#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 3.92 0.12 1.61 0.04 -1.26 -5.05 135.00 134.37 1jkn s PRO 2 Ca 0.00 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.88 1jkn s PRO 2 Cb 0.00 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 1jkn s PRO 2 CO 0.00 -0.43 0.06 -0.11 0.04 0.00 0.00 177.00 176.55 1jkn n LEU 3 N -0.17 0.00 -3.56 -3.56 7.94 -1.26 -5.09 117.00 111.30 1jkn n LEU 3 Ca 0.06 -0.95 -0.34 0.00 -1.11 0.00 0.00 56.01 53.66 1jkn n LEU 3 Cb 0.47 0.37 -0.03 0.00 0.53 0.00 0.00 43.42 44.76 1jkn n LEU 3 CO 0.50 -0.15 0.66 0.61 -1.11 0.00 0.00 177.39 177.89 1jkn n GLY 4 N 0.90 5.30 0.00 -3.96 0.00 -1.26 -4.99 105.19 101.19 1jkn n GLY 4 Ca -0.00 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.30 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 0.65 0.17 -3.15 1.61 7.64 -1.26 -4.85 113.62 114.42 1jkn n SER 5 Ca 0.32 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.24 1jkn n SER 5 Cb 0.36 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1jkn n SER 5 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1jkn s MET 6 N 1.02 0.56 0.00 1.43 1.75 0.30 -4.94 119.30 119.41 1jkn s MET 6 Ca 0.00 0.55 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 1jkn s MET 6 Cb 0.00 0.25 0.00 0.00 2.84 0.00 0.00 34.83 37.92 1jkn s MET 6 CO 0.00 -1.04 0.61 -0.40 -0.65 0.00 0.00 175.02 173.54 1jkn n ASP 7 N 5.42 0.20 -3.65 1.11 5.68 -1.26 0.23 116.55 124.28 1jkn n ASP 7 Ca 0.05 -1.43 -0.04 0.00 -0.50 0.00 0.00 54.79 52.87 1jkn n ASP 7 Cb 0.54 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 1jkn n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1jkn s SER 8 N -1.00 -0.79 -0.18 -1.12 0.01 -1.26 -4.81 113.70 104.55 1jkn s SER 8 Ca 0.00 1.34 -0.29 0.00 1.31 0.00 0.00 55.95 58.31 1jkn s SER 8 Cb 0.00 1.90 -0.07 0.00 0.21 0.00 0.00 66.02 68.06 1jkn s SER 8 CO 0.00 -0.22 2.16 -0.81 0.41 0.00 0.00 173.24 174.78 1jkn n PRO 9 N 5.40 2.05 -0.08 12.44 -0.04 -1.26 -4.97 135.00 148.54 1jkn n PRO 9 Ca -0.11 0.62 -0.03 0.00 -0.04 0.00 0.00 63.50 63.93 1jkn n PRO 9 Cb 0.49 -3.09 0.03 0.00 -0.04 0.00 0.00 33.50 30.89 1jkn n PRO 9 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1jkn n PRO 10 N 8.38 -1.73 -3.36 0.54 -0.02 -1.26 -5.01 135.00 132.54 1jkn n PRO 10 Ca 0.29 -0.18 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 1jkn n PRO 10 Cb 0.41 -0.20 -0.06 0.00 -0.02 0.00 0.00 33.50 33.64 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 -3.26 4.00 0.00 -0.52 8.01 -1.26 -4.21 118.70 121.46 1jkn s GLU 11 Ca 0.08 0.51 0.00 0.00 0.01 0.00 0.00 54.97 55.57 1jkn s GLU 11 Cb -0.01 -2.99 0.00 0.00 -4.31 0.00 0.00 34.13 26.82 1jkn s GLU 11 CO 0.06 0.51 0.00 0.41 0.01 0.00 0.00 175.26 176.25 1jkn n GLY 12 N 0.98 2.47 3.75 -1.39 0.00 -1.26 -5.01 105.19 104.72 1jkn n GLY 12 Ca -0.06 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.65 3.19 0.38 1.61 1.51 -1.26 -4.31 117.35 117.81 1jkn s TYR 13 Ca 0.00 1.30 -0.14 0.00 -1.01 0.00 0.00 57.07 57.22 1jkn s TYR 13 Cb 0.00 -3.63 -0.08 0.00 -0.11 0.00 0.00 41.96 38.14 1jkn s TYR 13 CO 0.00 -1.86 0.79 0.50 -1.11 0.00 0.00 175.55 173.87 1jkn s ARG 14 N -0.80 3.93 0.04 -0.62 3.52 -1.19 -4.72 118.95 119.12 1jkn s ARG 14 Ca 0.53 0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 56.49 1jkn s ARG 14 Cb -0.38 -2.37 -0.07 0.00 -1.56 0.00 0.00 34.95 30.57 1jkn s ARG 14 CO 0.44 0.03 1.60 1.03 -0.81 0.00 0.00 175.30 177.59 1jkn s ARG 15 N -3.41 4.21 0.12 5.12 1.81 -1.26 -3.20 118.95 122.34 1jkn s ARG 15 Ca 0.54 2.24 -0.15 0.00 -1.72 0.00 0.00 55.73 56.64 1jkn s ARG 15 Cb -0.10 -3.65 0.03 0.00 -0.45 0.00 0.00 34.95 30.77 1jkn s ARG 15 CO 0.23 -0.72 0.37 1.21 -0.68 0.00 0.00 175.30 175.71 1jkn s ASN 16 N 2.45 -0.18 0.03 0.23 3.84 -1.24 -0.28 114.94 119.79 1jkn s ASN 16 Ca 0.72 -0.36 0.03 0.00 0.21 0.00 0.00 52.86 53.46 1jkn s ASN 16 Cb -0.37 0.45 -0.02 0.00 -0.55 0.00 0.00 41.25 40.76 1jkn s ASN 16 CO 0.31 -0.83 -0.09 0.68 -2.79 0.00 0.00 177.10 174.37 1jkn s VAL 17 N -3.79 0.71 0.11 -5.21 -7.23 0.34 -3.67 120.40 101.67 1jkn s VAL 17 Ca 0.03 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1jkn s VAL 17 Cb 0.02 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1jkn s VAL 17 CO -0.12 -0.16 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.62 1jkn s GLY 18 N -1.17 1.83 -0.30 2.32 0.00 -1.23 -1.82 107.32 106.94 1jkn s GLY 18 Ca -0.04 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.47 1jkn s GLY 18 CO 0.01 -1.21 0.06 -0.42 0.00 0.00 0.00 173.10 171.54 1jkn s ILE 19 N -1.30 1.34 -0.55 0.90 1.09 -0.84 -0.91 121.20 120.93 1jkn s ILE 19 Ca 0.23 -1.59 -0.22 0.00 -1.10 0.00 0.00 60.65 57.97 1jkn s ILE 19 Cb -0.11 -1.93 0.05 0.00 -1.06 0.00 0.00 42.46 39.41 1jkn s ILE 19 CO 0.16 -0.55 0.83 0.00 -0.10 0.00 0.00 174.94 175.28 1jkn s LEU 21 N 3.47 4.03 0.19 0.00 2.96 -1.26 0.18 118.68 128.25 1jkn s LEU 21 Ca 0.24 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.52 1jkn s LEU 21 Cb -0.16 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1jkn s LEU 21 CO 0.15 0.36 -0.16 0.00 -1.32 0.00 0.00 176.35 175.38 1jkn s MET 22 N -1.20 1.30 0.44 1.98 0.23 0.04 0.40 119.30 122.49 1jkn s MET 22 Ca 0.17 -1.49 0.08 0.00 -1.03 0.00 0.00 55.69 53.42 1jkn s MET 22 Cb -0.12 -1.22 0.02 0.00 -1.53 0.00 0.00 34.83 31.98 1jkn s MET 22 CO 0.07 0.23 0.56 0.54 -2.03 0.00 0.00 175.02 174.39 1jkn s ASN 23 N -2.99 5.46 0.45 -1.18 4.22 -0.57 -1.80 114.94 118.53 1jkn