#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbc n ASP 2 N 0.00 -1.65 -4.30 0.00 8.00 -1.26 -5.05 116.55 112.29 1jbc n ASP 2 Ca 0.00 0.01 -0.34 0.00 0.71 0.00 0.00 54.79 55.17 1jbc n ASP 2 Cb 0.00 -1.20 -0.14 0.00 -0.02 0.00 0.00 41.12 39.76 1jbc n ASP 2 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jbc s THR 3 N -2.39 3.10 -0.08 -3.53 2.01 -1.26 -5.04 115.64 108.45 1jbc s THR 3 Ca 0.63 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.07 1jbc s THR 3 Cb -0.21 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1jbc s THR 3 CO 0.65 0.47 -0.20 -0.63 -0.69 0.00 0.00 174.62 174.21 1jbc s ILE 4 N 1.15 1.76 -0.10 1.82 -1.09 -1.26 -3.17 121.20 120.31 1jbc s ILE 4 Ca 0.01 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 57.61 1jbc s ILE 4 Cb -0.14 -1.53 -0.01 0.00 -1.58 0.00 0.00 42.46 39.20 1jbc s ILE 4 CO -0.02 0.49 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.28 1jbc s VAL 5 N 0.33 2.39 0.04 2.92 1.01 -0.67 -0.69 120.40 125.73 1jbc s VAL 5 Ca -0.14 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.81 1jbc s VAL 5 Cb -0.16 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1jbc s VAL 5 CO 0.06 0.55 0.26 0.00 0.00 0.00 0.00 175.10 175.98 1jbc s ALA 6 N 0.22 -0.58 -0.27 5.51 0.00 0.11 -0.68 121.76 126.07 1jbc s ALA 6 Ca -0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.70 1jbc s ALA 6 Cb -0.16 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 1jbc s ALA 6 CO 0.07 -0.38 0.06 0.08 0.00 0.00 0.00 175.76 175.59 1jbc s VAL 7 N -2.42 3.92 -0.09 0.00 1.01 0.04 -0.58 120.40 122.28 1jbc s VAL 7 Ca -0.06 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1jbc s VAL 7 Cb -0.01 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1jbc s VAL 7 CO -0.03 0.18 0.12 -1.83 0.00 0.00 0.00 175.10 173.54 1jbc s GLU 8 N 1.51 3.35 -0.63 2.72 -1.05 -0.14 -1.56 118.70 122.90 1jbc s GLU 8 Ca 0.04 -0.22 -0.06 0.00 -0.15 0.00 0.00 54.97 54.58 1jbc s GLU 8 Cb -0.16 -3.10 0.16 0.00 -0.44 0.00 0.00 34.13 30.59 1jbc s GLU 8 CO 0.02 0.75 0.48 -0.51 0.95 0.00 0.00 175.26 176.95 1jbc s LEU 9 N -1.16 5.62 -0.40 1.83 1.43 0.63 -1.18 118.68 125.45 1jbc s LEU 9 Ca 0.17 -2.65 -0.16 0.00 -1.03 0.00 0.00 54.13 50.46 1jbc s LEU 9 Cb -0.12 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1jbc s LEU 9 CO 0.06 -0.47 0.38 -0.62 0.23 0.00 0.00 176.35 175.93 1jbc s ASP 10 N 1.33 6.16 0.06 2.29 -1.08 -0.10 -1.68 116.67 123.65 1jbc s ASP 10 Ca 0.15 -0.64 0.25 0.00 -0.52 0.00 0.00 52.55 51.79 1jbc s ASP 10 Cb -0.19 -2.20 0.56 0.00 -1.46 0.00 0.00 42.92 39.63 1jbc s ASP 10 CO -0.04 -0.49 1.47 0.35 0.52 0.00 0.00 175.17 176.98 1jbc n THR 11 N 5.31 0.18 -4.32 1.71 -2.24 -0.80 -1.52 114.28 112.61 1jbc n THR 11 Ca -0.09 -0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1jbc n THR 11 Cb 0.48 -0.06 -0.17 0.00 -2.10 0.00 0.00 70.33 68.49 1jbc n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jbc s TYR 12 N -3.07 1.51 -0.46 4.78 6.14 -1.25 -4.57 117.35 120.42 1jbc s TYR 12 Ca 0.09 -0.65 -0.27 0.00 0.64 0.00 0.00 57.07 56.89 1jbc s TYR 12 Cb 0.16 -1.16 0.03 0.00 0.42 0.00 0.00 41.96 41.41 1jbc s TYR 12 CO 0.68 -0.38 1.03 -1.25 0.64 0.00 0.00 175.55 176.27 1jbc s PRO 13 N 1.07 3.65 -0.74 4.97 0.04 -1.26 -4.96 135.00 137.77 1jbc s PRO 13 Ca -0.07 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.24 1jbc s PRO 13 Cb -0.14 -3.91 0.19 0.00 0.04 0.00 0.00 34.50 30.68 1jbc s PRO 13 CO -0.01 -1.28 0.66 -0.80 0.04 0.00 0.00 177.00 175.61 1jbc s ASN 14 N 2.33 6.43 0.39 6.66 -0.87 -1.26 -4.96 114.94 123.67 1jbc s ASN 14 Ca 0.43 -2.53 0.19 0.00 -1.57 0.00 0.00 52.86 49.37 1jbc s ASN 14 Cb -0.09 -2.16 0.79 0.00 -0.02 0.00 0.00 41.25 39.78 1jbc s ASN 14 CO 0.28 -0.60 1.80 0.71 -2.57 0.00 0.00 177.10 176.72 1jbc h THR 15 N 5.08 0.90 0.00 1.60 1.35 -1.89 -2.32 112.91 117.64 1jbc h THR 15 Ca 0.01 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1jbc h THR 15 Cb 1.04 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1jbc h THR 15 CO 0.80 0.33 0.00 -0.90 -0.25 0.00 0.00 175.52 175.50 1jbc n ASP 16 N -3.64 0.00 -0.41 5.36 5.75 -1.26 -2.23 116.55 120.12 1jbc n ASP 16 Ca -0.01 -0.40 