#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 -0.67 -1.66 1.61 -0.04 -1.26 -5.02 135.00 127.96 1jkn n PRO 2 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1jkn n PRO 2 Cb 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.51 1jkn n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jkn s LEU 3 N 0.00 3.02 0.00 1.53 2.01 -1.26 -4.28 118.68 119.70 1jkn s LEU 3 Ca 0.00 1.46 0.00 0.00 0.01 0.00 0.00 54.13 55.60 1jkn s LEU 3 Cb 0.00 -4.32 0.00 0.00 0.01 0.00 0.00 46.19 41.88 1jkn s LEU 3 CO 0.00 -1.42 0.00 0.61 1.01 0.00 0.00 176.35 176.55 1jkn n GLY 4 N -2.27 0.91 3.53 -3.19 0.00 -1.26 -4.85 105.19 98.05 1jkn n GLY 4 Ca 0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.58 -0.82 0.00 1.61 1.04 -1.25 -4.66 113.70 107.03 1jkn s SER 5 Ca 0.00 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1jkn s SER 5 Cb 0.00 1.89 0.00 0.00 0.10 0.00 0.00 66.02 68.01 1jkn s SER 5 CO 0.00 -0.16 0.00 0.23 0.98 0.00 0.00 173.24 174.29 1jkn n MET 6 N 5.06 1.60 -1.41 4.02 2.81 -0.63 -4.96 117.12 123.61 1jkn n MET 6 Ca -0.11 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.67 1jkn n MET 6 Cb 0.52 -0.94 -0.04 0.00 -0.71 0.00 0.00 33.22 32.05 1jkn n MET 6 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1jkn n ASP 7 N -2.11 -4.23 0.00 7.83 9.92 -1.26 -4.87 116.55 121.82 1jkn n ASP 7 Ca 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1jkn n ASP 7 Cb 0.44 -2.77 0.00 0.00 -0.64 0.00 0.00 41.12 38.14 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 0.21 0.00 -4.60 -2.24 7.64 -1.26 -4.88 113.62 108.49 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 0.38 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.06 3.19 0.64 1.43 0.04 -1.26 -4.88 135.00 134.10 1jkn s PRO 9 Ca 0.00 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1jkn s PRO 9 Cb 0.00 -4.29 0.15 0.00 0.04 0.00 0.00 34.50 30.40 1jkn s PRO 9 CO 0.00 -2.03 0.81 -2.30 0.04 0.00 0.00 177.00 173.52 1jkn n PRO 10 N 8.61 -1.09 -3.21 0.56 -0.02 -1.26 -5.07 135.00 133.52 1jkn n PRO 10 Ca 0.26 -1.26 -0.30 0.00 -2.02 0.00 0.00 63.50 60.19 1jkn n PRO 10 Cb 0.46 -0.89 -0.04 0.00 -0.02 0.00 0.00 33.50 33.02 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 -4.78 3.70 0.00 -0.52 0.41 -1.26 -4.20 118.70 112.04 1jkn s GLU 11 Ca 0.47 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 55.21 1jkn s GLU 11 Cb -0.02 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1jkn s GLU 11 CO 0.33 0.16 0.00 0.41 -0.49 0.00 0.00 175.26 175.67 1jkn n GLY 12 N -0.91 2.92 3.77 -1.39 0.00 -1.26 -5.02 105.19 103.31 1jkn n GLY 12 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.51 3.37 0.41 1.61 2.02 -1.26 -2.42 117.35 118.57 1jkn s TYR 13 Ca 0.00 0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.90 1jkn s TYR 13 Cb 0.00 -1.87 -0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1jkn s TYR 13 CO 0.00 0.59 0.85 0.50 -1.57 0.00 0.00 175.55 175.91 1jkn s ARG 14 N -0.90 3.98 0.19 -0.62 3.52 -1.25 -4.64 118.95 119.23 1jkn s ARG 14 Ca 0.14 0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 56.20 1jkn s ARG 14 Cb -0.12 -2.30 -0.10 0.00 -1.56 0.00 0.00 34.95 30.87 1jkn s ARG 14 CO 0.03 -0.03 1.50 1.03 -0.81 0.00 0.00 175.30 177.02 1jkn s ARG 15 N -3.50 4.24 0.11 5.12 1.81 -1.26 -2.88 118.95 122.60 1jkn s ARG 15 Ca 0.56 2.31 -0.15 0.00 -1.72 0.00 0.00 55.73 56.73 1jkn s ARG 15 Cb -0.10 -3.15 0.03 0.00 -0.45 0.00 0.00 34.95 31.28 1jkn s ARG 15 CO 0.23 -0.53 0.37 -0.80 -0.68 0.00 0.00 175.30 173.89 1jkn s ASN 16 N 0.88 -0.18 -0.06 0.23 -0.87 -1.18 -1.99 114.94 111.77 1jkn s ASN 16 Ca 0.66 -0.33 0.01 0.00 -1.57 0.00 0.00 52.86 51.63 1jkn s ASN 16 Cb -0.42 0.44 0.02 0.00 -0.02 0.00 0.00 41.25 41.27 1jkn s ASN 16 CO 0.35 -0.81 -0.07 0.68 -2.57 0.00 0.00 177.10 174.69 1jkn s VAL 17 N -3.63 0.75 -0.01 1.60 -7.23 0.17 -3.03 120.40 109.02 1jkn s VAL 17 Ca 0.02 -0.22 -0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1jkn s VAL 17 Cb 0.02 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 1jkn s VAL 17 CO -0.11 0.28 0.24 -0.83 -0.31 0.00 0.00 175.10 174.38 1jkn s GLY 18 N 1.04 2.23 -0.32 2.32 0.00 -1.23 -1.91 107.32 109.44 1jkn s GLY 18 Ca -0.09 -0.61 0.03 0.00 0.00 0.00 0.00 44.72 44.06 1jkn s GLY 18 CO -0.00 -0.43 0.02 -0.42 0.00 0.00 0.00 173.10 172.27 1jkn s ILE 19 N -1.28 2.15 -0.49 0.90 1.09 -0.80 0.02 121.20 122.78 1jkn s ILE 19 Ca 0.26 -2.13 -0.22 0.00 -1.10 0.00 0.00 60.65 57.47 1jkn s ILE 19 Cb -0.13 -2.52 0.04 0.00 -1.06 0.00 0.00 42.46 38.79 1jkn s ILE 19 CO 0.15 -0.49 0.77 0.00 -0.10 0.00 0.00 174.94 175.28 1jkn s LEU 21 N 3.26 4.04 0.15 0.00 2.96 -1.26 0.25 118.68 128.08 1jkn s LEU 21 Ca 0.25 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.45 1jkn s LEU 21 Cb -0.14 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 1jkn s LEU 21 CO 0.18 0.29 -0.13 0.00 -1.32 0.00 0.00 176.35 175.37 1jkn s MET 22 N -1.67 1.12 0.42 1.98 0.23 0.79 0.98 119.30 123.15 1jkn s MET 22 Ca 0.23 -1.39 0.08 0.00 -1.03 0.00 0.00 55.69 53.57 1jkn s MET 22 Cb -0.12 -0.90 -0.00 0.00 -1.53 0.00 0.00 34.83 32.27 1jkn s MET 22 CO 0.13 0.15 0.47 0.54 -2.03 0.00 0.00 175.02 174.29 1jkn s ASN 23 N -2.88 5.30 0.54 -1.18 4.22 -0.74 -1.73 114.94 118.48 1jkn s ASN 23 Ca 0.15 -0.62 0.28 0.00 -2.14 0.00 0.00 52.86 50.52 1jkn s ASN 23 Cb -0.02 -0.57 1.50 0.00 1.28 0.00 0.00 41.25 43.45 1jkn s ASN 23 CO 0.03 -0.72 1.82 0.78 -2.04 0.00 0.00 177.10 176.97 