s ASN 23 Ca 0.19 -0.55 0.26 0.00 -2.14 0.00 0.00 52.86 50.62 1jkn s ASN 23 Cb -0.03 -0.49 1.43 0.00 1.28 0.00 0.00 41.25 43.44 1jkn s ASN 23 CO 0.07 -0.83 1.79 0.78 -2.04 0.00 0.00 177.10 176.87 1jkn h ASN 24 N 0.65 0.00 -0.02 3.54 4.21 -1.91 0.36 115.58 122.41 1jkn h ASN 24 Ca -0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1jkn h ASN 24 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1jkn h ASN 24 CO 0.47 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 177.08 1jkn n ASP 25 N -2.49 1.39 -0.32 5.81 8.00 -1.26 -4.91 116.55 122.76 1jkn n ASP 25 Ca -0.02 -1.47 -0.03 0.00 0.71 0.00 0.00 54.79 53.98 1jkn n ASP 25 Cb 0.15 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.09 -0.24 -3.00 -1.24 5.02 0.13 -5.05 118.16 113.86 1jkn n LYS 26 Ca 0.19 0.29 -0.18 0.00 -2.02 0.00 0.00 58.31 56.59 1jkn n LYS 26 Cb 0.34 -3.95 0.02 0.00 -0.02 0.00 0.00 35.03 31.42 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 -3.59 2.72 -0.19 1.97 1.02 -1.25 -4.80 119.74 115.61 1jkn s LYS 27 Ca 0.00 -1.31 -0.04 0.00 0.02 0.00 0.00 55.97 54.64 1jkn s LYS 27 Cb 0.00 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1jkn s LYS 27 CO 0.00 -0.40 -0.03 0.42 -0.92 0.00 0.00 175.35 174.42 1jkn s ILE 28 N -2.42 3.65 -0.27 2.17 1.09 0.27 -1.51 121.20 124.17 1jkn s ILE 28 Ca 0.56 -0.42 -0.29 0.00 -1.10 0.00 0.00 60.65 59.41 1jkn s ILE 28 Cb -0.09 -2.64 -0.06 0.00 -1.06 0.00 0.00 42.46 38.61 1jkn s ILE 28 CO 0.34 0.44 2.25 0.33 -0.10 0.00 0.00 174.94 178.21 1jkn n PHE 29 N 4.27 1.84 -4.97 3.97 -0.00 0.16 -2.86 117.46 119.87 1jkn n PHE 29 Ca -0.18 -0.04 -0.32 0.00 -0.00 0.00 0.00 57.45 56.91 1jkn n PHE 29 Cb 0.52 -2.69 -0.16 0.00 -0.00 0.00 0.00 39.48 37.15 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 8.66 2.41 -0.03 3.13 0.00 -0.42 -4.69 121.76 130.83 1jkn s ALA 30 Ca 1.02 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1jkn s ALA 30 Cb -0.40 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1jkn s ALA 30 CO 0.36 0.26 -0.14 0.00 0.00 0.00 0.00 175.76 176.25 1jkn s ALA 31 N 0.36 2.70 0.55 0.00 0.00 -0.81 0.52 121.76 125.07 1jkn s ALA 31 Ca -0.14 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 1jkn s ALA 31 Cb -0.17 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1jkn s ALA 31 CO 0.07 0.57 0.93 -1.54 0.00 0.00 0.00 175.76 175.79 1jkn s SER 32 N -0.92 6.31 0.96 0.00 1.04 -0.08 -0.45 113.70 120.56 1jkn s SER 32 Ca 0.13 1.28 -0.12 0.00 0.48 0.00 0.00 55.95 57.72 1jkn s SER 32 Cb -0.11 -2.40 0.16 0.00 0.10 0.00 0.00 66.02 63.78 1jkn s SER 32 CO 0.02 -0.71 1.09 -0.13 0.98 0.00 0.00 173.24 174.48 1jkn s ARG 33 N -4.80 0.77 0.00 4.02 0.52 0.37 -2.70 118.95 117.12 1jkn s ARG 33 Ca 0.53 0.84 0.26 0.00 -0.52 0.00 0.00 55.73 56.84 1jkn s ARG 33 Cb -0.11 -1.75 0.62 0.00 0.52 0.00 0.00 34.95 34.23 1jkn s ARG 33 CO 0.47 -2.58 1.49 1.28 0.02 0.00 0.00 175.30 175.97 1jkn n LEU 34 N -4.12 0.57 0.00 2.53 4.77 -0.87 -3.74 117.00 116.14 1jkn n LEU 34 Ca 0.07 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1jkn n LEU 34 Cb 0.55 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1jkn n LEU 34 CO 0.55 0.13 0.00 -0.90 -1.33 0.00 0.00 177.39 175.84 1jkn n ASP 35 N -1.32 0.00 -4.18 -1.43 5.68 -1.26 -4.94 116.55 109.11 1jkn n ASP 35 Ca 0.07 -0.25 -0.35 0.00 -0.50 0.00 0.00 54.79 53.76 1jkn n ASP 35 Cb 0.34 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.18 1jkn n ASP 35 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1jkn s ILE 36 N 0.00 3.04 0.17 2.12 1.01 -1.26 -5.08 121.20 121.20 1jkn s ILE 36 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 60.65 58.96 1jkn s ILE 36 Cb 0.00 -2.76 -0.10 0.00 0.01 0.00 0.00 42.46 39.62 1jkn s ILE 36 CO 0.00 -0.12 1.53 -2.16 0.00 0.00 0.00 174.94 174.19 1jkn s PRO 37 N 1.26 4.23 0.00 2.79 0.04 -1.26 -1.72 135.00 140.35 1jkn s PRO 37 Ca -0.05 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1jkn s PRO 37 Cb -0.20 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1jkn s PRO 37 CO -0.01 -0.56 0.00 -3.47 0.04 0.00 0.00 177.00 173.00 1jkn n ASP 38 N 3.69 -0.40 -4.38 6.66 2.03 -1.26 -4.98 116.55 117.91 1jkn n ASP 38 Ca 0.12 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.99 1jkn n ASP 38 Cb 0.39 -0.07 -0.04 0.00 -0.72 0.00 0.00 41.12 40.68 1jkn n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jkn s ALA 39 N -3.64 3.48 0.29 -1.67 0.00 -0.70 -4.94 121.76 114.59 1jkn s ALA 39 Ca 0.00 -2.42 0.08 0.00 0.00 0.00 0.00 51.96 49.62 1jkn s ALA 39 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1jkn s ALA 39 CO 0.00 -2.42 0.16 -1.58 0.00 0.00 0.00 175.76 171.91 1jkn s TRP 40 N 2.41 2.88 0.03 0.00 0.52 -1.26 0.14 118.94 123.66 1jkn s TRP 40 Ca 0.15 -0.24 -0.28 0.00 0.02 0.00 0.00 56.10 55.75 1jkn s TRP 40 Cb -0.20 -1.49 0.09 0.00 -1.15 0.00 0.00 33.47 30.73 1jkn s TRP 40 CO 0.03 0.44 0.99 1.14 0.02 0.00 0.00 176.95 179.56 1jkn s GLN 41 N -3.83 0.86 0.30 4.98 -2.07 0.41 -4.52 119.66 115.77 1jkn s GLN 41 Ca 0.35 -0.41 -0.00 0.00 -1.82 0.00 0.00 55.36 53.48 1jkn s GLN 41 Cb -0.06 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1jkn s GLN 41 CO 0.24 -0.39 0.50 -1.64 -1.32 0.00 0.00 175.29 172.68 1jkn s MET 42 N -3.03 3.52 0.21 9.60 -1.94 -1.26 -1.93 119.30 124.46 1jkn s MET 42 Ca 0.09 -0.30 -0.31 0.00 -1.71 0.00 0.00 55.69 53.46 1jkn s MET 42 Cb -0.00 -2.71 -0.10 0.00 2.01 0.00 0.00 34.83 34.02 1jkn s MET 42 CO -0.04 0.24 1.46 -1.25 -0.01 0.00 