0.07 0.00 -0.01 0.00 0.00 54.79 54.45 1jbc n ASP 16 Cb 0.45 -0.16 0.18 0.00 -1.03 0.00 0.00 41.12 40.57 1jbc n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1jbc n ILE 17 N -1.16 2.09 -0.57 2.12 -5.35 -0.90 -4.98 119.36 110.62 1jbc n ILE 17 Ca 0.15 -2.81 0.00 0.00 -0.27 0.00 0.00 62.75 59.82 1jbc n ILE 17 Cb 0.15 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 1jbc n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jbc n GLY 18 N -1.24 0.87 3.76 3.28 0.00 -0.95 -4.55 105.19 106.36 1jbc n GLY 18 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1jbc n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbc n ASP 19 N 0.00 3.27 -4.63 1.61 8.00 -1.03 -4.93 116.55 118.84 1jbc n ASP 19 Ca 0.00 1.12 -0.29 0.00 0.71 0.00 0.00 54.79 56.33 1jbc n ASP 19 Cb 0.00 -1.60 0.19 0.00 -0.02 0.00 0.00 41.12 39.70 1jbc n ASP 19 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1jbc s PRO 20 N -2.44 0.09 -0.16 -0.24 0.04 -1.26 -4.35 135.00 126.68 1jbc s PRO 20 Ca 0.61 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 1jbc s PRO 20 Cb -0.45 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1jbc s PRO 20 CO 0.57 -2.98 2.46 0.43 0.04 0.00 0.00 177.00 177.52 1jbc n SER 21 N -4.36 5.81 -3.60 6.66 7.64 -1.26 -4.64 113.62 119.87 1jbc n SER 21 Ca 0.05 -2.73 -0.07 0.00 1.01 0.00 0.00 58.87 57.13 1jbc n SER 21 Cb 0.56 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 1jbc n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1jbc s TYR 22 N -0.56 -0.27 0.62 1.43 -0.85 -1.26 -5.00 117.35 111.45 1jbc s TYR 22 Ca 0.31 0.07 -0.19 0.00 -0.52 0.00 0.00 57.07 56.75 1jbc s TYR 22 Cb 0.19 0.58 -0.03 0.00 0.38 0.00 0.00 41.96 43.08 1jbc s TYR 22 CO -0.03 -0.67 1.19 -2.30 -1.52 0.00 0.00 175.55 172.22 1jbc n PRO 23 N -0.34 1.12 -3.53 -3.49 -0.02 -1.26 -4.64 135.00 122.84 1jbc n PRO 23 Ca -0.08 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1jbc n PRO 23 Cb 0.62 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1jbc n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1jbc s HIS 24 N -1.41 -0.42 -0.06 6.00 -3.43 -0.57 -1.36 115.29 114.03 1jbc s HIS 24 Ca 0.79 0.29 -0.03 0.00 -0.80 0.00 0.00 55.06 55.31 1jbc s HIS 24 Cb -0.40 0.41 -0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1jbc s HIS 24 CO 0.44 -0.73 0.10 0.96 -2.00 0.00 0.00 174.74 173.51 1jbc s ILE 25 N -3.24 5.04 0.04 -5.38 -4.36 -0.47 -0.92 121.20 111.91 1jbc s ILE 25 Ca -0.01 -0.12 -0.09 0.00 -0.26 0.00 0.00 60.65 60.16 1jbc s ILE 25 Cb -0.00 -3.24 0.00 0.00 1.25 0.00 0.00 42.46 40.47 1jbc s ILE 25 CO -0.08 0.49 0.19 -0.83 0.24 0.00 0.00 174.94 174.95 1jbc s GLY 26 N -1.37 0.04 -0.24 6.27 0.00 -0.32 -0.81 107.32 110.89 1jbc s GLY 26 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.55 1jbc s GLY 26 CO 0.09 -0.47 0.05 -0.42 0.00 0.00 0.00 173.10 172.35 1jbc s ILE 27 N -2.59 4.16 -0.25 0.90 1.01 -0.41 -0.96 121.20 123.06 1jbc s ILE 27 Ca -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 1jbc s ILE 27 Cb -0.01 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1jbc s ILE 27 CO -0.04 0.36 -0.02 -1.81 0.00 0.00 0.00 174.94 173.43 1jbc s ASP 28 N 1.52 4.49 -0.45 3.58 1.01 0.26 -0.79 116.67 126.28 1jbc s ASP 28 Ca 0.06 -0.73 -0.01 0.00 0.71 0.00 0.00 52.55 52.58 1jbc s ASP 28 Cb -0.15 -1.73 0.12 0.00 1.01 0.00 0.00 42.92 42.17 1jbc s ASP 28 CO 0.02 -0.12 0.23 -0.63 0.21 0.00 0.00 175.17 174.89 1jbc s ILE 29 N 1.40 3.10 -0.94 0.77 -1.09 -1.26 -0.72 121.20 122.47 1jbc s ILE 29 Ca 0.02 -2.44 0.00 0.00 -2.23 0.00 0.00 60.65 56.00 1jbc s ILE 29 Cb -0.16 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 1jbc s ILE 29 CO -0.03 -0.72 0.00 0.29 -1.23 0.00 0.00 174.94 173.25 1jbc n LYS 30 N 4.13 -1.24 -3.57 2.79 5.02 0.14 -4.93 118.16 120.49 1jbc n LYS 30 Ca 0.02 0.75 -0.16 0.00 -2.02 0.00 0.00 58.31 56.90 1jbc n LYS 30 Cb 0.40 -4.88 -0.07 0.00 -0.02 0.00 0.00 35.03 30.46 1jbc n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jbc s SER 31 N -2.48 -0.66 0.59 4.39 0.15 -1.26 -4.95 113.70 109.48 1jbc s SER 31 Ca 0.00 0.92 0.37 0.00 0.70 0.00 0.00 55.95 57.94 1jbc s SER 31 Cb 0.00 0.82 1.83 0.00 -1.71 0.00 