 1jkn h TRP 96 Ca -0.07 -0.29 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1jkn h TRP 96 Cb 0.59 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1jkn h TRP 96 CO 0.01 1.16 0.00 0.41 -3.56 0.00 0.00 178.44 176.46 1jkn n GLY 97 N 1.19 0.68 3.25 1.49 0.00 0.10 -4.98 105.19 106.92 1jkn n GLY 97 Ca -0.06 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.96 2.41 -0.59 1.61 0.01 -1.24 -4.98 113.70 107.96 1jkn s SER 98 Ca 0.00 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.70 1jkn s SER 98 Cb 0.00 -0.17 0.40 0.00 0.21 0.00 0.00 66.02 66.46 1jkn s SER 98 CO 0.00 0.10 1.45 -0.90 0.41 0.00 0.00 173.24 174.31 1jkn n ASP 99 N 1.54 5.77 -4.78 2.44 5.68 -1.26 -3.77 116.55 122.17 1jkn n ASP 99 Ca -0.18 -3.76 -0.30 0.00 -0.50 0.00 0.00 54.79 50.04 1jkn n ASP 99 Cb 0.54 -0.68 -0.06 0.00 -1.14 0.00 0.00 41.12 39.77 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1jkn s TRP 100 N -3.74 3.20 0.24 2.11 0.52 -1.26 -5.01 118.94 115.00 1jkn s TRP 100 Ca 0.50 0.08 0.08 0.00 0.02 0.00 0.00 56.10 56.78 1jkn s TRP 100 Cb 0.42 -1.62 0.26 0.00 -1.15 0.00 0.00 33.47 31.37 1jkn s TRP 100 CO -0.27 0.52 1.56 0.87 0.02 0.00 0.00 176.95 179.65 1jkn h LYS 101 N 3.26 0.06 0.00 4.98 6.56 -1.93 -3.48 116.57 126.02 1jkn h LYS 101 Ca -0.47 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 1jkn h LYS 101 Cb 1.16 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1jkn h LYS 101 CO 0.66 0.71 0.00 0.41 -2.06 0.00 0.00 179.45 179.17 1jkn n GLY 102 N 0.39 3.39 3.34 3.86 0.00 -1.26 -3.87 105.19 111.04 1jkn n GLY 102 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 3.97 0.51 -0.50 1.61 -1.52 -1.17 -3.72 119.66 118.83 1jkn s GLN 103 Ca 0.00 1.13 -0.18 0.00 -1.95 0.00 0.00 55.36 54.36 1jkn s GLN 103 Cb 0.00 0.52 0.06 0.00 -0.22 0.00 0.00 33.01 33.37 1jkn s GLN 103 CO 0.00 -0.40 0.57 0.00 -0.25 0.00 0.00 175.29 175.21 1jkn s ALA 104 N 2.80 3.42 0.17 6.09 0.00 -1.20 -3.22 121.76 129.81 1jkn s ALA 104 Ca 0.06 -1.81 0.09 0.00 0.00 0.00 0.00 51.96 50.30 1jkn s ALA 104 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1jkn s ALA 104 CO -0.18 -1.93 -0.19 1.14 0.00 0.00 0.00 175.76 174.59 1jkn s GLN 105 N 2.41 1.30 -0.41 0.00 -2.07 -0.32 -3.34 119.66 117.23 1jkn s GLN 105 Ca 0.13 -1.41 -0.08 0.00 -1.82 0.00 0.00 55.36 52.17 1jkn s GLN 105 Cb -0.20 -1.40 0.07 0.00 -1.09 0.00 0.00 33.01 30.39 1jkn s GLN 105 CO 0.11 0.29 0.23 0.15 -1.32 0.00 0.00 175.29 174.75 1jkn s LYS 106 N -2.73 2.57 0.40 9.60 -0.14 -1.17 0.93 119.74 129.20 1jkn s LYS 106 Ca 0.16 -1.43 -0.25 0.00 -1.36 0.00 0.00 55.97 53.09 1jkn s LYS 106 Cb -0.06 -3.72 -0.09 0.00 -1.68 0.00 0.00 37.83 32.28 1jkn s LYS 106 CO 0.07 -0.91 1.11 -1.58 -0.76 0.00 0.00 175.35 173.27 1jkn s TRP 107 N 1.40 3.18 -0.05 3.18 0.52 -1.26 -2.70 118.94 123.21 1jkn s TRP 107 Ca 0.03 1.61 0.03 0.00 0.02 0.00 0.00 56.10 57.78 1jkn s TRP 107 Cb -0.22 -3.26 0.00 0.00 -1.15 0.00 0.00 33.47 28.84 1jkn s TRP 107 CO 0.02 -0.95 -0.14 -0.06 0.02 0.00 0.00 176.95 175.83 1jkn s PHE 108 N -1.52 1.56 -0.02 -1.98 0.40 0.17 -1.42 