0.00 175.02 175.42 1jkn s PRO 43 N -3.93 4.26 0.04 2.03 0.04 -1.26 -4.97 135.00 131.21 1jkn s PRO 43 Ca 0.40 2.28 -0.20 0.00 0.04 0.00 0.00 61.00 63.52 1jkn s PRO 43 Cb -0.10 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.34 1jkn s PRO 43 CO 0.33 -0.47 0.45 1.14 0.04 0.00 0.00 177.00 178.49 1jkn s GLN 44 N 0.24 0.95 -0.03 4.56 -2.07 -1.26 -1.98 119.66 120.06 1jkn s GLN 44 Ca 0.63 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 53.58 1jkn s GLN 44 Cb -0.42 0.43 0.07 0.00 -1.09 0.00 0.00 33.01 32.01 1jkn s GLN 44 CO 0.38 -0.33 0.69 0.20 -1.32 0.00 0.00 175.29 174.91 1jkn s GLY 45 N -1.93 -0.57 0.39 2.60 0.00 -0.76 -4.89 107.32 102.16 1jkn s GLY 45 Ca -0.06 1.25 -0.27 0.00 0.00 0.00 0.00 44.72 45.64 1jkn s GLY 45 CO -0.01 0.86 1.33 -0.32 0.00 0.00 0.00 173.10 174.95 1jkn s GLY 46 N -1.39 2.94 0.76 0.20 0.00 -1.26 -0.50 107.32 108.07 1jkn s GLY 46 Ca -0.09 1.28 -0.11 0.00 0.00 0.00 0.00 44.72 45.80 1jkn s GLY 46 CO 0.07 1.89 1.09 -0.42 0.00 0.00 0.00 173.10 175.73 1jkn s ILE 47 N -1.22 3.28 0.53 0.90 1.01 0.61 -4.79 121.20 121.53 1jkn s ILE 47 Ca 0.55 0.42 -0.07 0.00 0.00 0.00 0.00 60.65 61.55 1jkn s ILE 47 Cb -0.39 -3.25 0.12 0.00 0.01 0.00 0.00 42.46 38.95 1jkn s ILE 47 CO 0.51 -0.54 0.73 0.47 0.00 0.00 0.00 174.94 176.11 1jkn n ASP 48 N -3.27 0.30 -4.55 3.58 8.00 -1.26 -4.84 116.55 114.51 1jkn n ASP 48 Ca 0.07 -1.41 -0.41 0.00 0.71 0.00 0.00 54.79 53.75 1jkn n ASP 48 Cb 0.56 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1jkn n ASP 48 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jkn s GLU 49 N -4.49 3.11 -0.44 -1.24 2.02 -1.26 -3.56 118.70 112.85 1jkn s GLU 49 Ca 0.43 -0.13 -0.00 0.00 0.02 0.00 0.00 54.97 55.29 1jkn s GLU 49 Cb -0.02 -4.21 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1jkn s GLU 49 CO 0.30 -2.23 0.37 0.41 0.02 0.00 0.00 175.26 174.13 1jkn n GLY 50 N 5.42 0.15 3.47 -1.39 0.00 -1.26 -5.05 105.19 106.54 1jkn n GLY 50 Ca 0.05 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.52 2.08 0.14 1.61 2.56 -1.23 -5.11 118.70 114.23 1jkn s GLU 51 Ca 0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 54.97 53.69 1jkn s GLU 51 Cb -0.00 -2.21 -0.08 0.00 2.00 0.00 0.00 34.13 33.84 1jkn s GLU 51 CO 0.27 0.54 1.25 -0.51 -0.56 0.00 0.00 175.26 176.25 1jkn s ASP 52 N -1.52 7.00 0.23 -1.70 1.01 -1.26 -4.80 116.67 115.63 1jkn s ASP 52 Ca 0.15 2.23 -0.07 0.00 0.71 0.00 0.00 52.55 55.57 1jkn s ASP 52 Cb -0.11 -2.60 0.36 0.00 1.01 0.00 0.00 42.92 41.59 1jkn s ASP 52 CO 0.06 -0.48 1.74 -0.65 0.21 0.00 0.00 175.17 176.06 1jkn h PRO 53 N 5.94 0.44 -0.01 8.23 0.11 -1.96 0.12 132.00 144.87 1jkn h PRO 53 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jkn h PRO 53 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jkn h PRO 53 CO 0.79 0.29 0.01 -0.09 -0.21 0.00 0.00 178.00 178.78 1jkn h ARG 54 N 0.45 0.00 0.05 1.05 2.43 -1.92 0.57 114.38 117.01 1jkn h ARG 54 Ca 0.36 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.32 1jkn h ARG 54 Cb 0.48 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1jkn h ARG 54 CO -0.34 0.00 -1.12 -0.91 -1.51 0.00 0.00 179.97 176.09 1jkn h ASN 55 N 0.00 0.15 0.00 -3.80 2.35 -1.39 -2.94 115.58 109.95 1jkn h ASN 55 Ca 0.00 -0.74 -0.00 0.00 -0.55 0.00 0.00 56.30 55.02 1jkn h ASN 55 Cb 0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1jkn h ASN 55 CO -0.00 1.46 -0.00 0.00 -1.65 0.00 0.00 177.43 177.24 1jkn h ALA 56 N -0.22 1.97 0.01 -0.83 0.00 -0.59 0.15 119.26 119.74 1jkn h ALA 56 Ca -0.27 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jkn h ALA 56 Cb 1.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jkn h ALA 56 CO -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.18 1jkn h ALA 57 N 2.00 -0.01 -0.23 0.00 0.00 -1.02 0.39 119.26 120.39 1jkn h ALA 57 Ca -0.00 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1jkn h ALA 57 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jkn h ALA 57 CO 0.00 -0.11 0.16 0.82 0.00 0.00 0.00 179.25 180.12 1jkn h ILE 58 N -0.80 0.89 0.00 0.00 2.04 -1.26 0.30 117.51 118.68 1jkn h ILE 58 Ca -0.00 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1jkn h ILE 58 Cb 0.77 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1jkn h ILE 58 CO 0.00 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.96 1jkn h ARG 59 N 0.01 0.00 -0.76 2.37 2.43 -0.97 -3.34 114.38 114.12 1jkn h ARG 59 Ca 0.11 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.44 1jkn h ARG 59 Cb 0.42 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 1jkn h ARG 59 CO -0.00 0.65 0.51 0.93 -1.51 0.00 0.00 179.97 180.54 1jkn h GLU 60 N -1.00 0.35 0.51 0.20 4.39 0.29 -2.54 114.58 116.78 1jkn h GLU 60 Ca -0.02 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1jkn h GLU 60 Cb 0.69 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1jkn h GLU 60 CO -0.01 0.23 -0.51 1.25 -1.16 0.00 0.00 179.01 178.81 1jkn h LEU 61 N 0.37 -1.39 -0.54 1.33 5.85 -0.54 0.76 115.31 121.15 1jkn h LEU 61 Ca 0.37 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1jkn h LEU 61 Cb 0.93 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1jkn h LEU 61 CO -0.11 -0.67 0.00 -2.11 -0.34 0.00 0.00 178.44 175.21 1jkn n ARG 62 N -5.57 0.06 -0.02 1.25 1.85 -0.98 0.47 116.66 113.72 1jkn n ARG 62 Ca -0.12 0.52 -0.20 0.00 -1.00 0.00 0.00 57.85 57.05 1jkn n ARG 62 Cb 0.46 -1.68 -0.14 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.81 0.74 -0.01 2.89 