0.00 66.02 66.97 1jbc s SER 31 CO 0.00 -0.48 2.17 1.62 1.20 0.00 0.00 173.24 177.75 1jbc h VAL 32 N 3.39 0.14 -1.35 4.45 3.04 -1.84 -3.39 116.25 120.69 1jbc h VAL 32 Ca -0.28 -0.30 -0.59 0.00 -1.01 0.00 0.00 66.70 64.52 1jbc h VAL 32 Cb 1.15 1.26 -0.10 0.00 -2.01 0.00 0.00 31.29 31.59 1jbc h VAL 32 CO 0.28 0.03 1.41 -0.13 -1.01 0.00 0.00 177.57 178.15 1jbc s ARG 33 N -4.00 3.52 0.41 4.17 0.52 -1.26 -4.96 118.95 117.34 1jbc s ARG 33 Ca -0.02 -0.98 -0.24 0.00 -0.52 0.00 0.00 55.73 53.96 1jbc s ARG 33 Cb 0.12 -5.15 -0.11 0.00 0.52 0.00 0.00 34.95 30.33 1jbc s ARG 33 CO 0.50 -2.19 0.96 0.43 0.02 0.00 0.00 175.30 175.02 1jbc n SER 34 N 8.93 1.04 0.18 0.23 7.64 -1.26 -4.82 113.62 125.56 1jbc n SER 34 Ca 0.28 1.04 0.06 0.00 1.01 0.00 0.00 58.87 61.25 1jbc n SER 34 Cb 0.51 -1.32 0.26 0.00 -1.01 0.00 0.00 64.21 62.64 1jbc n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jbc h LYS 35 N 1.50 0.00 -2.35 1.43 1.79 -1.30 -3.45 116.57 114.19 1jbc h LYS 35 Ca -0.43 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 57.96 1jbc h LYS 35 Cb 1.34 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.77 1jbc h LYS 35 CO 0.57 0.38 -0.05 0.21 -1.08 0.00 0.00 179.45 179.48 1jbc s LYS 36 N -3.39 0.66 0.20 3.15 2.47 -1.24 -5.01 119.74 116.58 1jbc s LYS 36 Ca 0.02 0.81 0.02 0.00 -1.56 0.00 0.00 55.97 55.26 1jbc s LYS 36 Cb 0.10 0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 36.73 1jbc s LYS 36 CO 0.69 -0.08 0.01 0.95 0.16 0.00 0.00 175.35 177.08 1jbc s THR 37 N 0.38 0.77 -0.01 3.43 -4.23 -1.26 -1.28 115.64 113.44 1jbc s THR 37 Ca -0.01 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.43 1jbc s THR 37 Cb -0.04 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.54 1jbc s THR 37 CO -0.00 -0.36 0.15 0.00 -0.54 0.00 0.00 174.62 173.87 1jbc s ALA 38 N -3.59 -0.36 0.35 3.99 0.00 0.01 -4.99 121.76 117.17 1jbc s ALA 38 Ca 0.27 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1jbc s ALA 38 Cb 0.06 0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.08 1jbc s ALA 38 CO 0.07 -0.18 1.50 1.17 0.00 0.00 0.00 175.76 178.32 1jbc n LYS 39 N 1.81 2.63 -3.91 0.00 4.81 -1.26 -1.37 118.16 120.86 1jbc n LYS 39 Ca -0.20 0.93 -0.28 0.00 -0.87 0.00 0.00 58.31 57.88 1jbc n LYS 39 Cb 0.56 -2.66 -0.17 0.00 0.02 0.00 0.00 35.03 32.79 1jbc n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1jbc s TRP 40 N -0.75 1.71 -1.30 5.64 -0.00 -0.47 -4.74 118.94 119.03 1jbc s TRP 40 Ca 0.57 -1.04 -0.13 0.00 -0.00 0.00 0.00 56.10 55.50 1jbc s TRP 40 Cb -0.49 -1.33 0.12 0.00 -0.00 0.00 0.00 33.47 31.77 1jbc s TRP 40 CO 0.59 -0.60 1.80 0.09 -0.00 0.00 0.00 176.95 178.82 1jbc n ASN 41 N 4.87 4.86 -4.77 5.86 5.03 -1.26 -4.33 115.26 125.52 1jbc n ASN 41 Ca -0.12 -2.98 -0.40 0.00 0.87 0.00 0.00 54.58 51.94 1jbc n ASN 41 Cb 0.48 -1.59 0.00 0.00 -1.02 0.00 0.00 39.78 37.65 1jbc n ASN 41 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1jbc s MET 42 N 2.00 3.96 -0.29 3.52 -2.45 -1.26 -5.00 119.30 119.79 1jbc s MET 42 Ca 0.45 2.47 0.01 0.00 -1.25 0.00 0.00 55.69 57.36 1jbc s MET 42 Cb 0.06 -2.85 0.06 0.00 1.25 0.00 0.00 34.83 33.35 1jbc s MET 42 CO -0.00 -0.61 -0.05 -0.65 1.05 0.00 0.00 175.02 174.76 1jbc s GLN 43 N -2.21 2.27 0.03 4.11 -0.21 -1.26 -5.08 119.66 117.31 1jbc s GLN 43 Ca 0.56 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 54.28 1jbc s GLN 43 Cb -0.44 -3.05 -0.08 0.00 1.00 0.00 0.00 33.01 30.44 1jbc s GLN 43 CO 0.59 -0.63 1.75 1.21 -2.12 0.00 0.00 175.29 176.09 1jbc s ASN 44 N 1.17 6.56 0.00 5.90 3.84 -1.26 -2.31 114.94 128.85 1jbc s ASN 44 Ca -0.06 2.49 0.00 0.00 0.21 0.00 0.00 52.86 55.50 1jbc s ASN 44 Cb -0.20 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 1jbc s ASN 44 CO -0.04 -0.95 0.00 0.61 -2.79 0.00 0.00 177.10 173.93 1jbc n GLY 45 N 4.19 0.75 3.66 1.21 0.00 0.54 -4.97 105.19 110.57 1jbc n GLY 45 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1jbc n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jbc s LYS 46 N -0.47 2.57 -0.11 1.61 2.20 -0.98 -4.96 119.74 119.62 1jbc s LYS 46 Ca 0.00 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 1jbc s LYS 46 Cb 0.00 