1jkn h ASN 24 N 0.84 0.00 -0.16 3.54 2.35 -1.92 0.64 115.58 120.88 1jkn h ASN 24 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1jkn h ASN 24 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1jkn h ASN 24 CO 0.52 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.77 1jkn n ASP 25 N -2.65 1.54 -1.05 5.81 9.92 -1.26 -4.90 116.55 123.96 1jkn n ASP 25 Ca -0.02 -1.69 -0.10 0.00 -0.53 0.00 0.00 54.79 52.45 1jkn n ASP 25 Cb 0.27 -0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 40.63 1jkn n ASP 25 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1jkn n LYS 26 N 0.24 -0.77 -2.84 -1.24 5.02 0.22 -5.03 118.16 113.77 1jkn n LYS 26 Ca 0.16 0.56 -0.20 0.00 -2.02 0.00 0.00 58.31 56.81 1jkn n LYS 26 Cb 0.31 -4.59 0.04 0.00 -0.02 0.00 0.00 35.03 30.77 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 -4.14 2.50 -0.20 1.97 1.02 -1.24 -4.79 119.74 114.86 1jkn s LYS 27 Ca 0.00 -1.14 -0.04 0.00 0.02 0.00 0.00 55.97 54.82 1jkn s LYS 27 Cb 0.00 -2.60 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1jkn s LYS 27 CO 0.00 -0.66 -0.04 0.42 -0.92 0.00 0.00 175.35 174.14 1jkn s ILE 28 N -2.64 3.52 -0.27 2.17 1.09 0.27 -1.79 121.20 123.55 1jkn s ILE 28 Ca 0.58 -0.46 -0.30 0.00 -1.10 0.00 0.00 60.65 59.37 1jkn s ILE 28 Cb -0.09 -2.58 -0.07 0.00 -1.06 0.00 0.00 42.46 38.66 1jkn s ILE 28 CO 0.37 0.45 2.23 0.33 -0.10 0.00 0.00 174.94 178.22 1jkn n PHE 29 N 4.34 1.82 -4.99 3.97 7.35 0.27 -2.95 117.46 127.28 1jkn n PHE 29 Ca -0.18 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.19 1jkn n PHE 29 Cb 0.51 -2.67 -0.15 0.00 0.35 0.00 0.00 39.48 37.53 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 8.21 2.43 -0.06 3.13 0.00 -0.54 -4.69 121.76 130.25 1jkn s ALA 30 Ca 1.04 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1jkn s ALA 30 Cb -0.49 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1jkn s ALA 30 CO 0.39 0.34 -0.17 0.00 0.00 0.00 0.00 175.76 176.32 1jkn s ALA 31 N 0.09 2.53 0.54 0.00 0.00 -0.36 0.42 121.76 124.99 1jkn s ALA 31 Ca -0.08 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 1jkn s ALA 31 Cb -0.15 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1jkn s ALA 31 CO 0.05 0.49 0.93 -1.54 0.00 0.00 0.00 175.76 175.69 1jkn s SER 32 N -0.50 6.34 0.85 0.00 1.04 0.86 -0.33 113.70 121.96 1jkn s SER 32 Ca 0.06 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.66 1jkn s SER 32 Cb -0.12 -2.40 0.10 0.00 0.10 0.00 0.00 66.02 63.71 1jkn s SER 32 CO 0.01 -0.69 1.09 -0.13 0.98 0.00 0.00 173.24 174.50 1jkn s ARG 33 N -4.73 1.64 0.00 4.02 0.52 0.37 -2.40 118.95 118.38 1jkn s ARG 33 Ca 0.53 0.82 0.24 0.00 -0.52 0.00 0.00 55.73 56.80 1jkn s ARG 33 Cb -0.11 -1.85 0.23 0.00 0.52 0.00 0.00 34.95 33.74 1jkn s ARG 33 CO 0.45 -1.97 1.23 1.28 0.02 0.00 0.00 175.30 176.31 1jkn n LEU 34 N -3.70 1.45 0.00 2.53 4.77 -1.11 -3.84 117.00 117.10 1jkn n LEU 34 Ca 0.07 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 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 0.28 -0.04 0.47 -1.33 0.00 0.00 177.39 177.33 1jkn n ASP 35 N -0.55 0.39 -4.06 -1.43 8.00 -1.26 -4.96 116.55 112.68 1jkn n ASP 35 Ca 0.09 -0.06 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 1jkn n ASP 35 Cb 0.40 0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.54 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jkn s ILE 36 N -0.27 2.08 0.20 0.53 1.01 -1.26 -5.10 121.20 118.39 1jkn s ILE 36 Ca 0.00 -1.47 -0.31 0.00 0.00 0.00 0.00 60.65 58.88 1jkn s ILE 36 Cb 0.00 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.23 1jkn s ILE 36 CO 0.00 0.06 1.44 -2.16 0.00 0.00 0.00 174.94 174.28 1jkn s PRO 37 N 1.17 4.28 0.00 2.79 0.04 -1.26 -1.90 135.00 140.12 1jkn s PRO 37 Ca -0.06 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1jkn s PRO 37 Cb -0.19 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1jkn s PRO 37 CO -0.06 -0.44 0.00 -3.47 0.04 0.00 0.00 177.00 173.07 1jkn n ASP 38 N 3.01 -1.00 -4.37 6.66 -0.08 -1.26 -4.97 116.55 114.54 1jkn n ASP 38 Ca 0.09 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.92 1jkn n ASP 38 Cb 0.41 -0.28 -0.04 0.00 2.34 0.00 0.00 41.12 43.55 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 -3.26 3.49 0.26 -1.67 0.00 -0.80 -5.00 121.76 114.79 1jkn s ALA 39 Ca 0.00 -2.43 0.08 0.00 0.00 0.00 0.00 51.96 49.61 1jkn s ALA 39 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1jkn s ALA 39 CO 0.00 -2.40 0.12 -1.58 0.00 0.00 0.00 175.76 171.90 1jkn s TRP 40 N 2.36 2.94 0.12 0.00 0.52 -1.26 0.14 118.94 123.75 1jkn s TRP 40 Ca 0.14 -0.16 -0.26 0.00 0.02 0.00 0.00 56.10 55.84 1jkn s TRP 40 Cb -0.21 -1.33 0.08 0.00 -1.15 0.00 0.00 33.47 30.86 1jkn s TRP 40 CO 0.03 0.55 1.04 1.14 0.02 0.00 0.00 176.95 179.73 1jkn s GLN 41 N -3.78 1.02 0.22 4.98 -2.07 0.55 -4.48 119.66 116.10 1jkn s GLN 41 Ca 0.33 -0.57 0.02 0.00 -1.82 0.00 0.00 55.36 53.31 1jkn s GLN 41 Cb -0.07 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 1jkn s GLN 41 CO 0.23 -0.47 0.38 -1.64 -1.32 0.00 0.00 175.29 172.47 1jkn s MET 42 N -2.99 3.48 0.28 9.60 -1.94 -1.26 -1.23 119.30 125.24 1jkn s MET 42 Ca 0.14 -0.50 -0.29 0.00 -1.71 0.00 0.00 55.69 53.33 1jkn s MET 42 Cb -0.00 -2.85 -0.10 0.00 2.01 0.00 0.00 34.83 33.89 1jkn s MET 42 CO 0.01 0.40 1.29 -1.25 -0.01 0.00 0.00 175.02 175.46 1jkn s PRO 43 N -3.60 4.40 0.08 2.03 0.04 -1.26 -4.98 135.00 131.71 1jkn s PRO 43 Ca 0.37 