117.98 115.16 1jkn s PHE 108 Ca 0.57 -0.51 -0.30 0.00 -0.60 0.00 0.00 56.93 56.09 1jkn s PHE 108 Cb -0.27 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1jkn s PHE 108 CO 0.33 -0.22 0.99 -1.17 0.70 0.00 0.00 175.22 175.86 1jkn s LEU 109 N 0.34 4.35 -0.10 -0.37 2.96 0.33 0.70 118.68 126.89 1jkn s LEU 109 Ca -0.09 1.65 0.03 0.00 -0.22 0.00 0.00 54.13 55.49 1jkn s LEU 109 Cb -0.13 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1jkn s LEU 109 CO 0.03 -0.30 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.21 1jkn s PHE 110 N 1.21 2.13 -0.23 5.38 0.40 0.51 0.10 117.98 127.48 1jkn s PHE 110 Ca 0.52 -0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 55.73 1jkn s PHE 110 Cb -0.21 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 1jkn s PHE 110 CO 0.26 -0.43 0.53 0.21 0.70 0.00 0.00 175.22 176.49 1jkn s LYS 111 N 0.69 4.13 0.11 0.44 2.47 0.35 -0.70 119.74 127.23 1jkn s LYS 111 Ca -0.12 0.39 -0.31 0.00 -1.56 0.00 0.00 55.97 54.36 1jkn s LYS 111 Cb -0.16 -3.61 -0.09 0.00 -1.46 0.00 0.00 37.83 32.50 1jkn s LYS 111 CO 0.03 -0.27 1.67 0.12 0.16 0.00 0.00 175.35 177.06 1jkn s PHE 112 N 2.05 2.56 -0.24 4.03 5.36 -0.70 -1.96 117.98 129.08 1jkn s PHE 112 Ca 0.23 0.33 0.14 0.00 -0.96 0.00 0.00 56.93 56.67 1jkn s PHE 112 Cb -0.16 -4.01 0.46 0.00 -0.34 0.00 0.00 43.02 38.98 1jkn s PHE 112 CO 0.09 -3.97 1.17 0.25 -1.46 0.00 0.00 175.22 171.30 1jkn n THR 113 N 4.49 1.92 -1.03 0.12 -2.24 0.29 -4.79 114.28 113.04 1jkn n THR 113 Ca 0.16 -3.45 0.00 0.00 -2.27 0.00 0.00 64.05 58.49 1jkn n THR 113 Cb 0.39 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.64 5.54 3.23 3.38 0.00 -1.20 -4.74 105.19 110.77 1jkn n GLY 114 Ca 0.27 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 3.45 0.99 0.46 1.61 1.11 -1.26 -5.00 119.66 121.02 1jkn s GLN 115 Ca 0.00 -1.21 0.15 0.00 0.01 0.00 0.00 55.36 54.31 1jkn s GLN 115 Cb 0.00 -0.88 0.81 0.00 -1.01 0.00 0.00 33.01 31.92 1jkn s GLN 115 CO 0.00 0.17 1.37 -0.44 0.01 0.00 0.00 175.29 176.40 1jkn h ASP 116 N 3.60 0.00 1.41 5.90 5.19 -2.02 0.80 116.42 131.31 1jkn h ASP 116 Ca -0.40 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.95 1jkn h ASP 116 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1jkn h ASP 116 CO 0.49 0.00 -0.28 1.56 -3.12 0.00 0.00 179.24 177.90 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.20 -2.03 -3.09 115.11 117.74 1jkn h GLN 117 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1jkn h GLN 117 Cb 0.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1jkn h GLN 117 CO 0.00 0.28 -0.44 1.49 -0.67 0.00 0.00 178.83 179.49 1jkn h GLU 118 N 0.00 0.00 -6.07 1.46 4.57 0.28 -3.43 114.58 111.39 1jkn h GLU 118 Ca -0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1jkn h GLU 118 Cb 1.06 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.62 1jkn h GLU 118 CO 0.04 0.44 1.35 0.42 -1.18 0.00 0.00 179.01 180.07 1jkn s ILE 119 N -3.21 3.37 -0.41 2.32 1.01 -1.17 -3.84 121.20 119.26 1jkn s ILE 119 Ca 0.03 0.30 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1jkn s