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 1jbc s LYS 46 CO 0.00 0.57 1.10 0.08 -0.36 0.00 0.00 175.35 176.74 1jbc s VAL 47 N -1.18 4.55 0.38 4.02 1.01 -1.26 -4.38 120.40 123.55 1jbc s VAL 47 Ca 0.22 1.85 0.08 0.00 0.00 0.00 0.00 61.98 64.13 1jbc s VAL 47 Cb -0.11 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1jbc s VAL 47 CO 0.14 -0.03 0.11 -0.83 0.00 0.00 0.00 175.10 174.49 1jbc s GLY 48 N 1.30 2.22 -0.03 4.51 0.00 -0.28 -4.48 107.32 110.56 1jbc s GLY 48 Ca 0.51 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 43.19 1jbc s GLY 48 CO 0.18 -1.91 -0.05 -1.59 0.00 0.00 0.00 173.10 169.74 1jbc s THR 49 N -2.56 0.49 0.00 0.90 2.01 -0.57 -1.35 115.64 114.56 1jbc s THR 49 Ca 0.38 -0.15 0.06 0.00 0.31 0.00 0.00 61.69 62.29 1jbc s THR 49 Cb 0.02 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1jbc s THR 49 CO 0.21 0.19 -0.18 0.00 -0.69 0.00 0.00 174.62 174.16 1jbc s ALA 50 N 0.57 2.57 -0.04 7.40 0.00 -0.11 -1.65 121.76 130.50 1jbc s ALA 50 Ca -0.07 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.82 1jbc s ALA 50 Cb -0.11 -0.79 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 1jbc s ALA 50 CO -0.00 0.56 -0.17 -1.01 0.00 0.00 0.00 175.76 175.15 1jbc s HIS 51 N -0.82 1.65 -0.06 0.00 3.76 0.08 -1.22 115.29 118.68 1jbc s HIS 51 Ca 0.13 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1jbc s HIS 51 Cb -0.10 -1.11 0.01 0.00 1.11 0.00 0.00 32.58 32.48 1jbc s HIS 51 CO 0.03 -0.15 -0.12 0.42 -0.85 0.00 0.00 174.74 174.06 1jbc s ILE 52 N 0.03 1.11 0.02 0.60 1.09 0.22 -1.25 121.20 123.02 1jbc s ILE 52 Ca -0.03 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.03 1jbc s ILE 52 Cb -0.11 -1.00 -0.02 0.00 -1.06 0.00 0.00 42.46 40.27 1jbc s ILE 52 CO 0.02 0.34 -0.02 0.27 -0.10 0.00 0.00 174.94 175.46 1jbc s ILE 53 N 0.50 0.10 -0.07 2.92 -4.36 -0.00 -0.90 121.20 119.40 1jbc s ILE 53 Ca -0.11 -0.86 -0.30 0.00 -0.26 0.00 0.00 60.65 59.11 1jbc s ILE 53 Cb -0.14 -0.27 0.07 0.00 1.25 0.00 0.00 42.46 43.37 1jbc s ILE 53 CO 0.03 -0.48 0.68 -0.47 0.24 0.00 0.00 174.94 174.94 1jbc s TYR 54 N -1.41 -0.66 0.04 1.37 5.04 -0.77 -1.56 117.35 119.40 1jbc s TYR 54 Ca -0.15 1.19 -0.11 0.00 -2.44 0.00 0.00 57.07 55.56 1jbc s TYR 54 Cb -0.10 0.39 0.01 0.00 0.35 0.00 0.00 41.96 42.62 1jbc s TYR 54 CO -0.01 -0.58 0.24 0.54 -1.34 0.00 0.00 175.55 174.39 1jbc s ASN 55 N -1.04 -0.03 0.00 4.32 2.20 -1.26 -1.23 114.94 117.90 1jbc s ASN 55 Ca -0.10 -0.29 0.26 0.00 -0.94 0.00 0.00 52.86 51.79 1jbc s ASN 55 Cb -0.01 0.31 1.15 0.00 -2.00 0.00 0.00 41.25 40.70 1jbc s ASN 55 CO 0.09 -0.57 1.85 -1.54 -2.94 0.00 0.00 177.10 173.99 1jbc n SER 56 N 0.68 0.00 -0.06 3.54 3.41 0.59 -0.88 113.62 120.89 1jbc n SER 56 Ca -0.19 0.42 -0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1jbc n SER 56 Cb 0.59 -0.47 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 1jbc n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1jbc h VAL 57 N 0.00 1.63 0.00 -3.33 2.07 -1.90 -3.38 116.25 111.35 1jbc h VAL 57 Ca 0.00 -2.09 -0.12 0.00 0.82 0.00 0.00 66.70 65.31 1jbc h VAL 57 Cb 0.42 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 1jbc h VAL 57 CO 0.00 0.53 -0.81 0.44 0.02 0.00 0.00 177.57 177.75 1jbc h ASP 58 N -0.93 0.00 -5.82 0.57 3.32 -1.96 -3.48 116.42 108.12 1jbc h ASP 58 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1jbc h ASP 58 Cb 0.87 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.55 1jbc h ASP 58 CO 0.00 0.50 -0.79 0.29 -1.72 0.00 0.00 179.24 177.52 1jbc n LYS 59 N -3.10 -5.89 -3.73 3.56 5.02 -0.06 -4.91 118.16 109.05 1jbc n LYS 59 Ca -0.02 0.76 -0.24 0.00 -2.02 0.00 0.00 58.31 56.79 1jbc n LYS 59 Cb 0.76 -5.60 -0.17 0.00 -0.02 0.00 0.00 35.03 30.00 1jbc n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jbc s ARG 60 N -5.59 0.48 -0.23 1.97 3.52 -1.26 -1.04 118.95 116.80 1jbc s ARG 60 Ca 0.01 -0.02 -0.21 0.00 -0.13 0.00 0.00 55.73 55.38 1jbc s ARG 60 Cb -0.00 -1.31 -0.02 0.00 -1.56 0.00 0.00 34.95 32.06 1jbc s ARG 60 CO 0.76 -0.43 0.66 -1.17 -0.81 0.00 0.00 175.30 174.31 1jbc s LEU 61 N 1.98 4.09 0.07 -0.88 2.96 -0.37 -4.38 118.68 122.16 1jbc s LEU 61 Ca 0.03 0.80 