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 63.34 1jkn s PRO 43 Cb -0.10 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.35 1jkn s PRO 43 CO 0.30 -0.17 0.44 1.14 0.04 0.00 0.00 177.00 178.74 1jkn s GLN 44 N -1.09 1.02 0.01 4.56 1.03 -1.26 -1.91 119.66 122.02 1jkn s GLN 44 Ca 0.52 -0.48 -0.28 0.00 0.04 0.00 0.00 55.36 55.15 1jkn s GLN 44 Cb -0.38 0.45 0.07 0.00 0.03 0.00 0.00 33.01 33.19 1jkn s GLN 44 CO 0.46 -0.38 0.65 0.20 -2.54 0.00 0.00 175.29 173.68 1jkn s GLY 45 N -2.34 -0.59 0.12 2.60 0.00 -0.80 -4.93 107.32 101.38 1jkn s GLY 45 Ca -0.02 1.06 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 1jkn s GLY 45 CO -0.06 0.71 1.23 -0.32 0.00 0.00 0.00 173.10 174.66 1jkn s GLY 46 N -1.66 2.45 0.94 0.20 0.00 -1.26 0.44 107.32 108.42 1jkn s GLY 46 Ca -0.07 0.94 -0.10 0.00 0.00 0.00 0.00 44.72 45.48 1jkn s GLY 46 CO 0.03 2.01 1.13 1.39 0.00 0.00 0.00 173.10 177.66 1jkn n ILE 47 N 3.32 0.00 -3.39 0.90 5.41 -0.84 -4.83 119.36 119.92 1jkn n ILE 47 Ca 0.07 -0.03 -0.32 0.00 1.00 0.00 0.00 62.75 63.47 1jkn n ILE 47 Cb 0.45 -0.99 -0.05 0.00 -0.71 0.00 0.00 39.64 38.33 1jkn n ILE 47 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1jkn s ASP 48 N -2.61 6.65 -0.73 4.38 1.11 -1.26 -4.90 116.67 119.30 1jkn s ASP 48 Ca 0.67 0.96 -0.27 0.00 0.18 0.00 0.00 52.55 54.08 1jkn s ASP 48 Cb -0.23 -2.24 -0.15 0.00 1.07 0.00 0.00 42.92 41.37 1jkn s ASP 48 CO 0.59 -0.07 2.52 -0.62 1.18 0.00 0.00 175.17 178.76 1jkn n GLU 49 N -0.10 0.55 -2.13 8.23 -0.58 -1.26 0.27 120.64 125.63 1jkn n GLU 49 Ca 0.00 -0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1jkn n GLU 49 Cb 0.52 -2.58 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 1jkn n GLU 49 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jkn n GLY 50 N 6.23 0.94 3.52 0.62 0.00 -1.26 -5.07 105.19 110.16 1jkn n GLY 50 Ca 0.51 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.27 2.17 0.29 1.61 2.56 0.14 -5.11 118.70 116.09 1jkn s GLU 51 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 54.97 53.73 1jkn s GLU 51 Cb 0.00 -2.28 -0.10 0.00 2.00 0.00 0.00 34.13 33.75 1jkn s GLU 51 CO 0.00 0.54 1.14 -0.51 -0.56 0.00 0.00 175.26 175.87 1jkn s ASP 52 N -1.68 7.17 0.13 -1.70 1.11 -1.26 -4.71 116.67 115.73 1jkn s ASP 52 Ca 0.17 2.35 -0.23 0.00 0.18 0.00 0.00 52.55 55.01 1jkn s ASP 52 Cb -0.11 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 1jkn s ASP 52 CO 0.08 -0.22 1.66 -0.65 1.18 0.00 0.00 175.17 177.22 1jkn h PRO 53 N 3.79 -0.24 0.00 8.23 0.11 -1.97 0.69 132.00 142.60 1jkn h PRO 53 Ca -0.47 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1jkn h PRO 53 Cb 1.21 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jkn h PRO 53 CO 0.67 -0.16 -0.08 -0.09 -0.21 0.00 0.00 178.00 178.13 1jkn h ARG 54 N -0.25 0.00 0.02 1.05 2.43 -1.93 -1.10 114.38 114.60 1jkn h ARG 54 Ca 0.08 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 1jkn h ARG 54 Cb 0.37 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1jkn h ARG 54 CO -0.23 0.08 -0.72 -0.91 -1.51 0.00 0.00 179.97 176.67 1jkn h ASN 55 N 0.00 0.07 -0.08 -3.80 2.35 -1.65 -2.86 115.58 109.61 1jkn h ASN 55 Ca -0.00 -0.79 0.02 0.00 -0.55 0.00 0.00 56.30 54.99 1jkn h ASN 55 Cb 0.21 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1jkn h ASN 55 CO 0.01 1.30 0.07 0.00 -1.65 0.00 0.00 177.43 177.15 1jkn h ALA 56 N -0.19 1.92 0.00 -0.83 0.00 0.51 -0.47 119.26 120.19 1jkn h ALA 56 Ca -0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jkn h ALA 56 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jkn h ALA 56 CO -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 179.25 179.07 1jkn h ALA 57 N 1.94 -0.01 -0.26 0.00 0.00 -1.31 0.38 119.26 120.01 1jkn h ALA 57 Ca 0.04 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1jkn h ALA 57 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jkn h ALA 57 CO -0.00 -0.11 0.19 0.82 0.00 0.00 0.00 179.25 180.15 1jkn h ILE 58 N -0.78 0.81 0.00 0.00 2.04 -1.16 0.30 117.51 118.71 1jkn h ILE 58 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1jkn h ILE 58 Cb 0.77 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1jkn h ILE 58 CO 0.00 0.00 -0.28 -0.09 0.00 0.00 0.00 178.15 177.78 1jkn h ARG 59 N 0.00 0.00 -0.86 2.37 2.43 -1.09 -3.29 114.38 113.93 1jkn h ARG 59 Ca 0.12 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.43 1jkn h ARG 59 Cb 0.51 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.97 1jkn h ARG 59 CO -0.00 0.69 0.46 0.93 -1.51 0.00 0.00 179.97 180.53 1jkn h GLU 60 N -1.00 0.64 0.23 0.20 4.39 0.30 -1.69 114.58 117.65 1jkn h GLU 60 Ca -0.07 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1jkn h GLU 60 Cb 0.79 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1jkn h GLU 60 CO -0.04 0.43 -0.23 1.25 -1.16 0.00 0.00 179.01 179.25 1jkn h LEU 61 N 0.66 -0.63 -0.96 1.33 5.85 -0.58 0.49 115.31 121.47 1jkn h LEU 61 Ca 0.46 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.24 1jkn h LEU 61 Cb 0.62 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1jkn h LEU 61 CO -0.34 -0.34 0.00 -1.14 -0.34 0.00 0.00 178.44 176.27 1jkn n ARG 62 N -5.36 0.11 -0.04 1.25 0.63 -0.85 0.88 116.66 113.28 1jkn n ARG 62 Ca -0.08 0.56 -0.22 0.00 -0.92 0.00 0.00 57.85 57.19 1jkn n ARG 62 Cb 0.27 -1.83 -0.13 0.00 0.45 0.00 0.00 32.46 31.22 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 -2.06 0.69 0.02 -0.14 -0.58 0.21 -2.37 120.64 116.42 1jkn n GLU 63 Ca -0.00 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1jkn n GLU 63 Cb 0.06 -1.68 -0.09 0.00 -0.57 0.00 0.00 31.44 29.16 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 -3.70 0.63 -0.00 3.49 -0.58 0.15 -3.51 120.64 117.11 1jkn n GLU 64 Ca -0.35 0.19 0.01 0.00 -0.42 0.00 0.00 57.16 56.59 1jkn n GLU 64 Cb 0.95 -1.78 -0.02 0.00 -0.57 0.00 0.00 31.44 30.03 1jkn n GLU 64 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1jkn n THR 65 N -2.85 0.01 -0.93 2.62 -2.24 0.25 -4.48 114.28 106.66 1jkn n THR 65 Ca -0.11 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1jkn n THR 65 Cb 0.84 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 2.39 0.40 3.64 3.38 0.00 -0.65 0.12 105.19 114.47 1jkn n GLY 66 Ca -0.01 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 -2.01 3.86 -0.18 1.61 1.01 -1.24 -4.30 120.40 119.15 1jkn s VAL 67 Ca 0.00 1.00 0.06 0.00 0.00 0.00 0.00 61.98 63.04 1jkn s VAL 67 Cb 0.00 -3.77 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 1jkn s VAL 67 CO 0.00 -0.23 0.13 0.35 0.00 0.00 0.00 175.10 175.35 1jkn n THR 68 N 5.94 1.55 -2.89 3.92 -2.24 -1.26 -4.00 114.28 115.31 1jkn n THR 68 Ca 0.17 -0.70 -0.44 0.00 -2.27 0.00 0.00 64.05 60.81 1jkn n THR 68 Cb 0.45 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 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 -3.14 5.24 -3.71 3.42 7.64 -1.26 -4.91 113.62 116.89 1jkn n SER 69 Ca -0.35 -3.00 -0.11 0.00 1.01 0.00 0.00 58.87 56.42 1jkn n SER 69 Cb 1.06 -1.55 -0.12 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.20 -0.85 0.11 -0.43 0.00 -1.26 0.96 121.76 121.48 1jkn s ALA 70 Ca 0.42 1.31 0.10 0.00 0.00 0.00 0.00 51.96 53.79 1jkn s ALA 70 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1jkn s ALA 70 CO -0.00 -0.27 -0.24 -1.83 0.00 0.00 0.00 175.76 173.43 1jkn s GLU 71 N 1.41 1.60 -0.14 0.00 -1.05 -0.75 -4.88 118.70 114.89 1jkn s GLU 71 Ca -0.09 -1.25 -0.29 0.00 -0.15 0.00 0.00 54.97 53.19 1jkn s GLU 71 Cb -0.09 -1.99 -0.01 0.00 -0.44 0.00 0.00 34.13 31.60 1jkn s GLU 71 CO -0.11 0.47 1.04 0.08 0.95 0.00 0.00 175.26 177.69 1jkn s VAL 72 N -1.04 4.70 -0.02 1.83 1.01 -1.26 0.14 120.40 125.76 1jkn s VAL 72 Ca 0.15 2.00 0.15 0.00 0.00 0.00 0.00 61.98 64.28 1jkn s VAL 72 Cb -0.10 -4.28 -0.23 0.00 0.00 0.00 0.00 36.38 31.76 1jkn s VAL 72 CO 0.07 -0.06 0.33 -0.38 0.00 0.00 0.00 175.10 175.06 1jkn n ILE 73 N 4.81 0.02 -3.61 2.22 2.08 -0.65 -4.89 119.36 119.34 1jkn n ILE 73 Ca 0.10 -0.35 -0.11 0.00 0.56 0.00 0.00 62.75 62.95 1jkn n ILE 73 Cb 0.48 0.14 -0.04 0.00 -0.75 0.00 0.00 39.64 39.46 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 -3.04 -1.04 -0.17 -1.39 0.00 -1.23 -4.97 121.76 109.91 1jkn s ALA 74 Ca -0.06 0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 1jkn s ALA 74 Cb 0.10 0.68 0.09 0.00 0.00 0.00 0.00 23.12 23.98 1jkn s ALA 74 CO 0.63 -0.64 0.31 -1.83 0.00 0.00 0.00 175.76 174.24 1jkn s GLU 75 N -3.63 0.23 0.11 0.00 -1.05 -1.26 0.11 118.70 113.20 1jkn s GLU 75 Ca 0.02 0.72 -0.33 0.00 -0.15 0.00 0.00 54.97 55.22 1jkn s GLU 75 Cb 0.01 -0.16 -0.12 0.00 -0.44 0.00 0.00 34.13 33.41 1jkn s GLU 75 CO -0.11 -0.38 1.73 0.28 0.95 0.00 0.00 175.26 177.73 1jkn n VAL 76 N 5.36 0.22 0.32 1.83 0.31 -0.84 -4.85 118.33 120.68 1jkn n VAL 76 Ca -0.06 -0.04 0.21 0.00 -0.01 0.00 0.00 64.34 64.44 1jkn n VAL 76 Cb 0.50 -1.84 1.05 0.00 -0.91 0.00 0.00 33.84 32.64 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 7.44 0.00 0.00 5.55 0.13 -1.98 -3.45 132.00 139.69 1jkn h PRO 77 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.14 1jkn h PRO 77 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1jkn h PRO 77 CO 0.93 0.00 -0.40 2.48 -0.23 0.00 0.00 178.00 180.78 1jkn n TYR 78 N -3.05 0.78 -4.24 1.56 0.18 -1.26 -4.79 117.16 106.34 1jkn n TYR 78 Ca -0.02 -2.11 -0.32 0.00 1.88 0.00 0.00 57.90 57.34 1jkn n TYR 78 Cb 0.14 -0.22 -0.09 0.00 -0.38 0.00 0.00 39.34 38.79 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 -2.60 3.02 -0.25 -3.48 0.52 -1.26 -4.61 118.94 110.29 1jkn s TRP 79 Ca 0.04 0.03 -0.04 0.00 0.02 0.00 0.00 56.10 56.15 1jkn s TRP 79 Cb 0.00 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.71 1jkn s TRP 79 CO 0.03 0.46 -0.01 -0.51 0.02 0.00 0.00 176.95 176.93 1jkn s LEU 80 N -1.84 3.21 -0.13 2.99 1.43 0.15 -1.61 118.68 122.88 1jkn s LEU 80 Ca 0.22 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1jkn s LEU 80 Cb -0.12 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1jkn s LEU 80 CO 0.13 -0.09 -0.09 0.42 0.23 0.00 0.00 176.35 176.96 1jkn s THR 81 N 1.45 3.48 0.18 5.49 -4.23 -1.26 -2.05 115.64 118.70 1jkn s THR 81 Ca 0.04 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 1jkn s THR 81 Cb -0.16 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.16 1jkn s THR 81 CO -0.02 0.53 -0.02 -0.72 -0.54 0.00 0.00 174.62 173.85 1jkn s TYR 82 N 0.13 1.27 0.23 3.99 1.13 -1.21 -4.76 117.35 118.14 1jkn s TYR 82 Ca -0.04 -0.96 0.10 0.00 -1.41 0.00 0.00 57.07 54.76 1jkn s TYR 82 Cb -0.14 -0.72 -0.05 0.00 -1.10 0.00 0.00 41.96 39.95 1jkn s TYR 82 CO 0.04 -0.14 -0.19 -0.51 -2.51 0.00 0.00 175.55 172.24 1jkn s ASP 83 N -3.19 3.20 0.11 -0.18 1.01 -1.26 -2.28 116.67 114.08 1jkn s ASP 83 Ca 0.23 -0.97 0.07 0.00 0.71 0.00 0.00 52.55 52.59 1jkn s ASP 83 Cb 0.05 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.71 1jkn s ASP 83 CO 0.04 -0.00 -0.09 -0.36 0.21 0.00 0.00 175.17 174.97 1jkn s PHE 