1.02 0.21 0.11 120.64 123.79 1jkn n GLU 63 Ca -0.00 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1jkn n GLU 63 Cb 0.04 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 29.64 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 -3.43 0.67 -0.00 3.49 -0.58 0.24 -3.78 120.64 117.25 1jkn n GLU 64 Ca -0.33 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1jkn n GLU 64 Cb 1.04 -1.77 -0.01 0.00 -0.57 0.00 0.00 31.44 30.13 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 -3.16 0.03 -0.97 2.62 -2.24 0.18 -4.54 114.28 106.19 1jkn n THR 65 Ca -0.21 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1jkn n THR 65 Cb 1.05 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 2.59 0.86 3.63 3.38 0.00 -0.44 0.11 105.19 115.32 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 -3.50 3.53 -0.11 1.61 1.01 -1.26 -4.41 120.40 117.28 1jkn s VAL 67 Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 61.98 62.65 1jkn s VAL 67 Cb 0.00 -3.52 -0.24 0.00 0.00 0.00 0.00 36.38 32.62 1jkn s VAL 67 CO 0.00 -0.19 0.42 0.35 0.00 0.00 0.00 175.10 175.67 1jkn n THR 68 N 6.32 1.62 -2.98 3.92 -2.24 -1.26 -3.94 114.28 115.72 1jkn n THR 68 Ca 0.20 -0.74 -0.44 0.00 -2.27 0.00 0.00 64.05 60.79 1jkn n THR 68 Cb 0.44 -1.20 -0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 -6.33 7.02 -0.14 3.42 0.01 -1.26 -4.93 113.70 111.49 1jkn s SER 69 Ca -0.13 -2.89 -0.08 0.00 1.31 0.00 0.00 55.95 54.16 1jkn s SER 69 Cb 0.07 -2.38 0.05 0.00 0.21 0.00 0.00 66.02 63.97 1jkn s SER 69 CO 0.79 -0.76 0.33 0.00 0.41 0.00 0.00 173.24 174.01 1jkn s ALA 70 N 1.53 -0.82 0.07 1.44 0.00 -1.26 0.91 121.76 123.64 1jkn s ALA 70 Ca 0.40 1.23 0.09 0.00 0.00 0.00 0.00 51.96 53.68 1jkn s ALA 70 Cb -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1jkn s ALA 70 CO -0.02 -0.22 -0.24 -1.83 0.00 0.00 0.00 175.76 173.45 1jkn s GLU 71 N 1.15 1.75 -0.16 0.00 -1.05 -0.61 -4.88 118.70 114.90 1jkn s GLU 71 Ca -0.08 -1.16 -0.29 0.00 -0.15 0.00 0.00 54.97 53.29 1jkn s GLU 71 Cb -0.08 -2.02 -0.00 0.00 -0.44 0.00 0.00 34.13 31.59 1jkn s GLU 71 CO -0.09 0.50 1.08 0.08 0.95 0.00 0.00 175.26 177.77 1jkn s VAL 72 N -0.93 4.61 -0.04 1.83 1.01 -1.26 0.15 120.40 125.77 1jkn s VAL 72 Ca 0.14 1.92 0.16 0.00 0.00 0.00 0.00 61.98 64.20 1jkn s VAL 72 Cb -0.10 -4.24 -0.25 0.00 0.00 0.00 0.00 36.38 31.79 1jkn s VAL 72 CO 0.05 -0.09 0.32 -0.38 0.00 0.00 0.00 175.10 175.00 1jkn n ILE 73 N 5.00 0.15 -3.69 2.22 2.08 0.21 -4.89 119.36 120.45 1jkn n ILE 73 Ca 0.11 -0.42 -0.10 0.00 0.56 0.00 0.00 62.75 62.90 1jkn n ILE 73 Cb 0.47 0.02 -0.05 0.00 -0.75 0.00 0.00 39.64 39.32 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 -3.06 -0.81 -0.22 -1.39 0.00 -1.11 -4.95 121.76 110.23 1jkn s ALA 74 Ca -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 1jkn s ALA 74 Cb 0.10 0.70 0.11 0.00 0.00 0.00 0.00 23.12 24.03 1jkn s ALA 74 CO 0.69 -0.65 0.30 -1.83 0.00 0.00 0.00 175.76 174.28 1jkn s GLU 75 N -3.83 0.27 0.05 0.00 -1.05 -1.26 0.12 118.70 113.00 1jkn s GLU 75 Ca 0.05 0.41 -0.32 0.00 -0.15 0.00 0.00 54.97 54.95 1jkn s GLU 75 Cb 0.02 -0.77 -0.11 0.00 -0.44 0.00 0.00 34.13 32.83 1jkn s GLU 75 CO -0.10 -0.62 1.83 0.28 0.95 0.00 0.00 175.26 177.60 1jkn n VAL 76 N 5.34 0.44 1.02 1.83 0.31 -0.27 -4.86 118.33 122.15 1jkn n VAL 76 Ca -0.05 -0.08 0.11 0.00 -0.01 0.00 0.00 64.34 64.31 1jkn n VAL 76 Cb 0.50 -1.99 0.55 0.00 -0.91 0.00 0.00 33.84 31.99 1jkn n VAL 76 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jkn n PRO 77 N 5.91 0.29 -4.54 5.55 -0.04 -1.26 -4.68 135.00 136.24 1jkn n PRO 77 Ca 0.20 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 1jkn n PRO 77 Cb 0.34 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.14 1jkn n PRO 77 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1jkn s TYR 78 N -2.60 1.22 0.51 0.54 -0.85 -1.26 -4.74 117.35 110.17 1jkn s TYR 78 Ca 0.20 -0.34 -0.22 0.00 -0.52 0.00 0.00 57.07 56.20 1jkn s TYR 78 Cb 0.15 -0.86 -0.06 0.00 0.38 0.00 0.00 41.96 41.57 1jkn s TYR 78 CO 0.34 -0.14 1.22 -1.58 -1.52 0.00 0.00 175.55 173.88 1jkn s TRP 79 N 0.20 2.62 -0.22 -3.49 0.52 0.63 -4.51 118.94 114.69 1jkn s TRP 79 Ca -0.04 1.49 -0.01 0.00 0.02 0.00 0.00 56.10 57.56 1jkn s TRP 79 Cb -0.10 -3.51 0.02 0.00 -1.15 0.00 0.00 33.47 28.73 1jkn s TRP 79 CO 0.01 -2.02 -0.11 -0.51 0.02 0.00 0.00 176.95 174.35 1jkn s LEU 80 N -3.39 2.76 -0.13 2.99 1.43 0.22 0.11 118.68 122.67 1jkn s LEU 80 Ca 0.69 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1jkn s LEU 80 Cb -0.32 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1jkn s LEU 80 CO 0.37 -0.06 -0.09 0.42 0.23 0.00 0.00 176.35 177.22 1jkn s THR 81 N 1.33 3.43 0.16 5.49 -4.23 -1.26 -1.76 115.64 118.81 1jkn s THR 81 Ca 0.03 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 1jkn s THR 81 Cb -0.15 -2.46 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 1jkn s THR 81 CO -0.07 0.52 -0.07 -0.72 -0.54 0.00 0.00 174.62 173.74 1jkn s TYR 82 N 0.18 1.29 0.26 3.99 1.13 -1.25 -4.93 117.35 118.00 1jkn s TYR 82 Ca -0.05 -0.82 0.12 0.00 -1.41 0.00 0.00 57.07 54.91 1jkn s TYR 82 Cb -0.14 -0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 39.98 1jkn s TYR 82 CO 0.04 0.02 -0.20 0.16 -2.51 0.00 0.00 175.55 173.06 1jkn s ASP 83 N -3.18 3.60 0.17 -0.18 -4.77 -1.26 -3.11 116.67 107.94 1jkn s ASP 83 Ca 0.19 -0.97 0.08 0.00 -3.30 0.00 0.00 52.55 48.55 1jkn s ASP 83 Cb 0.04 -0.32 -0.04 0.00 -1.09 0.00 0.00 