ILE 119 Cb 0.09 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 38.95 1jkn s ILE 119 CO 0.72 -0.60 0.14 0.20 0.00 0.00 0.00 174.94 175.39 1jkn s ASN 120 N 7.66 4.51 0.65 3.58 -0.87 0.17 -4.95 114.94 125.69 1jkn s ASN 120 Ca 0.76 -2.46 0.39 0.00 -1.57 0.00 0.00 52.86 49.98 1jkn s ASN 120 Cb -0.17 -1.56 2.17 0.00 -0.02 0.00 0.00 41.25 41.67 1jkn s ASN 120 CO 0.27 -0.32 2.26 -0.07 -2.57 0.00 0.00 177.10 176.67 1jkn h LEU 121 N 7.19 0.00 0.70 0.60 3.38 -1.76 -1.55 115.31 123.88 1jkn h LEU 121 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 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 0.58 0.00 -0.34 -0.07 0.09 0.00 0.00 178.44 178.70 1jkn h LEU 122 N 0.00 -0.80 0.00 1.67 3.38 -1.81 -3.24 115.31 114.50 1jkn h LEU 122 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jkn h LEU 122 Cb 0.16 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jkn h LEU 122 CO -0.00 -0.53 0.00 0.61 0.09 0.00 0.00 178.44 178.61 1jkn n GLY 123 N -1.29 0.68 1.89 0.83 0.00 -0.90 -2.56 105.19 103.83 1jkn n GLY 123 Ca -0.14 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 6.17 -1.02 1.61 5.75 -0.27 -4.69 116.55 124.10 1jkn n ASP 124 Ca 0.00 -3.08 -0.10 0.00 -0.01 0.00 0.00 54.79 51.60 1jkn n ASP 124 Cb 0.00 -1.01 -0.02 0.00 -1.03 0.00 0.00 41.12 39.07 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 0.18 0.32 0.87 6.12 0.00 -1.26 -4.91 105.19 106.52 1jkn n GLY 125 Ca 0.32 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.19 0.04 -4.97 1.61 2.88 -1.26 -5.09 113.62 107.02 1jkn n SER 126 Ca -0.11 0.01 -0.21 0.00 -1.33 0.00 0.00 58.87 57.22 1jkn n SER 126 Cb 0.51 -0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.90 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1jkn s GLU 127 N -1.04 3.06 0.43 -1.46 2.02 -1.26 -5.09 118.70 115.37 1jkn s GLU 127 Ca -0.00 -0.75 -0.22 0.00 0.02 0.00 0.00 54.97 54.02 1jkn s GLU 127 Cb 0.00 -2.68 -0.10 0.00 0.10 0.00 0.00 34.13 31.45 1jkn s GLU 127 CO 0.00 -0.14 1.00 0.15 0.02 0.00 0.00 175.26 176.29 1jkn s LYS 128 N -4.39 4.10 0.22 1.61 1.02 -1.26 -4.50 119.74 116.54 1jkn s LYS 128 Ca 0.47 1.29 -0.31 0.00 0.02 0.00 0.00 55.97 57.44 1jkn s LYS 128 Cb -0.10 -2.27 -0.15 0.00 -0.52 0.00 0.00 37.83 34.80 1jkn s LYS 128 CO 0.35 -0.16 1.19 -2.30 -0.92 0.00 0.00 175.35 173.51 1jkn n PRO 129 N -0.55 1.44 -0.04 -1.68 -0.02 -1.06 -4.87 135.00 128.22 1jkn n PRO 129 Ca 0.07 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1jkn n PRO 129 Cb 0.52 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.56 2.51 -4.42 -0.52 4.71 -1.22 -4.98 120.64 118.27 1jkn n GLU 130 Ca 0.13 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 57.04 1jkn n GLU 130 Cb 0.28 -1.21 -0.09 0.00 -1.01 0.00 0.00 31.44 29.41 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 -2.20 2.39 -0.07 -0.32 0.08 -1.26 -1.99 117.98 114.61 1jkn s PHE 131 Ca -0.05 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.72 1jkn s PHE 131 Cb 0.03 -1.05 -0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1jkn s PHE 131 CO 0.33 0.68 0.08 0.41 -0.10 0.00 0.00 175.22 176.62 1jkn n GLY 132 N -0.61 0.42 3.60 4.36 0.00 -1.13 -4.58 105.19 107.25 1jkn n GLY 132 Ca -0.06 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.60 1.79 -0.05 1.61 8.01 -1.26 -5.01 118.70 122.18 1jkn s GLU 133 Ca 0.00 -1.44 -0.31 0.00 0.01 0.00 0.00 54.97 53.24 1jkn s GLU 133 Cb 0.02 0.49 0.07 0.00 -4.31 0.00 0.00 34.13 30.40 1jkn s GLU 133 CO 0.10 -0.76 0.67 1.67 0.01 0.00 0.00 175.26 176.95 1jkn s TRP 134 N -3.42 -0.65 0.06 1.61 1.48 -1.26 -1.04 118.94 115.72 1jkn s TRP 134 Ca 0.24 1.11 -0.12 0.00 -1.06 0.00 0.00 56.10 56.27 1jkn s TRP 134 Cb -0.01 0.40 0.01 0.00 -1.16 0.00 0.00 33.47 32.71 1jkn s TRP 134 CO 0.13 -0.61 0.25 -1.12 -4.06 0.00 0.00 176.95 171.55 1jkn s SER 135 N -1.20 -0.03 -0.19 -2.66 0.01 0.23 -4.97 113.70 104.89 1jkn s SER 135 Ca -0.11 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 56.60 1jkn s SER 135 Cb -0.00 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.54 1jkn s SER 135 CO 0.10 -0.65 0.49 0.26 0.41 0.00 0.00 173.24 173.85 1jkn s TRP 136 N -3.01 3.39 0.05 2.43 0.52 -1.26 -1.45 118.94 119.61 1jkn s TRP 136 Ca -0.02 0.76 0.02 0.00 0.02 0.00 0.00 56.10 56.89 1jkn s TRP 136 Cb 0.01 -2.63 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 1jkn s TRP 136 CO -0.06 -0.06 -0.08 0.14 0.02 0.00 0.00 176.95 176.91 1jkn s VAL 137 N 1.47 0.59 0.77 4.03 -7.23 -1.16 -4.87 120.40 114.00 1jkn s VAL 137 Ca 0.23 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1jkn s VAL 137 Cb -0.15 -0.72 0.05 0.00 0.56 0.00 0.00 36.38 36.12 1jkn s VAL 137 CO 0.09 -0.41 1.09 0.42 -0.31 0.00 0.00 175.10 175.99 1jkn s THR 138 N -1.55 3.32 0.37 5.32 -4.23 -1.26 0.10 115.64 117.71 1jkn s THR 138 Ca -0.08 0.44 0.30 0.00 -1.18 0.00 0.00 61.69 61.17 1jkn s THR 138 Cb -0.09 -2.93 0.30 0.00 1.34 0.00 0.00 72.50 71.12 1jkn s THR 138 CO 0.00 -0.55 1.89 1.55 -0.54 0.00 0.00 174.62 176.97 1jkn h PRO 139 N -1.05 0.00 0.04 3.99 0.13 -1.95 0.18 132.00 133.34 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 1.23 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 -1.94 0.39 -0.23 0.00 0.00 178.00 176.73 1jkn n GLU 140 N -2.66 0.68 -0.01 0.86 1.02 -1.26 -3.59 120.64 115.68 1jkn n GLU 140 Ca -0.02 0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 57.23 1jkn n GLU 140 Cb 0.20 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 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 -0.04 -0.76 3.49 1.08 -1.10 -2.73 115.11 115.08 1jkn h GLN 141 Ca -0.39 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 56.99 1jkn h GLN 141 Cb 2.04 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 29.43 1jkn h GLN 141 CO 0.06 0.51 0.51 1.25 -0.95 0.00 0.00 178.83 180.22 1jkn h LEU 142 N -0.61 0.31 -1.42 1.46 5.85 -1.01 1.04 115.31 120.93 1jkn h LEU 142 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1jkn h LEU 142 Cb 0.57 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1jkn h LEU 142 CO 0.01 0.15 -0.28 0.40 -0.34 0.00 0.00 178.44 178.37 1jkn h ILE 143 N 0.32 0.97 0.00 4.05 1.08 -1.59 0.13 117.51 122.47 