84 N -2.39 2.75 1.18 4.23 0.40 -1.25 -4.89 117.98 118.00 1jkn s PHE 84 Ca 0.24 -0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 56.29 1jkn s PHE 84 Cb -0.05 -1.43 0.29 0.00 0.51 0.00 0.00 43.02 42.34 1jkn s PHE 84 CO 0.11 0.44 1.03 -1.25 0.70 0.00 0.00 175.22 176.25 1jkn s PRO 85 N -2.29 -1.00 0.44 0.24 0.04 -1.26 -4.30 135.00 126.86 1jkn s PRO 85 Ca 0.22 0.71 0.30 0.00 0.04 0.00 0.00 61.00 62.27 1jkn s PRO 85 Cb -0.11 -1.55 1.57 0.00 0.04 0.00 0.00 34.50 34.44 1jkn s PRO 85 CO 0.14 -3.75 1.91 -1.00 0.04 0.00 0.00 177.00 174.35 1jkn h PRO 86 N -2.63 0.00 0.10 0.56 0.13 -2.00 0.81 132.00 128.97 1jkn h PRO 86 Ca -0.61 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.16 1jkn h PRO 86 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 1jkn h PRO 86 CO 0.51 0.00 -2.05 0.36 -0.23 0.00 0.00 178.00 176.59 1jkn n LYS 87 N -2.57 0.74 0.00 0.86 2.85 -1.26 -3.02 118.16 115.75 1jkn n LYS 87 Ca -0.01 0.25 -0.17 0.00 -1.05 0.00 0.00 58.31 57.32 1jkn n LYS 87 Cb 0.09 -1.69 -0.13 0.00 -0.65 0.00 0.00 35.03 32.65 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 0.06 1.57 -0.37 0.58 2.07 -1.74 -1.63 116.25 116.79 1jkn h VAL 88 Ca -0.44 -2.30 0.01 0.00 0.82 0.00 0.00 66.70 64.80 1jkn h VAL 88 Cb 2.02 3.06 -0.02 0.00 -1.52 0.00 0.00 31.29 34.83 1jkn h VAL 88 CO 0.07 0.64 0.22 -0.09 0.02 0.00 0.00 177.57 178.43 1jkn h ARG 89 N -0.50 0.44 0.00 1.57 2.43 0.43 0.77 114.38 119.53 1jkn h ARG 89 Ca -0.08 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1jkn h ARG 89 Cb 1.31 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1jkn h ARG 89 CO 0.09 0.29 -0.29 1.49 -1.51 0.00 0.00 179.97 180.04 1jkn h GLU 90 N 0.46 0.00 0.04 0.20 4.81 -1.63 -1.68 114.58 116.77 1jkn h GLU 90 Ca 0.14 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 1jkn h GLU 90 Cb -0.01 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.38 1jkn h GLU 90 CO -0.06 0.29 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.94 1jkn h LYS 91 N 0.00 0.18 -0.47 1.92 3.11 -0.21 -3.33 116.57 117.76 1jkn h LYS 91 Ca -0.00 -0.24 0.03 0.00 -2.81 0.00 0.00 60.65 57.63 1jkn h LYS 91 Cb 0.54 0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.82 1jkn h LYS 91 CO 0.04 1.03 0.26 -0.07 -2.81 0.00 0.00 179.45 177.90 1jkn h LEU 92 N -0.57 0.39 -1.88 5.20 3.38 0.64 0.34 115.31 122.81 1jkn h LEU 92 Ca -0.05 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.34 1jkn h LEU 92 Cb 1.19 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 1jkn h LEU 92 CO 0.07 0.28 0.98 0.78 0.09 0.00 0.00 178.44 180.64 1jkn h ASN 93 N 0.51 0.07 0.00 -0.43 2.35 -1.40 1.54 115.58 118.21 1jkn h ASN 93 Ca 0.20 0.02 -0.38 0.00 -0.55 0.00 0.00 56.30 55.60 1jkn h ASN 93 Cb 0.07 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 1jkn h ASN 93 CO -0.12 -0.01 -2.06 -0.38 -1.65 0.00 0.00 177.43 173.21 1jkn n ILE 94 N -4.21 1.53 0.24 2.81 5.41 -0.41 -2.73 119.36 122.00 1jkn n ILE 94 Ca 0.31 -0.25 -0.14 0.00 1.00 0.00 0.00 62.75 63.68 1jkn n ILE 94 Cb 1.43 -1.95 -0.08 0.00 -0.71 0.00 0.00 39.64 38.33 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 -1.00 -0.59 0.08 0.38 4.15 0.57 -3.29 115.11 115.41 1jkn h GLN 95 Ca -0.57 0.04 -0.25 0.00 0.77 0.00 0.00 58.65 58.64 1jkn h GLN 95 Cb 1.49 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.32 1jkn h GLN 95 CO -0.34 -0.29 -1.12 -1.49 -1.93 0.00 0.00 178.83 173.66 1jkn h TRP 96 N -0.91 0.48 -0.42 3.99 4.06 0.18 -3.48 115.95 119.85 1jkn h TRP 96 Ca -0.06 -0.32 0.00 0.00 2.06 0.00 0.00 58.89 60.57 1jkn h TRP 96 Cb 0.58 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1jkn h TRP 96 CO 0.01 1.20 0.00 0.41 -3.56 0.00 0.00 178.44 176.50 1jkn n GLY 97 N 1.31 0.68 3.29 1.49 0.00 0.72 -4.98 105.19 107.69 1jkn n GLY 97 Ca -0.07 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.95 2.66 -0.42 1.61 0.01 -1.24 -4.98 113.70 108.40 1jkn s SER 98 Ca 0.00 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 56.69 1jkn s SER 98 Cb 0.00 -0.19 0.46 0.00 0.21 0.00 0.00 66.02 66.50 1jkn s SER 98 CO 0.00 0.14 1.49 -0.90 0.41 0.00 0.00 173.24 174.38 1jkn n ASP 99 N 1.47 5.69 -4.91 2.44 5.68 -1.26 -3.79 116.55 121.87 1jkn n ASP 99 Ca -0.18 -3.77 -0.31 0.00 -0.50 0.00 0.00 54.79 50.03 1jkn n ASP 99 Cb 0.53 -0.58 -0.04 0.00 -1.14 0.00 0.00 41.12 39.89 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 -3.65 3.49 0.28 2.11 0.52 -1.26 -5.00 118.94 115.42 1jkn s TRP 100 Ca 0.55 0.42 0.08 0.00 0.02 0.00 0.00 56.10 57.18 1jkn s TRP 100 Cb 0.44 -1.90 0.38 0.00 -1.15 0.00 0.00 33.47 31.24 1jkn s TRP 100 CO 0.02 0.50 1.63 0.87 0.02 0.00 0.00 176.95 179.99 1jkn h LYS 101 N 2.90 0.10 0.00 4.98 6.56 -1.87 -3.48 116.57 125.76 1jkn h LYS 101 Ca -0.46 -0.06 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 0.74 0.63 0.00 0.41 -2.06 0.00 0.00 179.45 179.17 1jkn n GLY 102 N 0.11 3.58 3.29 3.86 0.00 -1.26 -3.89 105.19 110.88 1jkn n GLY 102 Ca -0.02 -0.24 -0.01 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 4.09 0.51 -0.50 1.61 -1.52 -0.96 -3.80 119.66 119.09 1jkn s GLN 103 Ca 0.00 1.08 -0.19 0.00 -1.95 0.00 0.00 55.36 54.30 1jkn s GLN 103 Cb 0.00 0.47 0.06 0.00 -0.22 0.00 0.00 33.01 33.32 1jkn s GLN 103 CO 0.00 -0.44 0.61 0.00 -0.25 0.00 0.00 175.29 175.21 1jkn s ALA 104 N 2.79 3.40 0.16 6.09 0.00 -1.14 -3.32 121.76 129.74 1jkn s ALA 104 Ca 0.08 -1.73 0.07 0.00 0.00 0.00 0.00 51.96 50.38 1jkn s ALA 104 Cb -0.14 