42.92 41.51 1jkn s ASP 83 CO 0.02 0.06 -0.05 -0.36 0.70 0.00 0.00 175.17 175.53 1jkn s PHE 84 N -2.28 2.73 1.20 2.11 0.08 -1.22 -4.86 117.98 115.73 1jkn s PHE 84 Ca 0.28 -0.18 -0.15 0.00 0.12 0.00 0.00 56.93 57.00 1jkn s PHE 84 Cb -0.06 -1.33 0.29 0.00 -0.57 0.00 0.00 43.02 41.35 1jkn s PHE 84 CO 0.14 0.51 1.02 -1.25 -0.10 0.00 0.00 175.22 175.54 1jkn s PRO 85 N -2.86 -1.16 0.47 0.24 0.04 -1.26 -4.36 135.00 126.11 1jkn s PRO 85 Ca 0.26 0.61 0.32 0.00 0.04 0.00 0.00 61.00 62.22 1jkn s PRO 85 Cb -0.09 -1.54 1.58 0.00 0.04 0.00 0.00 34.50 34.49 1jkn s PRO 85 CO 0.17 -3.82 1.97 -1.00 0.04 0.00 0.00 177.00 174.35 1jkn h PRO 86 N -2.68 0.00 0.05 0.56 0.13 -2.00 0.66 132.00 128.72 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 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 1jkn h PRO 86 CO 0.48 0.00 -1.91 1.17 -0.23 0.00 0.00 178.00 177.51 1jkn n LYS 87 N -2.69 0.69 -0.05 0.86 3.00 -1.26 -3.04 118.16 115.67 1jkn n LYS 87 Ca -0.01 0.25 -0.17 0.00 -0.00 0.00 0.00 58.31 58.38 1jkn n LYS 87 Cb 0.14 -1.73 -0.13 0.00 0.00 0.00 0.00 35.03 33.31 1jkn n LYS 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1jkn h VAL 88 N 0.03 1.51 -0.46 3.15 2.07 -1.76 -2.00 116.25 118.78 1jkn h VAL 88 Ca -0.37 -2.36 0.04 0.00 0.82 0.00 0.00 66.70 64.82 1jkn h VAL 88 Cb 2.03 3.08 -0.04 0.00 -1.52 0.00 0.00 31.29 34.85 1jkn h VAL 88 CO 0.07 0.59 0.24 -0.09 0.02 0.00 0.00 177.57 178.39 1jkn h ARG 89 N -0.81 0.46 0.00 1.57 2.43 0.12 0.72 114.38 118.86 1jkn h ARG 89 Ca -0.12 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 1jkn h ARG 89 Cb 1.25 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1jkn h ARG 89 CO -0.00 0.30 -0.33 1.49 -1.51 0.00 0.00 179.97 179.91 1jkn h GLU 90 N 0.47 0.00 0.02 0.20 4.81 -1.67 -2.12 114.58 116.29 1jkn h GLU 90 Ca 0.20 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1jkn h GLU 90 Cb 0.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1jkn h GLU 90 CO -0.13 0.33 -0.35 -0.22 -0.73 0.00 0.00 179.01 177.91 1jkn h LYS 91 N 0.00 0.21 -0.35 1.92 3.64 -0.32 -3.31 116.57 118.36 1jkn h LYS 91 Ca -0.00 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1jkn h LYS 91 Cb 0.66 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1jkn h LYS 91 CO 0.04 1.00 0.18 -0.07 -2.27 0.00 0.00 179.45 178.34 1jkn h LEU 92 N -0.48 0.27 -1.83 5.20 3.38 0.46 0.63 115.31 122.94 1jkn h LEU 92 Ca -0.05 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.33 1jkn h LEU 92 Cb 1.14 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1jkn h LEU 92 CO 0.07 0.20 0.94 0.78 0.09 0.00 0.00 178.44 180.52 1jkn h ASN 93 N 0.37 0.09 0.00 -0.43 2.35 -1.48 1.69 115.58 118.18 1jkn h ASN 93 Ca 0.14 0.03 -0.39 0.00 -0.55 0.00 0.00 56.30 55.54 1jkn h ASN 93 Cb 0.04 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 1jkn h ASN 93 CO -0.09 -0.01 -2.13 -0.38 -1.65 0.00 0.00 177.43 173.16 1jkn n ILE 94 N -4.26 1.54 0.17 2.81 5.41 -0.49 -2.72 119.36 121.82 1jkn n ILE 94 Ca 0.31 -0.29 -0.13 0.00 1.00 0.00 0.00 62.75 63.63 1jkn n ILE 94 Cb 1.38 -1.90 -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 -0.91 -0.45 0.08 0.38 4.15 0.11 -3.29 115.11 115.19 1jkn h GLN 95 Ca -0.58 0.03 -0.25 0.00 0.77 0.00 0.00 58.65 58.62 1jkn h GLN 95 Cb 1.55 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.34 1jkn h GLN 95 CO -0.33 -0.13 -1.12 -1.49 -1.93 0.00 0.00 178.83 173.84 1jkn h TRP 96 N -0.81 0.50 -0.93 3.99 4.06 0.22 -3.48 115.95 119.48 1jkn h TRP 96 Ca -0.05 -0.33 -0.03 0.00 2.06 0.00 0.00 58.89 60.54 1jkn h TRP 96 Cb 0.52 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.65 1jkn h TRP 96 CO 0.02 1.21 -0.05 0.41 -3.56 0.00 0.00 178.44 176.47 1jkn n GLY 97 N 1.30 0.64 3.19 1.49 0.00 0.75 -4.98 105.19 107.57 1jkn n GLY 97 Ca -0.07 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 1.97 -0.91 1.61 0.01 -1.24 -4.99 113.70 107.17 1jkn s SER 98 Ca 0.03 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 1jkn s SER 98 Cb -0.01 -0.12 0.27 0.00 0.21 0.00 0.00 66.02 66.38 1jkn s SER 98 CO 0.03 0.04 1.12 -0.67 0.41 0.00 0.00 173.24 174.17 1jkn n ASP 99 N 1.61 5.17 -3.94 2.44 2.03 -1.26 -3.93 116.55 118.66 1jkn n ASP 99 Ca -0.19 -3.37 -0.17 0.00 0.52 0.00 0.00 54.79 51.58 1jkn n ASP 99 Cb 0.54 -1.04 -0.15 0.00 -0.72 0.00 0.00 41.12 39.75 1jkn n ASP 99 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 1jkn s TRP 100 N -2.42 0.57 0.26 -0.67 0.52 -1.26 -5.01 118.94 110.92 1jkn s TRP 100 Ca 0.34 -0.12 0.05 0.00 0.02 0.00 0.00 56.10 56.38 1jkn s TRP 100 Cb 0.06 -0.43 0.33 0.00 -1.15 0.00 0.00 33.47 32.28 1jkn s TRP 100 CO 0.02 -0.06 1.62 0.87 0.02 0.00 0.00 176.95 179.42 1jkn h LYS 101 N 6.37 0.27 0.00 4.98 6.56 -1.95 -3.48 116.57 129.32 1jkn h LYS 101 Ca -0.32 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 1jkn h LYS 101 Cb 1.18 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1jkn h LYS 101 CO 0.49 0.72 0.00 0.41 -2.06 0.00 0.00 179.45 179.01 1jkn n GLY 102 N 0.06 3.77 3.41 3.86 0.00 -1.25 -3.45 105.19 111.59 1jkn n GLY 102 Ca -0.02 -0.72 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 1.69 0.52 -0.56 1.61 -0.21 -1.18 -3.14 119.66 118.39 1jkn s GLN 103 Ca 0.00 1.21 -0.24 0.00 0.02 0.00 0.00 55.36 56.35 1jkn s GLN 103 Cb 0.00 0.62 0.04 0.00 1.00 0.00 0.00 33.01 34.67 1jkn s GLN 103 CO 0.00 -0.35 0.96 0.00 -2.12 0.00 0.00 175.29 173.78 1jkn s ALA 104 N 2.82 3.15 0.13 6.09 0.00 -1.19 -3.87 121.76 128.89 1jkn s