1jkn h ILE 143 Ca 0.38 -1.05 -0.09 0.00 -0.39 0.00 0.00 64.86 63.71 1jkn h ILE 143 Cb 1.00 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.34 1jkn h ILE 143 CO -0.10 0.27 -0.42 -0.78 -0.69 0.00 0.00 178.15 176.43 1jkn h ASP 144 N 0.00 0.00 0.26 1.72 1.82 0.14 -3.24 116.42 117.11 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 0.58 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.62 1jkn h ASP 144 CO 0.04 0.42 -1.59 -0.07 -1.61 0.00 0.00 179.24 176.43 1jkn h LEU 145 N 0.00 0.73 -9.81 2.28 3.38 -0.34 -3.47 115.31 108.08 1jkn h LEU 145 Ca -0.00 -0.89 -0.46 0.00 0.09 0.00 0.00 57.88 56.62 1jkn h LEU 145 Cb 1.29 -0.24 0.23 0.00 0.09 0.00 0.00 40.66 42.03 1jkn h LEU 145 CO 0.05 1.72 -0.75 0.41 0.09 0.00 0.00 178.44 179.97 1jkn n THR 146 N -3.65 0.00 -4.00 0.22 -1.04 0.36 -4.55 114.28 101.63 1jkn n THR 146 Ca -0.20 -0.33 -0.21 0.00 -2.04 0.00 0.00 64.05 61.27 1jkn n THR 146 Cb 1.09 -0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 68.86 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 -2.30 4.59 0.32 12.58 0.11 -1.26 -4.88 120.40 129.56 1jkn s VAL 147 Ca 0.59 -1.24 0.09 0.00 -2.93 0.00 0.00 61.98 58.49 1jkn s VAL 147 Cb -0.16 -3.53 0.31 0.00 -1.53 0.00 0.00 36.38 31.47 1jkn s VAL 147 CO 0.66 -0.31 1.71 -0.33 -3.33 0.00 0.00 175.10 173.49 1jkn h GLU 148 N 1.33 0.48 -0.20 1.54 5.08 -1.95 0.79 114.58 121.65 1jkn h GLU 148 Ca -0.49 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1jkn h GLU 148 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1jkn h GLU 148 CO 0.60 0.32 0.00 1.97 -1.00 0.00 0.00 179.01 180.90 1jkn n PHE 149 N -4.95 0.26 -0.46 4.33 1.16 -1.26 -3.54 117.46 113.00 1jkn n PHE 149 Ca 0.27 -0.13 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 1jkn n PHE 149 Cb 0.77 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.64 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 0.10 0.13 0.31 3.97 5.02 0.24 -4.53 118.16 123.40 1jkn n LYS 150 Ca 0.10 -0.19 -0.12 0.00 -2.02 0.00 0.00 58.31 56.08 1jkn n LYS 150 Cb 0.21 -0.65 -0.06 0.00 -0.02 0.00 0.00 35.03 34.51 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 -0.76 -0.89 1.97 1.57 -0.50 -2.21 116.57 115.75 1jkn h LYS 151 Ca 0.00 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1jkn h LYS 151 Cb 0.23 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 1jkn h LYS 151 CO 0.00 -0.51 0.56 -1.00 -0.57 0.00 0.00 179.45 177.93 1jkn h PRO 152 N -0.93 0.98 0.00 3.15 0.13 -1.87 0.43 132.00 133.89 1jkn h PRO 152 Ca -0.08 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1jkn h PRO 152 Cb 0.61 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 1jkn h PRO 152 CO 0.13 0.65 -0.02 0.28 -0.23 0.00 0.00 178.00 178.81 1jkn h VAL 153 N 1.01 0.69 0.00 1.56 2.07 -1.86 -1.44 116.25 118.29 1jkn h VAL 153 Ca 0.39 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.70 1jkn h VAL 153 Cb 0.17 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1jkn h VAL 153 CO -0.17 0.02 -0.98 -1.22 0.02 0.00 0.00 177.57 175.23 1jkn n TYR 154 N -4.05 0.87 -0.34 1.57 