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1jkn s ALA 104 CO -0.18 -1.97 -0.15 1.14 0.00 0.00 0.00 175.76 174.60 1jkn s GLN 105 N 2.57 1.16 -0.51 0.00 -2.07 -0.87 -3.08 119.66 116.87 1jkn s GLN 105 Ca 0.15 -1.39 -0.08 0.00 -1.82 0.00 0.00 55.36 52.22 1jkn s GLN 105 Cb -0.19 -1.04 0.13 0.00 -1.09 0.00 0.00 33.01 30.82 1jkn s GLN 105 CO 0.12 0.19 0.37 0.15 -1.32 0.00 0.00 175.29 174.80 1jkn s LYS 106 N -3.04 2.50 0.39 9.60 -0.14 -1.17 0.32 119.74 128.19 1jkn s LYS 106 Ca 0.15 -1.94 -0.27 0.00 -1.36 0.00 0.00 55.97 52.55 1jkn s LYS 106 Cb -0.03 -3.89 -0.09 0.00 -1.68 0.00 0.00 37.83 32.14 1jkn s LYS 106 CO 0.05 -1.18 1.31 -1.58 -0.76 0.00 0.00 175.35 173.19 1jkn s TRP 107 N 1.04 2.86 -0.03 3.18 0.52 -1.26 -3.51 118.94 121.73 1jkn s TRP 107 Ca 0.09 1.40 0.05 0.00 0.02 0.00 0.00 56.10 57.65 1jkn s TRP 107 Cb -0.24 -3.69 -0.01 0.00 -1.15 0.00 0.00 33.47 28.39 1jkn s TRP 107 CO -0.02 -2.08 -0.18 -0.06 0.02 0.00 0.00 176.95 174.62 1jkn s PHE 108 N -1.23 1.73 0.36 -1.98 0.40 0.10 -1.98 117.98 115.38 1jkn s PHE 108 Ca 0.55 -0.43 -0.24 0.00 -0.60 0.00 0.00 56.93 56.21 1jkn s PHE 108 Cb -0.39 -1.14 -0.10 0.00 0.51 0.00 0.00 43.02 41.90 1jkn s PHE 108 CO 0.50 -0.11 0.96 -1.17 0.70 0.00 0.00 175.22 176.10 1jkn s LEU 109 N -0.17 4.21 -0.03 -0.37 2.96 0.29 0.11 118.68 125.68 1jkn s LEU 109 Ca 0.01 1.81 -0.00 0.00 -0.22 0.00 0.00 54.13 55.73 1jkn s LEU 109 Cb -0.10 -4.18 0.03 0.00 0.50 0.00 0.00 46.19 42.44 1jkn s LEU 109 CO 0.01 -0.19 0.02 -0.36 -1.32 0.00 0.00 176.35 174.51 1jkn s PHE 110 N -1.78 0.15 -0.25 5.38 0.40 0.68 -1.63 117.98 120.92 1jkn s PHE 110 Ca 0.54 0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.79 1jkn s PHE 110 Cb -0.16 -0.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.99 1jkn s PHE 110 CO 0.21 -0.13 0.53 0.21 0.70 0.00 0.00 175.22 176.74 1jkn s LYS 111 N 1.28 4.09 0.08 0.44 2.20 0.37 -0.15 119.74 128.04 1jkn s LYS 111 Ca -0.06 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.59 1jkn s LYS 111 Cb -0.13 -3.64 -0.08 0.00 -1.51 0.00 0.00 37.83 32.46 1jkn s LYS 111 CO -0.03 -0.34 1.64 0.12 -0.36 0.00 0.00 175.35 176.38 1jkn s PHE 112 N 2.26 2.49 -0.25 4.03 5.36 -0.70 -1.80 117.98 129.37 1jkn s PHE 112 Ca 0.22 0.36 0.13 0.00 -0.96 0.00 0.00 56.93 56.68 1jkn s PHE 112 Cb -0.16 -3.95 0.46 0.00 -0.34 0.00 0.00 43.02 39.04 1jkn s PHE 112 CO 0.09 -3.78 1.17 0.25 -1.46 0.00 0.00 175.22 171.49 1jkn n THR 113 N 4.65 1.97 -0.97 0.12 -2.24 0.27 -4.79 114.28 113.29 1jkn n THR 113 Ca 0.16 -3.50 0.00 0.00 -2.27 0.00 0.00 64.05 58.43 1jkn n THR 113 Cb 0.40 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 -0.65 5.58 3.28 3.38 0.00 -1.20 -4.76 105.19 110.81 1jkn n GLY 114 Ca 0.28 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 3.54 1.13 0.44 1.61 -0.21 -1.26 -5.00 119.66 119.92 1jkn s GLN 115 Ca 0.00 -1.29 0.15 0.00 0.02 0.00 0.00 55.36 54.23 1jkn s GLN 115 Cb 0.00 -1.13 0.80 0.00 1.00 0.00 0.00 33.01 33.68 1jkn s GLN 115 CO 0.00 0.23 1.36 -0.44 -2.12 0.00 0.00 175.29 174.32 1jkn h ASP 116 N 3.48 0.00 1.63 5.90 3.32 -2.02 0.81 116.42 129.54 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 1.56 -1.72 0.00 0.00 179.24 179.57 1jkn h GLN 117 N 0.00 0.00 0.00 3.56 4.20 -2.03 -3.12 115.11 117.72 1jkn h GLN 117 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1jkn h GLN 117 Cb 0.85 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 1jkn h GLN 117 CO 0.00 0.00 -0.54 1.49 -0.67 0.00 0.00 178.83 179.11 1jkn h GLU 118 N 0.00 0.00 -6.26 1.46 4.57 0.29 -3.43 114.58 111.21 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 0.82 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 1jkn h GLU 118 CO 0.00 0.53 1.19 0.42 -1.18 0.00 0.00 179.01 179.97 1jkn s ILE 119 N -2.94 3.62 -0.44 2.32 1.01 -1.18 -3.68 121.20 119.90 1jkn s ILE 119 Ca 0.04 0.48 0.02 0.00 0.00 0.00 0.00 60.65 61.18 1jkn s ILE 119 Cb 0.08 -4.29 0.12 0.00 0.01 0.00 0.00 42.46 38.37 1jkn s ILE 119 CO 0.75 -1.13 0.19 0.21 0.00 0.00 0.00 174.94 174.97 1jkn s ASN 120 N 5.56 4.80 0.62 3.58 3.04 0.32 -4.95 114.94 127.92 1jkn s ASN 120 Ca 0.57 -2.47 0.31 0.00 0.04 0.00 0.00 52.86 51.30 1jkn s ASN 120 Cb -0.12 -1.70 1.70 0.00 -1.54 0.00 0.00 41.25 39.59 1jkn s ASN 120 CO 0.23 -0.37 2.04 -0.07 -3.04 0.00 0.00 177.10 175.89 1jkn h LEU 121 N 7.30 0.00 0.67 3.21 3.38 -1.78 -1.92 115.31 126.17 1jkn h LEU 121 Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1jkn h LEU 121 Cb 0.98 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1jkn h LEU 121 CO 0.63 0.00 -0.32 -0.07 0.09 0.00 0.00 178.44 178.77 1jkn h LEU 122 N 0.00 -0.76 0.00 1.67 3.38 -1.81 -3.30 115.31 114.49 1jkn h LEU 122 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jkn h LEU 122 Cb 0.63 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1jkn h LEU 122 CO -0.00 -0.47 0.00 0.61 0.09 0.00 0.00 178.44 178.67 1jkn n GLY 123 N -1.14 0.04 1.98 0.83 0.00 -0.75 -3.15 105.19 103.01 1jkn n GLY 123 Ca -0.13 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 43.94 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 6.42 -1.44 1.61 5.68 -1.03 -4.65 116.55 126.14 1jkn n ASP 124 Ca 0.00 -3.23 -0.14 0.00 -0.50 0.00 0.00 54.79 50.93 1jkn n ASP 124 Cb 0.00 -1.00 -0.02 0.00 -1.14 0.00 0.00 41.12 38.96 1jkn n ASP 124 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkn n GLY 125 N -0.05 0.17 0.55 6.12 0.00 -1.26 -4.91 105.19 105.81 1jkn n GLY 125 Ca 0.38 