0.05 0.00 -0.22 0.00 0.00 54.13 54.79 1jbc s LEU 61 Cb -0.14 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1jbc s LEU 61 CO -0.06 -0.36 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.03 1jbc s SER 62 N 1.36 1.70 0.02 3.68 0.01 -0.60 -0.99 113.70 118.88 1jbc s SER 62 Ca 0.28 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 1jbc s SER 62 Cb -0.16 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 1jbc s SER 62 CO 0.09 -0.05 0.02 0.00 0.41 0.00 0.00 173.24 173.71 1jbc s ALA 63 N -1.19 0.01 -0.01 1.44 0.00 -0.01 -0.82 121.76 121.18 1jbc s ALA 63 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1jbc s ALA 63 Cb -0.10 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1jbc s ALA 63 CO 0.02 -0.20 -0.06 0.08 0.00 0.00 0.00 175.76 175.61 1jbc s VAL 64 N -1.71 0.46 -0.00 0.00 1.01 -0.38 -1.54 120.40 118.25 1jbc s VAL 64 Ca -0.13 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1jbc s VAL 64 Cb -0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1jbc s VAL 64 CO -0.01 0.14 -0.10 0.54 0.00 0.00 0.00 175.10 175.67 1jbc s VAL 65 N 0.01 0.79 0.22 2.92 0.11 -0.13 -0.74 120.40 123.58 1jbc s VAL 65 Ca 0.00 -0.49 -0.11 0.00 -2.93 0.00 0.00 61.98 58.46 1jbc s VAL 65 Cb -0.04 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1jbc s VAL 65 CO -0.00 0.18 0.40 -0.94 -3.33 0.00 0.00 175.10 171.40 1jbc s SER 66 N -0.35 -0.05 0.18 3.54 1.04 -0.66 -0.97 113.70 116.43 1jbc s SER 66 Ca 0.03 -0.94 0.08 0.00 0.48 0.00 0.00 55.95 55.60 1jbc s SER 66 Cb -0.04 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1jbc s SER 66 CO -0.00 -1.05 -0.17 -0.31 0.98 0.00 0.00 173.24 172.69 1jbc s TYR 67 N -4.01 1.81 0.46 5.02 2.02 -1.26 -1.51 117.35 119.87 1jbc s TYR 67 Ca 0.22 -0.49 -0.24 0.00 -0.37 0.00 0.00 57.07 56.20 1jbc s TYR 67 Cb 0.01 -0.88 -0.09 0.00 -0.40 0.00 0.00 41.96 40.61 1jbc s TYR 67 CO 0.07 0.35 1.16 -2.30 -1.57 0.00 0.00 175.55 173.26 1jbc n PRO 68 N 0.08 1.59 -1.02 -1.71 -0.02 -1.26 -2.11 135.00 130.55 1jbc n PRO 68 Ca -0.11 0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 61.93 1jbc n PRO 68 Cb 0.58 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1jbc n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jbc n ASN 69 N 0.02 -4.99 -4.29 2.55 3.02 -1.26 -4.98 115.26 105.34 1jbc n ASN 69 Ca 0.09 0.02 -0.19 0.00 -0.03 0.00 0.00 54.58 54.46 1jbc n ASN 69 Cb 0.41 -2.54 -0.11 0.00 -0.61 0.00 0.00 39.78 36.93 1jbc n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jbc s ALA 70 N -1.38 1.74 0.80 5.41 0.00 -0.90 -5.14 121.76 122.29 1jbc s ALA 70 Ca 0.00 -1.43 -0.10 0.00 0.00 0.00 0.00 51.96 50.42 1jbc s ALA 70 Cb 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.09 1jbc s ALA 70 CO 0.00 0.12 1.10 -0.51 0.00 0.00 0.00 175.76 176.47 1jbc s ASP 71 N -2.72 4.21 0.52 0.00 1.01 -1.26 -4.51 116.67 113.92 1jbc s ASP 71 Ca 0.14 1.86 -0.02 0.00 0.71 0.00 0.00 52.55 55.24 1jbc s ASP 71 Cb -0.04 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1jbc s ASP 71 CO 0.05 -2.23 0.78 -0.44 0.21 0.00 0.00 175.17 173.53 1jbc s SER 72 N -3.29 5.60 0.05 0.27 0.01 -1.26 -4.49 113.70 110.58 1jbc s SER 72 Ca 0.62 0.37 0.07 0.00 1.31 0.00 0.00 55.95 58.32 1jbc s SER 72 Cb -0.18 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1jbc s SER 72 CO 0.56 -0.94 -0.20 0.00 0.41 0.00 0.00 173.24 173.07 1jbc s ALA 73 N -2.76 1.70 0.02 1.44 0.00 -0.14 -4.98 121.76 117.04 1jbc s ALA 73 Ca 0.52 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1jbc s ALA 73 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1jbc s ALA 73 CO 0.40 0.38 -0.00 -0.08 0.00 0.00 0.00 175.76 176.46 1jbc s THR 74 N -0.82 0.11 -0.01 0.00 -1.32 -1.26 -0.95 115.64 111.38 1jbc s THR 74 Ca 0.07 -0.90 -0.05 0.00 -1.21 0.00 0.00 61.69 59.61 1jbc s THR 74 Cb -0.09 -0.32 -0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1jbc s THR 74 CO 0.02 -0.49 0.09 0.54 -2.21 0.00 0.00 174.62 172.57 1jbc s VAL 75 N -1.51 0.07 0.01 5.08 0.11 -0.59 -4.69 120.40 118.88 1jbc s VAL 75 Ca -0.15 -0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 58.33 1jbc s VAL 75 Cb -0.09 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1jbc