4.02 -0.28 -3.74 117.16 115.21 1jkn n TYR 154 Ca -0.03 0.38 0.30 0.00 -0.01 0.00 0.00 57.90 58.54 1jkn n TYR 154 Cb 0.11 -0.92 0.63 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 0.18 -0.28 -0.72 1.57 -0.14 0.60 116.57 116.78 1jkn h LYS 155 Ca -0.19 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1jkn h LYS 155 Cb 0.95 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1jkn h LYS 155 CO -0.12 0.12 -0.10 1.49 -0.57 0.00 0.00 179.45 180.27 1jkn h GLU 156 N 0.19 0.56 -0.08 3.15 4.57 -1.43 0.39 114.58 121.93 1jkn h GLU 156 Ca 0.60 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1jkn h GLU 156 Cb 1.95 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.52 1jkn h GLU 156 CO -0.18 0.79 0.04 0.28 -1.18 0.00 0.00 179.01 178.76 1jkn h VAL 157 N 0.31 1.08 -0.13 0.32 2.07 0.01 -0.58 116.25 119.33 1jkn h VAL 157 Ca 0.07 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1jkn h VAL 157 Cb 0.60 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1jkn h VAL 157 CO 0.03 0.07 0.06 -0.07 0.02 0.00 0.00 177.57 177.68 1jkn h LEU 158 N 0.04 0.18 -0.64 2.57 3.38 -1.00 -1.24 115.31 118.60 1jkn h LEU 158 Ca 0.03 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 57.99 1jkn h LEU 158 Cb 0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 1jkn h LEU 158 CO -0.00 0.27 0.05 0.28 0.09 0.00 0.00 178.44 179.13 1jkn h SER 159 N 0.07 -0.18 0.70 -0.43 0.02 -0.02 1.76 113.55 115.47 1jkn h SER 159 Ca 0.04 0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1jkn h SER 159 Cb 0.15 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1jkn h SER 159 CO -0.00 -0.09 -0.23 0.58 -1.14 0.00 0.00 176.83 175.95 1jkn h VAL 160 N 0.16 0.66 -0.16 2.27 2.07 -0.87 -2.70 116.25 117.69 1jkn h VAL 160 Ca 0.34 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1jkn h VAL 160 Cb 0.56 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1jkn h VAL 160 CO -0.51 0.23 0.00 0.49 0.02 0.00 0.00 177.57 177.79 1jkn n PHE 161 N -3.54 0.19 0.00 1.57 3.72 0.16 -4.56 117.46 115.00 1jkn n PHE 161 Ca -0.01 -0.10 -0.10 0.00 -0.05 0.00 0.00 57.45 57.19 1jkn n PHE 161 Cb 0.38 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 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 4.51 -0.32 -0.04 4.37 0.00 0.27 0.08 119.26 128.13 1jkn h ALA 162 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jkn h ALA 162 Cb 0.97 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1jkn h ALA 162 CO 0.00 -0.76 0.24 -1.00 0.00 0.00 0.00 179.25 177.73 1jkn h PRO 163 N -0.37 0.00 0.00 0.00 0.13 -1.80 0.31 132.00 130.27 1jkn h PRO 163 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 1jkn h PRO 163 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1jkn h PRO 163 CO -0.34 0.00 -1.03 0.45 -0.23 0.00 0.00 178.00 176.85 1jkn h HIS 164 N 0.00 0.00 0.00 1.56 3.86 -1.32 -3.54 115.15 115.70 1jkn h HIS 164 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1jkn h HIS 164 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1jkn h HIS 164 CO 0.00 0.12 0.00 1.47 0.86 0.00 0.00 177.93 180.38