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.51 0.61 -4.80 1.61 2.88 -1.26 -5.08 113.62 107.06 1jkn n SER 126 Ca -0.16 0.09 -0.22 0.00 -1.33 0.00 0.00 58.87 57.26 1jkn n SER 126 Cb 0.58 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.64 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 -1.58 2.57 0.58 -1.46 0.41 -1.26 -5.10 118.70 112.86 1jkn s GLU 127 Ca -0.06 -1.41 -0.19 0.00 -0.41 0.00 0.00 54.97 52.91 1jkn s GLU 127 Cb 0.01 -2.34 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 1jkn s GLU 127 CO 0.08 0.10 1.20 0.15 -0.49 0.00 0.00 175.26 176.30 1jkn s LYS 128 N -3.93 3.05 1.02 1.61 3.01 -1.26 -4.61 119.74 118.63 1jkn s LYS 128 Ca 0.39 1.80 -0.14 0.00 -1.01 0.00 0.00 55.97 57.01 1jkn s LYS 128 Cb -0.04 -1.95 0.17 0.00 -1.01 0.00 0.00 37.83 34.99 1jkn s LYS 128 CO 0.25 -1.13 0.29 -2.30 0.51 0.00 0.00 175.35 172.96 1jkn n PRO 129 N -1.51 -2.26 0.00 -1.68 -0.02 -1.19 -4.88 135.00 123.46 1jkn n PRO 129 Ca 0.13 -0.67 0.00 0.00 -2.02 0.00 0.00 63.50 60.95 1jkn n PRO 129 Cb 0.50 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.81 0.00 -4.15 -0.52 4.71 -1.24 -5.00 120.64 112.62 1jkn n GLU 130 Ca 0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 57.16 56.98 1jkn n GLU 130 Cb 0.38 -0.12 -0.05 0.00 -1.01 0.00 0.00 31.44 30.64 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 -1.52 3.02 -0.06 -0.32 0.08 -1.26 -2.76 117.98 115.16 1jkn s PHE 131 Ca 0.00 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 56.96 1jkn s PHE 131 Cb 0.00 -1.36 -0.06 0.00 -0.57 0.00 0.00 43.02 41.03 1jkn s PHE 131 CO 0.00 0.54 0.12 0.41 -0.10 0.00 0.00 175.22 176.19 1jkn n GLY 132 N -1.08 0.06 3.61 4.36 0.00 -1.01 -4.60 105.19 106.54 1jkn n GLY 132 Ca -0.08 -0.11 -0.11 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 -2.01 1.82 0.03 1.61 8.01 -1.26 -5.00 118.70 121.90 1jkn s GLU 133 Ca -0.01 -1.45 -0.27 0.00 0.01 0.00 0.00 54.97 53.25 1jkn s GLU 133 Cb 0.03 0.50 0.07 0.00 -4.31 0.00 0.00 34.13 30.41 1jkn s GLU 133 CO 0.17 -0.78 0.63 1.67 0.01 0.00 0.00 175.26 176.96 1jkn s TRP 134 N -3.34 -0.59 0.13 1.61 1.48 -1.26 -0.10 118.94 116.87 1jkn s TRP 134 Ca 0.23 0.80 -0.13 0.00 -1.06 0.00 0.00 56.10 55.94 1jkn s TRP 134 Cb -0.02 0.45 0.02 0.00 -1.16 0.00 0.00 33.47 32.76 1jkn s TRP 134 CO 0.13 -0.69 0.34 0.45 -4.06 0.00 0.00 176.95 173.13 1jkn s SER 135 N -1.77 -0.09 -0.23 -2.66 0.15 0.17 -4.96 113.70 104.30 1jkn s SER 135 Ca -0.07 -0.53 -0.15 0.00 0.70 0.00 0.00 55.95 55.90 1jkn s SER 135 Cb -0.00 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1jkn s SER 135 CO 0.01 -0.86 0.39 0.26 1.20 0.00 0.00 173.24 174.24 1jkn s TRP 136 N -3.86 3.32 0.05 3.44 0.52 -1.26 -1.46 118.94 119.69 1jkn s TRP 136 Ca 0.07 0.53 0.02 0.00 0.02 0.00 0.00 56.10 56.74 1jkn s TRP 136 Cb 0.03 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 1jkn s TRP 136 CO -0.08 -0.09 -0.08 0.14 0.02 0.00 0.00 176.95 176.85 1jkn s VAL 137 N 1.61 0.62 0.74 4.03 -7.23 -1.15 -4.87 120.40 114.14 1jkn s VAL 137 Ca 0.17 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 1jkn s VAL 137 Cb -0.15 -0.77 0.04 0.00 0.56 0.00 0.00 36.38 36.06 1jkn s VAL 137 CO 0.08 -0.42 1.09 0.42 -0.31 0.00 0.00 175.10 175.96 1jkn s THR 138 N -1.60 3.46 0.58 5.32 -4.23 -1.26 0.96 115.64 118.86 1jkn s THR 138 Ca -0.07 0.50 0.33 0.00 -1.18 0.00 0.00 61.69 61.27 1jkn s THR 138 Cb -0.08 -3.04 0.33 0.00 1.34 0.00 0.00 72.50 71.05 1jkn s THR 138 CO 0.00 -0.59 2.00 1.55 -0.54 0.00 0.00 174.62 177.04 1jkn h PRO 139 N -0.87 0.00 0.05 3.99 0.13 -1.95 0.26 132.00 133.61 1jkn h PRO 139 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.37 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 0.53 0.00 -1.83 0.39 -0.23 0.00 0.00 178.00 176.85 1jkn n GLU 140 N -2.85 0.69 -0.02 0.86 4.71 -1.26 -3.50 120.64 119.26 1jkn n GLU 140 Ca -0.02 0.28 -0.13 0.00 -0.01 0.00 0.00 57.16 57.28 1jkn n GLU 140 Cb 0.27 -1.76 -0.10 0.00 -1.01 0.00 0.00 31.44 28.84 1jkn n GLU 140 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1jkn h GLN 141 N 0.03 -0.02 -0.60 3.49 1.08 -0.98 -2.92 115.11 115.19 1jkn h GLN 141 Ca -0.35 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1jkn h GLN 141 Cb 2.02 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.44 1jkn h GLN 141 CO 0.08 0.58 0.43 1.25 -0.95 0.00 0.00 178.83 180.22 1jkn h LEU 142 N -0.65 0.00 -1.24 1.46 5.85 -0.87 1.08 115.31 120.94 1jkn h LEU 142 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1jkn h LEU 142 Cb 0.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1jkn h LEU 142 CO 0.00 0.00 -0.37 0.40 -0.34 0.00 0.00 178.44 178.13 1jkn h ILE 143 N 0.00 1.18 0.00 4.05 1.08 -1.57 0.10 117.51 122.36 1jkn h ILE 143 Ca 0.28 -1.31 -0.04 0.00 -0.39 0.00 0.00 64.86 63.40 1jkn h ILE 143 Cb 1.14 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 1jkn h ILE 143 CO -0.00 0.37 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.83 1jkn h ASP 144 N 0.00 0.00 0.25 1.72 1.82 0.14 -3.25 116.42 117.09 1jkn h ASP 144 Ca -0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.29 1jkn h ASP 144 Cb 0.69 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.72 1jkn h ASP 144 CO 0.05 0.21 -1.68 -0.07 -1.61 0.00 0.00 179.24 176.14 1jkn h LEU 145 N 0.00 0.62-10.06 2.28 3.38 -0.55 -3.47 115.31 107.52 1jkn h LEU 145 Ca -0.00 -0.87 -0.45 0.00 0.09 0.00 0.00 57.88 56.65 1jkn h LEU 145 Cb 1.14 -0.20 0.22 0.00 0.09 0.00 0.00 40.66 