ALA 104 Ca 0.03 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 50.85 1jkn s ALA 104 Cb -0.13 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1jkn s ALA 104 CO -0.18 -2.42 -0.20 1.14 0.00 0.00 0.00 175.76 174.10 1jkn s GLN 105 N 4.03 1.21 -0.45 0.00 -2.07 -0.72 -3.70 119.66 117.95 1jkn s GLN 105 Ca 0.31 -1.28 -0.09 0.00 -1.82 0.00 0.00 55.36 52.47 1jkn s GLN 105 Cb -0.12 -1.39 0.11 0.00 -1.09 0.00 0.00 33.01 30.52 1jkn s GLN 105 CO 0.19 0.30 0.32 0.15 -1.32 0.00 0.00 175.29 174.94 1jkn s LYS 106 N -2.32 2.52 0.41 9.60 1.02 -1.24 0.70 119.74 130.43 1jkn s LYS 106 Ca 0.11 -1.66 -0.25 0.00 0.02 0.00 0.00 55.97 54.19 1jkn s LYS 106 Cb -0.08 -3.88 -0.08 0.00 -0.52 0.00 0.00 37.83 33.26 1jkn s LYS 106 CO 0.05 -1.12 1.21 -1.58 -0.92 0.00 0.00 175.35 172.99 1jkn s TRP 107 N 1.39 2.97 -0.04 3.18 0.52 -1.26 -3.48 118.94 122.22 1jkn s TRP 107 Ca 0.05 1.51 0.05 0.00 0.02 0.00 0.00 56.10 57.73 1jkn s TRP 107 Cb -0.25 -3.47 -0.01 0.00 -1.15 0.00 0.00 33.47 28.59 1jkn s TRP 107 CO 0.00 -1.56 -0.19 -0.06 0.02 0.00 0.00 176.95 175.16 1jkn s PHE 108 N -1.38 1.84 0.03 -1.98 0.40 -0.09 -1.11 117.98 115.69 1jkn s PHE 108 Ca 0.58 -0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 56.09 1jkn s PHE 108 Cb -0.33 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 1jkn s PHE 108 CO 0.41 -0.16 0.98 -1.17 0.70 0.00 0.00 175.22 175.98 1jkn s LEU 109 N -0.04 4.40 -0.10 -0.37 2.96 0.32 0.35 118.68 126.20 1jkn s LEU 109 Ca -0.03 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1jkn s LEU 109 Cb -0.12 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.01 1jkn s LEU 109 CO 0.02 -0.22 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.32 1jkn s PHE 110 N 0.77 1.92 -0.20 5.38 0.40 0.47 0.68 117.98 127.40 1jkn s PHE 110 Ca 0.51 -0.84 -0.19 0.00 -0.60 0.00 0.00 56.93 55.81 1jkn s PHE 110 Cb -0.22 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1jkn s PHE 110 CO 0.28 -0.41 0.57 0.21 0.70 0.00 0.00 175.22 176.57 1jkn s LYS 111 N 0.80 4.19 0.11 0.44 2.47 0.39 -0.78 119.74 127.36 1jkn s LYS 111 Ca -0.11 0.50 -0.31 0.00 -1.56 0.00 0.00 55.97 54.50 1jkn s LYS 111 Cb -0.16 -3.57 -0.08 0.00 -1.46 0.00 0.00 37.83 32.56 1jkn s LYS 111 CO 0.02 -0.20 1.47 0.12 0.16 0.00 0.00 175.35 176.91 1jkn s PHE 112 N 1.80 3.05 -0.24 4.03 5.36 -0.75 -1.57 117.98 129.66 1jkn s PHE 112 Ca 0.26 0.77 0.15 0.00 -0.96 0.00 0.00 56.93 57.15 1jkn s PHE 112 Cb -0.16 -3.78 0.47 0.00 -0.34 0.00 0.00 43.02 39.21 1jkn s PHE 112 CO 0.10 -2.84 1.17 0.25 -1.46 0.00 0.00 175.22 172.43 1jkn n THR 113 N 4.13 1.81 -0.89 0.12 -2.24 0.26 -4.78 114.28 112.69 1jkn n THR 113 Ca 0.13 -3.33 0.00 0.00 -2.27 0.00 0.00 64.05 58.58 1jkn n THR 113 Cb 0.41 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.60 5.51 3.23 3.38 0.00 -1.20 -4.74 105.19 110.76 1jkn n GLY 114 Ca 0.24 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 3.66 0.99 0.29 1.61 1.11 -1.26 -5.00 119.66 121.06 1jkn s GLN 115 Ca 0.00 -1.19 0.13 0.00 0.01 0.00 0.00 55.36 54.31 1jkn s GLN 115 Cb 0.00 -0.89 0.69 0.00 -1.01 0.00 0.00 33.01 31.80 1jkn s GLN 115 CO 0.00 0.17 1.29 -0.25 0.01 0.00 0.00 175.29 176.51 1jkn n ASP 116 N 0.66 0.33 0.14 5.90 8.00 -1.26 0.51 116.55 130.83 1jkn n ASP 116 Ca -0.16 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.01 1jkn n ASP 116 Cb 0.56 -0.52 0.19 0.00 -0.02 0.00 0.00 41.12 41.34 1jkn n ASP 116 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1jkn h GLN 117 N 0.00 0.00 0.00 -1.24 4.20 -2.04 -3.26 115.11 112.77 1jkn h GLN 117 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1jkn h GLN 117 Cb 0.51 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1jkn h GLN 117 CO 0.00 0.00 -0.58 1.49 -0.67 0.00 0.00 178.83 179.07 1jkn h GLU 118 N 0.00 0.00 -6.16 1.46 4.81 -0.32 -3.43 114.58 110.93 1jkn h GLU 118 Ca 0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 1jkn h GLU 118 Cb 0.89 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 1jkn h GLU 118 CO 0.00 0.43 1.29 0.42 -0.73 0.00 0.00 179.01 180.42 1jkn s ILE 119 N -2.99 3.46 -0.45 2.32 1.01 -1.23 -4.10 121.20 119.22 1jkn s ILE 119 Ca 0.03 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.09 1jkn s ILE 119 Cb 0.08 -3.83 0.12 0.00 0.01 0.00 0.00 42.46 38.84 1jkn s ILE 119 CO 0.75 -0.67 0.21 0.21 0.00 0.00 0.00 174.94 175.44 1jkn s ASN 120 N 6.84 4.88 0.60 3.58 3.04 0.30 -4.95 114.94 129.23 1jkn s ASN 120 Ca 0.72 -2.46 0.29 0.00 0.04 0.00 0.00 52.86 51.45 1jkn s ASN 120 Cb -0.17 -1.73 1.48 0.00 -1.54 0.00 0.00 41.25 39.29 1jkn s ASN 120 CO 0.28 -0.39 1.88 -0.07 -3.04 0.00 0.00 177.10 175.76 1jkn h LEU 121 N 7.36 0.00 0.65 3.21 3.38 -1.77 -1.37 115.31 126.77 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 0.64 0.00 -0.31 -0.07 0.09 0.00 0.00 178.44 178.79 1jkn h LEU 122 N 0.00 -0.74 0.00 1.67 3.38 -1.83 -3.38 115.31 114.41 1jkn h LEU 122 Ca 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jkn h LEU 122 Cb 1.12 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1jkn h LEU 122 CO -0.00 -0.43 0.00 0.61 0.09 0.00 0.00 178.44 178.71 1jkn n GLY 123 N -1.01 -0.29 1.98 0.83 0.00 -0.54 -3.96 105.19 102.20 1jkn n GLY 123 Ca -0.13 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 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 6.48 -0.72 1.61 5.75 0.29 -4.68 116.55 128.28 1jkn n ASP 124 Ca 0.00 -3.23 -0.07 0.00 -0.01 0.00 0.00 54.79 51.48 1jkn n ASP 124 Cb 0.00 -1.01 -0.01 