s VAL 75 CO -0.01 -0.30 0.04 -0.44 -3.33 0.00 0.00 175.10 171.06 1jbc s SER 76 N -0.99 0.14 -0.10 3.54 0.01 -1.26 -0.83 113.70 114.21 1jbc s SER 76 Ca -0.11 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.75 1jbc s SER 76 Cb -0.06 0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.35 1jbc s SER 76 CO 0.01 -0.30 0.24 -0.47 0.41 0.00 0.00 173.24 173.12 1jbc s TYR 77 N -1.31 -0.31 -0.33 2.43 5.04 -0.16 -4.91 117.35 117.80 1jbc s TYR 77 Ca -0.14 0.75 -0.29 0.00 -2.44 0.00 0.00 57.07 54.95 1jbc s TYR 77 Cb -0.08 0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.29 1jbc s TYR 77 CO 0.00 -0.22 1.13 -0.51 -1.34 0.00 0.00 175.55 174.61 1jbc s ASP 78 N 1.12 6.85 -0.23 4.32 1.01 -1.26 -1.23 116.67 127.25 1jbc s ASP 78 Ca -0.08 1.03 -0.13 0.00 0.71 0.00 0.00 52.55 54.07 1jbc s ASP 78 Cb -0.09 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.36 1jbc s ASP 78 CO -0.07 -0.96 0.57 0.54 0.21 0.00 0.00 175.17 175.46 1jbc s VAL 79 N 3.87 -0.01 -0.66 -1.27 0.11 -0.21 -4.98 120.40 117.25 1jbc s VAL 79 Ca 0.48 0.04 -0.23 0.00 -2.93 0.00 0.00 61.98 59.33 1jbc s VAL 79 Cb -0.13 -0.83 0.06 0.00 -1.53 0.00 0.00 36.38 33.96 1jbc s VAL 79 CO 0.19 0.02 1.02 -0.62 -3.33 0.00 0.00 175.10 172.37 1jbc s ASP 80 N 1.51 6.18 0.59 3.54 -1.08 -1.26 -4.04 116.67 122.12 1jbc s ASP 80 Ca -0.10 -0.84 0.39 0.00 -0.52 0.00 0.00 52.55 51.48 1jbc s ASP 80 Cb -0.06 -2.44 1.96 0.00 -1.46 0.00 0.00 42.92 40.91 1jbc s ASP 80 CO -0.17 -1.49 2.17 -0.07 0.52 0.00 0.00 175.17 176.13 1jbc h LEU 81 N 11.60 0.00 -0.94 -1.34 3.38 -1.96 -0.71 115.31 125.34 1jbc h LEU 81 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jbc h LEU 81 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jbc h LEU 81 CO 1.19 0.00 0.00 0.44 0.09 0.00 0.00 178.44 180.16 1jbc h ASP 82 N 0.00 0.00 0.19 -0.43 3.32 -1.91 0.15 116.42 117.74 1jbc h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jbc h ASP 82 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1jbc h ASP 82 CO 0.00 0.00 -0.39 0.59 -1.72 0.00 0.00 179.24 177.72 1jbc n ASN 83 N -2.50 1.22 -0.06 6.45 3.02 -0.28 -4.54 115.26 118.58 1jbc n ASN 83 Ca 0.02 -0.99 -0.12 0.00 -0.03 0.00 0.00 54.58 53.46 1jbc n ASN 83 Cb 0.25 0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1jbc n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jbc n VAL 84 N -0.64 0.63 -4.01 2.41 0.31 -0.55 -5.06 118.33 111.42 1jbc n VAL 84 Ca 0.10 -0.16 -0.25 0.00 -0.01 0.00 0.00 64.34 64.02 1jbc n VAL 84 Cb 0.38 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 1jbc n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jbc s LEU 85 N -6.60 4.12 1.07 7.52 1.43 0.43 -4.97 118.68 121.68 1jbc s LEU 85 Ca -0.16 0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1jbc s LEU 85 Cb 0.06 -2.70 0.23 0.00 0.03 0.00 0.00 46.19 43.81 1jbc s LEU 85 CO 0.20 0.03 1.07 -2.16 0.23 0.00 0.00 176.35 175.73 1jbc s PRO 86 N -3.34 -0.13 0.27 1.29 0.04 -1.26 -4.67 135.00 127.20 1jbc s PRO 86 Ca 0.33 0.54 -0.03 0.00 0.04 0.00 0.00 61.00 61.89 1jbc s PRO 86 Cb -0.10 -1.67 0.37 0.00 0.04 0.00 0.00 34.50 33.14 1jbc s PRO 86 CO 0.27 -3.12 1.86 1.49 0.04 0.00 0.00 177.00 177.54 1jbc h GLU 87 N -2.17 0.97 -5.87 4.56 4.81 -1.94 -3.41 114.58 111.53 1jbc h GLU 87 Ca -0.57 -0.15 -0.68 0.00 -0.13 0.00 0.00 59.36 57.83 1jbc h GLU 87 Cb 1.34 -0.17 -0.25 0.00 0.63 0.00 0.00 28.75 30.30 1jbc h GLU 87 CO 0.55 0.78 -0.77 -1.58 -0.73 0.00 0.00 179.01 177.26 1jbc s TRP 88 N -5.47 2.75 0.26 0.92 0.52 -1.26 -1.32 118.94 115.34 1jbc s TRP 88 Ca -0.11 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.65 1jbc s TRP 88 Cb 0.16 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 1jbc s TRP 88 CO 0.81 0.01 0.13 0.14 0.02 0.00 0.00 176.95 178.05 1jbc s VAL 89 N -0.25 0.34 0.20 4.03 -7.23 -0.40 -4.38 120.40 112.71 1jbc s VAL 89 Ca 0.01 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.27 1jbc s VAL 89 Cb -0.13 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1jbc s VAL 89 CO 0.03 0.00 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.62 1jbc s ARG 90 N -4.00 2.15 0.09 4.82 0.52 -0.31 -0.31 118.95 121.91 1jbc