41.91 1jkn h LEU 145 CO 0.03 1.72 -0.17 0.41 0.09 0.00 0.00 178.44 180.52 1jkn n THR 146 N -3.59 0.00 -4.09 0.22 -1.04 0.29 -4.39 114.28 101.68 1jkn n THR 146 Ca -0.22 -0.40 -0.22 0.00 -2.04 0.00 0.00 64.05 61.17 1jkn n THR 146 Cb 1.08 -0.93 -0.04 0.00 -1.82 0.00 0.00 70.33 68.62 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 -2.39 4.62 0.27 12.58 0.11 -1.26 -4.87 120.40 129.45 1jkn s VAL 147 Ca 0.67 -1.31 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 1jkn s VAL 147 Cb -0.23 -3.50 0.31 0.00 -1.53 0.00 0.00 36.38 31.43 1jkn s VAL 147 CO 0.65 -0.34 1.63 -0.33 -3.33 0.00 0.00 175.10 173.38 1jkn h GLU 148 N 1.44 0.14 0.00 1.54 4.39 -1.96 1.01 114.58 121.15 1jkn h GLU 148 Ca -0.49 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1jkn h GLU 148 Cb 1.24 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1jkn h GLU 148 CO 0.61 0.09 0.00 1.97 -1.16 0.00 0.00 179.01 180.52 1jkn n PHE 149 N -5.31 0.00 -0.29 4.33 1.16 -1.26 -2.99 117.46 113.11 1jkn n PHE 149 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.76 1jkn n PHE 149 Cb 0.59 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 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 -1.09 -0.26 0.28 3.97 5.02 0.29 -4.62 118.16 121.74 1jkn n LYS 150 Ca 0.17 -0.49 -0.11 0.00 -2.02 0.00 0.00 58.31 55.86 1jkn n LYS 150 Cb 0.13 -0.86 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.72 -0.76 1.97 1.57 0.42 -2.31 116.57 116.74 1jkn h LYS 151 Ca 0.00 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1jkn h LYS 151 Cb 0.22 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 1jkn h LYS 151 CO 0.00 -0.48 0.50 -1.00 -0.57 0.00 0.00 179.45 177.90 1jkn h PRO 152 N -0.95 1.00 -0.08 3.15 0.13 -1.86 0.65 132.00 134.05 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 0.57 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 1jkn h PRO 152 CO 0.13 0.67 0.06 0.28 -0.23 0.00 0.00 178.00 178.90 1jkn h VAL 153 N 1.03 0.87 0.00 1.56 2.07 -1.85 -0.72 116.25 119.21 1jkn h VAL 153 Ca 0.28 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.57 1jkn h VAL 153 Cb -0.12 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1jkn h VAL 153 CO -0.06 0.00 -1.30 -1.22 0.02 0.00 0.00 177.57 175.01 1jkn n TYR 154 N -4.38 0.92 -0.30 1.57 4.02 -0.72 -3.71 117.16 114.57 1jkn n TYR 154 Ca -0.01 0.40 0.23 0.00 -0.01 0.00 0.00 57.90 58.51 1jkn n TYR 154 Cb 0.17 -1.06 0.55 0.00 -0.02 0.00 0.00 39.34 38.97 1jkn n TYR 154 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1jkn h LYS 155 N -1.00 0.33 -0.31 -0.72 3.64 0.44 0.43 116.57 119.38 1jkn h LYS 155 Ca -0.35 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 1jkn h LYS 155 Cb 1.26 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1jkn h LYS 155 CO -0.21 0.22 -0.02 1.49 -2.27 0.00 0.00 179.45 178.66 1jkn h GLU 156 N 0.34 0.56 -0.43 1.90 4.57 -1.30 0.44 114.58 120.66 1jkn h GLU 156 Ca 0.55 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.58 1jkn h GLU 156 Cb 1.51 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 30.02 1jkn h GLU 156 CO -0.22 0.71 0.21 0.28 -1.18 0.00 0.00 179.01 178.81 1jkn h VAL 157 N 0.34 0.97 -0.07 0.32 2.07 -0.30 0.15 116.25 119.74 1jkn h VAL 157 Ca 0.08 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1jkn h VAL 157 Cb 0.48 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1jkn h VAL 157 CO 0.02 0.08 -0.00 -0.07 0.02 0.00 0.00 177.57 177.62 1jkn h LEU 158 N 0.42 0.12 -0.64 2.57 3.38 -0.96 -1.39 115.31 118.81 1jkn h LEU 158 Ca 0.18 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 57.97 1jkn h LEU 158 Cb 0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 1jkn h LEU 158 CO -0.13 0.40 0.08 0.28 0.09 0.00 0.00 178.44 179.17 1jkn h SER 159 N -0.17 -0.12 0.63 -0.43 0.02 0.32 1.86 113.55 115.65 1jkn h SER 159 Ca 0.02 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1jkn h SER 159 Cb 0.34 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1jkn h SER 159 CO 0.00 -0.06 -0.21 0.58 -1.14 0.00 0.00 176.83 176.00 1jkn h VAL 160 N 0.19 0.66 -0.54 2.27 2.07 -0.60 -2.52 116.25 117.79 1jkn h VAL 160 Ca 0.34 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1jkn h VAL 160 Cb 0.56 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1jkn h VAL 160 CO -0.49 0.21 0.00 0.49 0.02 0.00 0.00 177.57 177.80 1jkn n PHE 161 N -3.57 0.93 0.23 1.57 3.72 0.20 -4.66 117.46 115.87 1jkn n PHE 161 Ca -0.01 -0.56 -0.17 0.00 -0.05 0.00 0.00 57.45 56.66 1jkn n PHE 161 Cb 0.36 -0.10 -0.10 0.00 -0.94 0.00 0.00 39.48 38.71 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 3.27 -1.05 -0.06 4.37 0.00 0.30 -0.64 119.26 125.45 1jkn h ALA 162 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jkn h ALA 162 Cb 1.06 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1jkn h ALA 162 CO 0.08 -1.14 0.20 -1.00 0.00 0.00 0.00 179.25 177.38 1jkn h PRO 163 N -0.91 0.00 0.00 0.00 0.13 -1.83 0.32 132.00 129.72 1jkn h PRO 163 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1jkn h PRO 163 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1jkn h PRO 163 CO -0.13 0.00 -0.63 0.72 -0.23 0.00 0.00 178.00 177.73 1jkn n HIS 164 N -3.20 0.26 0.54 1.56 8.25 -0.57 -5.22 115.22 116.85 1jkn n HIS 164 Ca -0.01 0.08 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 1jkn n HIS 164 Cb 0.27 -0.44 0.05 0.00 1.12 0.00 0.00 29.99 30.99 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26