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 -0.04 0.40 1.12 6.12 0.00 -1.26 -4.90 105.19 106.62 1jkn n GLY 125 Ca 0.39 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1jkn n GLY 125 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jkn n SER 126 N 0.70 0.58 -4.91 1.61 7.64 -1.26 -5.09 113.62 112.88 1jkn n SER 126 Ca -0.08 0.10 -0.27 0.00 1.01 0.00 0.00 58.87 59.63 1jkn n SER 126 Cb 0.44 -0.16 0.04 0.00 -1.01 0.00 0.00 64.21 63.52 1jkn n SER 126 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jkn s GLU 127 N -1.58 2.84 0.35 1.43 8.01 -1.26 -5.08 118.70 123.41 1jkn s GLU 127 Ca 0.00 0.08 -0.06 0.00 0.01 0.00 0.00 54.97 54.99 1jkn s GLU 127 Cb 0.00 -2.21 -0.05 0.00 -4.31 0.00 0.00 34.13 27.56 1jkn s GLU 127 CO 0.00 -0.82 0.64 -1.59 0.01 0.00 0.00 175.26 173.50 1jkn s LYS 128 N -5.09 3.66 0.53 1.61 0.00 -1.26 -4.57 119.74 114.62 1jkn s LYS 128 Ca 0.55 0.15 -0.18 0.00 0.00 0.00 0.00 55.97 56.49 1jkn s LYS 128 Cb -0.11 -2.54 -0.12 0.00 0.00 0.00 0.00 37.83 35.06 1jkn s LYS 128 CO 0.47 0.09 0.22 -2.30 0.00 0.00 0.00 175.35 173.83 1jkn n PRO 129 N -1.22 0.27 0.00 1.78 -0.02 -1.25 -4.87 135.00 129.68 1jkn n PRO 129 Ca -0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1jkn n PRO 129 Cb 0.54 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 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 0.70 0.00 -4.26 -0.52 4.71 -1.26 -5.04 120.64 114.97 1jkn n GLU 130 Ca 0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 57.02 1jkn n GLU 130 Cb 0.47 -0.21 -0.07 0.00 -1.01 0.00 0.00 31.44 30.62 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 -1.47 2.78 -0.05 -0.32 0.08 -1.26 -2.06 117.98 115.68 1jkn s PHE 131 Ca 0.00 -0.20 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1jkn s PHE 131 Cb 0.00 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 1jkn s PHE 131 CO 0.00 0.60 0.08 0.41 -0.10 0.00 0.00 175.22 176.21 1jkn n GLY 132 N -0.91 0.18 3.61 4.36 0.00 -1.10 -4.67 105.19 106.66 1jkn n GLY 132 Ca -0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.86 1.84 -0.03 1.61 0.41 -1.26 -5.01 118.70 114.40 1jkn s GLU 133 Ca -0.00 -1.48 -0.29 0.00 -0.41 0.00 0.00 54.97 52.79 1jkn s GLU 133 Cb 0.02 0.50 0.07 0.00 -1.78 0.00 0.00 34.13 32.93 1jkn s GLU 133 CO 0.12 -0.79 0.64 1.67 -0.49 0.00 0.00 175.26 176.41 1jkn s TRP 134 N -3.29 -0.61 0.13 1.61 1.48 -1.26 -0.90 118.94 116.10 1jkn s TRP 134 Ca 0.24 0.98 -0.10 0.00 -1.06 0.00 0.00 56.10 56.15 1jkn s TRP 134 Cb -0.02 0.40 0.00 0.00 -1.16 0.00 0.00 33.47 32.69 1jkn s TRP 134 CO 0.14 -0.61 0.27 -1.12 -4.06 0.00 0.00 176.95 171.57 1jkn s SER 135 N -1.35 0.02 -0.21 -2.66 0.01 0.18 -4.97 113.70 104.72 1jkn s SER 135 Ca -0.10 -0.68 -0.15 0.00 1.31 0.00 0.00 55.95 56.33 1jkn s SER 135 Cb -0.00 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 1jkn s SER 135 CO 0.07 -0.83 0.34 0.26 0.41 0.00 0.00 173.24 173.50 1jkn s TRP 136 N -3.89 3.36 0.04 2.43 0.52 -1.26 -1.30 118.94 118.83 1jkn s TRP 136 Ca 0.09 0.53 0.01 0.00 0.02 0.00 0.00 56.10 56.75 1jkn s TRP 136 Cb 0.04 -2.46 -0.02 0.00 -1.15 0.00 0.00 33.47 29.87 1jkn s TRP 136 CO -0.07 0.01 -0.06 0.14 0.02 0.00 0.00 176.95 177.00 1jkn s VAL 137 N 1.24 0.38 0.73 4.03 -7.23 -1.13 -4.88 120.40 113.53 1jkn s VAL 137 Ca 0.16 -1.09 -0.12 0.00 -1.81 0.00 0.00 61.98 59.12 1jkn s VAL 137 Cb -0.14 -0.58 0.03 0.00 0.56 0.00 0.00 36.38 36.25 1jkn s VAL 137 CO 0.07 -0.48 1.09 0.42 -0.31 0.00 0.00 175.10 175.89 1jkn s THR 138 N -1.64 3.46 0.59 5.32 -4.23 -1.26 0.93 115.64 118.81 1jkn s THR 138 Ca -0.10 0.52 0.32 0.00 -1.18 0.00 0.00 61.69 61.24 1jkn s THR 138 Cb -0.08 -3.06 0.32 0.00 1.34 0.00 0.00 72.50 71.02 1jkn s THR 138 CO -0.01 -0.57 1.96 1.55 -0.54 0.00 0.00 174.62 177.01 1jkn h PRO 139 N -0.76 0.00 0.04 3.99 0.13 -1.96 0.30 132.00 133.75 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 0.53 0.00 -1.88 0.39 -0.23 0.00 0.00 178.00 176.81 1jkn n GLU 140 N -2.85 0.68 -0.03 0.86 4.71 -1.26 -3.55 120.64 119.21 1jkn n GLU 140 Ca -0.02 0.26 -0.13 0.00 -0.01 0.00 0.00 57.16 57.26 1jkn n GLU 140 Cb 0.30 -1.74 -0.11 0.00 -1.01 0.00 0.00 31.44 28.88 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 -0.00 -0.56 3.49 1.08 -0.90 -2.86 115.11 115.37 1jkn h GLN 141 Ca -0.36 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.00 1jkn h GLN 141 Cb 2.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.44 1jkn h GLN 141 CO 0.07 0.61 0.42 1.25 -0.95 0.00 0.00 178.83 180.22 1jkn h LEU 142 N -0.61 0.00 -1.13 1.46 5.85 -0.80 1.07 115.31 121.14 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 -0.40 0.40 -0.34 0.00 0.00 178.44 178.10 1jkn h ILE 143 N 0.00 1.13 0.00 4.05 1.08 -1.58 0.22 117.51 122.41 1jkn h ILE 143 Ca 0.27 -1.45 -0.02 0.00 -0.39 0.00 0.00 64.86 63.26 1jkn h ILE 143 Cb 1.09 1.82 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1jkn h ILE 143 CO -0.00 0.39 -0.15 0.44 -0.69 0.00 0.00 178.15 178.14 1jkn h ASP 144 N 0.00 0.00 0.23 1.72 5.19 0.14 -3.25 116.42 120.44 1jkn h ASP 144 Ca -0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1jkn h ASP 144 Cb 0.79 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.31 1jkn h ASP 144 CO 0.05 0.10 -1.69 -0.07 -3.12 0.00 0.00 179.24 174.52 1jkn h LEU 145 N 0.00 0.64-10.09 1.55 3.38 -0.63 -3.47 115.31 106.69 1jkn h LEU 145 Ca -0.00 -0.89 -0.48 0.00 0.09 0.00 0.00 57.88 56.59 1jkn h LEU 145 Cb 1.08 -0.21 0.21 0.00 0.09 0.00 0.00 40.66 41.83 1jkn h LEU 145 CO 0.01 1.75 -0.11 0.41 0.09 0.00 0.00 178.44 180.59 1jkn n THR 146 N -3.60 0.00 -3.44 0.22 -1.04 0.00 -4.27 114.28 102.15 1jkn n THR 146 Ca -0.23 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.31 1jkn n THR 146 Cb 1.08 -0.92 -0.01 0.00 -1.82 0.00 0.00 70.33 68.66 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 -2.47 4.94 0.56 12.58 0.11 -1.26 -4.89 120.40 129.97 1jkn s VAL 147 Ca 0.65 -0.59 0.25 0.00 -2.93 0.00 0.00 61.98 59.36 1jkn s VAL 147 Cb -0.23 -3.79 0.32 0.00 -1.53 0.00 0.00 36.38 31.16 1jkn s VAL 147 CO 0.63 -0.47 2.21 -0.33 -3.33 0.00 0.00 175.10 173.82 1jkn h GLU 148 N 0.79 0.00 -0.45 1.54 5.08 -1.95 0.15 114.58 119.74 1jkn h GLU 148 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1jkn h GLU 148 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1jkn h GLU 148 CO 0.60 0.00 0.00 1.97 -1.00 0.00 0.00 179.01 180.58 1jkn n PHE 149 N -4.11 0.61 -1.77 4.33 1.16 -1.26 -3.99 117.46 112.43 1jkn n PHE 149 Ca -0.03 -0.29 0.00 0.00 -1.87 0.00 0.00 57.45 55.26 1jkn n PHE 149 Cb 0.09 -0.03 0.00 0.00 -1.61 0.00 0.00 39.48 37.93 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 0.68 0.00 0.20 3.97 5.02 -0.43 -4.42 118.16 123.19 1jkn n LYS 150 Ca 0.14 -0.29 -0.08 0.00 -2.02 0.00 0.00 58.31 56.05 1jkn n LYS 150 Cb 0.39 -0.21 -0.04 0.00 -0.02 0.00 0.00 35.03 35.15 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 -0.53 -0.89 1.97 1.57 -0.90 -3.15 116.57 114.65 1jkn h LYS 151 Ca 0.00 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1jkn h LYS 151 Cb 1.07 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.40 1jkn h LYS 151 CO 0.00 -0.35 0.47 -1.00 -0.57 0.00 0.00 179.45 178.00 1jkn h PRO 152 N -0.89 0.62 -0.28 3.15 0.13 -1.87 0.26 132.00 133.12 1jkn h PRO 152 Ca -0.06 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 65.12 1jkn h PRO 152 Cb 0.42 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1jkn h PRO 152 CO 0.09 0.41 0.26 0.28 -0.23 0.00 0.00 178.00 178.81 1jkn h VAL 153 N 0.64 0.58 0.00 1.56 2.07 -1.89 0.10 116.25 119.32 1jkn h VAL 153 Ca 0.50 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.84 1jkn h VAL 153 Cb 0.73 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1jkn h VAL 153 CO -0.38 0.00 -1.11 -1.22 0.02 0.00 0.00 177.57 174.88 1jkn n TYR 154 N -4.02 0.93 -0.22 1.57 4.02 0.67 -3.66 117.16 116.45 1jkn n TYR 154 Ca 0.04 0.40 0.26 0.00 -0.01 0.00 0.00 57.90 58.60 1jkn n TYR 154 Cb 0.41 -0.99 0.65 0.00 -0.02 0.00 0.00 39.34 39.39 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 0.13 -0.27 -0.72 3.64 -0.53 0.41 116.57 118.23 1jkn h LYS 155 Ca -0.26 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.05 1jkn h LYS 155 Cb 1.09 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1jkn h LYS 155 CO -0.16 0.09 -0.08 1.49 -2.27 0.00 0.00 179.45 178.52 1jkn h GLU 156 N 0.14 0.53 -0.41 1.90 4.57 -0.96 0.44 114.58 120.79 1jkn h GLU 156 Ca 0.47 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1jkn h GLU 156 Cb 1.61 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.15 1jkn h GLU 156 CO -0.08 0.75 0.23 0.28 -1.18 0.00 0.00 179.01 179.01 1jkn h VAL 157 N 0.28 1.14 -0.09 0.32 2.07 -0.35 -0.61 116.25 119.02 1jkn h VAL 157 Ca 0.07 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1jkn h VAL 157 Cb 0.56 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1jkn h VAL 157 CO 0.03 0.15 0.02 -0.07 0.02 0.00 0.00 177.57 177.72 1jkn h LEU 158 N 0.53 0.14 -0.65 2.57 3.38 -0.96 -1.62 115.31 118.70 1jkn h LEU 158 Ca 0.15 -0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.00 1jkn h LEU 158 Cb 0.03 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1jkn h LEU 158 CO -0.02 0.35 0.05 -1.28 0.09 0.00 0.00 178.44 177.63 1jkn h SER 159 N -0.08 -0.19 0.58 -0.43 0.87 0.16 1.70 113.55 116.16 1jkn h SER 159 Ca 0.03 0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1jkn h SER 159 Cb 0.27 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1jkn h SER 159 CO 0.00 -0.09 -0.21 0.58 -0.53 0.00 0.00 176.83 176.58 1jkn h VAL 160 N 0.16 0.70 -0.56 2.23 2.07 -0.97 -2.44 116.25 117.43 1jkn h VAL 160 Ca 0.35 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1jkn h VAL 160 Cb 0.57 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1jkn h VAL 160 CO -0.52 0.21 0.00 0.49 0.02 0.00 0.00 177.57 177.77 1jkn n PHE 161 N -3.62 0.75 0.12 1.57 3.72 0.21 -4.62 117.46 115.60 1jkn n PHE 161 Ca -0.01 -0.43 -0.14 0.00 -0.05 0.00 0.00 57.45 56.82 1jkn n PHE 161 Cb 0.35 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.81 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 3.86 -0.72 -0.06 4.37 0.00 0.27 -0.34 119.26 126.64 1jkn h ALA 162 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jkn h ALA 162 Cb 0.93 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1jkn h ALA 162 CO 0.00 -0.97 0.15 -1.00 0.00 0.00 0.00 179.25 177.43 1jkn h PRO 163 N -0.65 0.00 0.00 0.00 0.13 -1.82 0.21 132.00 129.88 1jkn h PRO 163 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1jkn h PRO 163 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1jkn h PRO 163 CO -0.23 0.00 -0.71 0.72 -0.23 0.00 0.00 178.00 177.55 1jkn n HIS 164 N -3.29 0.42 0.58 1.56 8.25 -0.38 -5.22 115.22 117.13 1jkn n HIS 164 Ca -0.01 0.12 0.07 0.00 -0.26 0.00 0.00 57.72 57.64 1jkn n HIS 164 Cb 0.23 -0.56 0.06 0.00 1.12 0.00 0.00 29.99 30.84 1jkn n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26