s ARG 90 Ca 0.38 -1.29 0.09 0.00 -0.52 0.00 0.00 55.73 54.39 1jbc s ARG 90 Cb 0.07 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1jbc s ARG 90 CO 0.14 0.42 -0.21 0.14 0.02 0.00 0.00 175.30 175.81 1jbc s VAL 91 N -1.86 2.58 0.37 3.52 -7.23 -1.26 -1.26 120.40 115.26 1jbc s VAL 91 Ca 0.27 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 1jbc s VAL 91 Cb -0.08 -2.12 0.05 0.00 0.56 0.00 0.00 36.38 34.78 1jbc s VAL 91 CO 0.17 0.20 0.75 -0.83 -0.31 0.00 0.00 175.10 175.08 1jbc s GLY 92 N -1.80 0.44 -0.02 2.32 0.00 -0.06 -1.39 107.32 106.81 1jbc s GLY 92 Ca 0.15 -0.79 0.07 0.00 0.00 0.00 0.00 44.72 44.16 1jbc s GLY 92 CO 0.07 -0.36 -0.23 1.08 0.00 0.00 0.00 173.10 173.65 1jbc s LEU 93 N -3.07 2.05 0.08 0.66 1.43 -0.27 -0.88 118.68 118.68 1jbc s LEU 93 Ca 0.17 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1jbc s LEU 93 Cb -0.05 -1.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1jbc s LEU 93 CO 0.12 0.28 -0.10 -0.55 0.23 0.00 0.00 176.35 176.34 1jbc s SER 94 N -0.57 1.29 0.23 2.29 0.15 0.00 -0.80 113.70 116.29 1jbc s SER 94 Ca 0.09 -0.74 -0.21 0.00 0.70 0.00 0.00 55.95 55.80 1jbc s SER 94 Cb -0.09 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1jbc s SER 94 CO -0.01 -0.24 0.64 0.00 1.20 0.00 0.00 173.24 174.83 1jbc s ALA 95 N -2.12 -1.22 0.15 5.45 0.00 -0.58 -0.27 121.76 123.17 1jbc s ALA 95 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 1jbc s ALA 95 Cb -0.05 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1jbc s ALA 95 CO -0.00 -0.92 0.36 -1.54 0.00 0.00 0.00 175.76 173.66 1jbc s SER 96 N -2.87 -0.10 0.22 0.00 1.04 -1.10 -2.16 113.70 108.74 1jbc s SER 96 Ca 0.09 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1jbc s SER 96 Cb -0.04 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 1jbc s SER 96 CO -0.00 -0.90 0.05 0.42 0.98 0.00 0.00 173.24 173.80 1jbc s THR 97 N -3.88 0.64 0.00 2.02 -4.23 0.01 -1.28 115.64 108.92 1jbc s THR 97 Ca 0.09 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1jbc s THR 97 Cb 0.02 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1jbc s THR 97 CO -0.06 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1jbc n GLY 98 N -0.37 4.15 0.12 3.99 0.00 -1.26 -0.86 105.19 110.96 1jbc n GLY 98 Ca -0.03 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.41 1jbc n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jbc h LEU 99 N 0.00 0.17-10.24 0.99 3.38 -1.98 0.13 115.31 107.76 1jbc h LEU 99 Ca 0.00 -0.14 -0.48 0.00 0.09 0.00 0.00 57.88 57.35 1jbc h LEU 99 Cb 0.00 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jbc h LEU 99 CO 0.00 0.93 -0.09 -0.31 0.09 0.00 0.00 178.44 179.06 1jbc s TYR 100 N -3.23 3.52 0.16 1.13 1.51 -1.26 -4.90 117.35 114.27 1jbc s TYR 100 Ca -0.02 0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 56.43 1jbc s TYR 100 Cb 0.11 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1jbc s TYR 100 CO 0.81 -0.00 0.42 -1.59 -1.11 0.00 0.00 175.55 174.08 1jbc s LYS 101 N -4.36 1.22 0.01 -0.62 -2.85 -1.23 -4.47 119.74 107.44 1jbc s LYS 101 Ca 0.43 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.97 54.22 1jbc s LYS 101 Cb -0.10 0.46 0.10 0.00 -2.06 0.00 0.00 37.83 36.23 1jbc s LYS 101 CO 0.38 -0.49 0.87 -1.83 0.10 0.00 0.00 175.35 174.38 1jbc s GLU 102 N -3.88 0.87 0.46 1.78 -1.05 -1.02 -3.14 118.70 112.73 1jbc s GLU 102 Ca 0.09 -0.33 -0.21 0.00 -0.15 0.00 0.00 54.97 54.37 1jbc s GLU 102 Cb 0.01 0.40 -0.08 0.00 -0.44 0.00 0.00 34.13 34.01 1jbc s GLU 102 CO -0.05 -0.38 1.05 0.95 0.95 0.00 0.00 175.26 177.78 1jbc s THR 103 N -3.18 3.70 -0.53 1.83 -4.23 0.37 -4.72 115.64 108.88 1jbc s THR 103 Ca 0.05 1.14 0.07 0.00 -1.18 0.00 0.00 61.69 61.77 1jbc s THR 103 Cb -0.01 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.57 1jbc s THR 103 CO -0.09 -0.15 0.64 0.59 -0.54 0.00 0.00 174.62 175.07 1jbc n ASN 104 N -0.69 2.15 -4.70 3.99 3.02 -1.26 -3.70 115.26 114.07 1jbc n ASN 104 Ca 0.08 -3.10 -0.37 0.00 -0.03 0.00 0.00 54.58 51.15 1jbc n ASN 104 Cb 0.51 -0.66 -0.07 0.00 -0.61 0.00 0.00 39.78 38.96 1jbc n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jbc s THR 105 N -1.88 5.24 -0.23 3.41 2.01 -0.96 -1.84 115.64 121.39 1jbc s THR 105 Ca 0.38 0.68 -0.08 0.00 0.31 0.00 0.00 61.69 62.98 1jbc s THR 105 Cb 0.15 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1jbc s THR 105 CO -0.06 0.32 0.09 -0.63 -0.69 0.00 0.00 174.62 173.65 1jbc s ILE 106 N 0.85 4.64 -0.11 1.82 -1.09 0.44 -0.33 121.20 127.43 1jbc s ILE 106 Ca 0.19 -0.07 0.20 0.00 -2.23 0.00 0.00 60.65 58.74 1jbc s ILE 106 Cb -0.14 -3.15 -0.26 0.00 -1.58 0.00 0.00 42.46 37.33 1jbc s ILE 106 CO 0.07 0.37 0.45 0.18 -1.23 0.00 0.00 174.94 174.78 1jbc n LEU 107 N 4.45 0.17 -3.48 2.97 4.77 0.17 -1.66 117.00 124.39 1jbc n LEU 107 Ca -0.16 0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.74 1jbc n LEU 107 Cb 0.52 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.71 1jbc n LEU 107 CO 0.33 0.14 0.42 -0.94 -1.33 0.00 0.00 177.39 176.01 1jbc s SER 108 N -5.01 -0.61 -0.19 -1.43 1.04 -1.21 -4.29 113.70 102.00 1jbc s SER 108 Ca -0.07 0.40 -0.09 0.00 0.48 0.00 0.00 55.95 56.66 1jbc s SER 108 Cb 0.11 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.87 1jbc s SER 108 CO 0.87 -0.76 0.45 0.86 0.98 0.00 0.00 173.24 175.63 1jbc s TRP 109 N -2.31 -0.74 0.13 5.02 -0.00 -0.32 -1.68 118.94 119.04 1jbc s TRP 109 Ca -0.06 1.49 0.06 0.00 -0.00 0.00 0.00 56.10 57.59 1jbc s TRP 109 Cb -0.00 0.33 -0.04 0.00 -0.00 0.00 0.00 33.47 33.76 1jbc s TRP 109 CO -0.00 -0.42 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.84 1jbc s SER 110 N 1.93 2.09 -0.17 5.86 1.04 0.07 -0.46 113.70 124.07 1jbc s SER 110 Ca -0.07 -0.85 -0.16 0.00 0.48 0.00 0.00 55.95 55.36 1jbc s SER 110 Cb -0.10 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 65.99 1jbc s SER 110 CO -0.14 -0.15 0.46 0.12 0.98 0.00 0.00 173.24 174.52 1jbc s PHE 111 N -2.28 -0.51 -0.03 5.02 5.36 -0.49 -1.35 117.98 123.71 1jbc s PHE 111 Ca 0.11 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 57.32 1jbc s PHE 111 Cb -0.04 0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.83 1jbc s PHE 111 CO 0.03 -0.24 -0.03 0.99 -1.46 0.00 0.00 175.22 174.51 1jbc s THR 112 N 0.24 0.36 0.01 0.12 2.01 -0.25 -1.28 115.64 116.85 1jbc s THR 112 Ca -0.00 -0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.02 1jbc s THR 112 Cb -0.03 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 1jbc s THR 112 CO 0.01 0.17 -0.23 -0.55 -0.69 0.00 0.00 174.62 173.33 1jbc s SER 113 N 0.73 2.69 0.00 3.53 0.15 0.17 -0.93 113.70 120.05 1jbc s SER 113 Ca -0.08 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.11 1jbc s SER 113 Cb -0.12 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1jbc s SER 113 CO -0.01 0.25 -0.03 -0.54 1.20 0.00 0.00 173.24 174.11 1jbc s LYS 114 N -0.79 0.26 -0.15 5.44 1.02 -0.07 -1.32 119.74 124.12 1jbc s LYS 114 Ca 0.09 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1jbc s LYS 114 Cb -0.09 -0.21 0.03 0.00 -0.52 0.00 0.00 37.83 37.04 1jbc s LYS 114 CO 0.00 0.06 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.87 1jbc s LEU 115 N -0.24 1.66 -0.27 3.17 1.43 -0.04 -1.22 118.68 123.17 1jbc s LEU 115 Ca -0.01 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1jbc s LEU 115 Cb -0.02 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 45.11 1jbc s LEU 115 CO -0.00 -0.11 0.07 -0.54 0.23 0.00 0.00 176.35 176.00 1jbc s LYS 116 N 1.54 3.42 0.76 1.70 1.02 -0.05 -1.21 119.74 126.93 1jbc s LYS 116 Ca 0.03 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 1jbc s LYS 116 Cb -0.14 -3.33 0.14 0.00 -0.52 0.00 0.00 37.83 33.98 1jbc s LYS 116 CO -0.09 -0.29 1.04 -1.54 -0.92 0.00 0.00 175.35 173.54 1jbc s SER 117 N 1.57 4.16 0.00 2.83 1.04 0.11 -0.14 113.70 123.27 1jbc s SER 117 Ca 0.05 -0.35 0.28 0.00 0.48 0.00 0.00 55.95 56.41 1jbc s SER 117 Cb -0.16 0.04 1.03 0.00 0.10 0.00 0.00 66.02 67.03 1jbc s SER 117 CO 0.03 -2.00 1.73 -0.46 0.98 0.00 0.00 173.24 173.52 1jbc n ASN 118 N -2.95 1.31 -4.75 7.02 6.94 -1.18 -4.66 115.26 116.99 1jbc n ASN 118 Ca 0.16 -1.33 -0.35 0.00 -0.02 0.00 0.00 54.58 53.04 1jbc n ASN 118 Cb 0.61 0.03 0.05 0.00 -2.36 0.00 0.00 39.78 38.10 1jbc n ASN 118 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1jbc s SER 119 N -2.12 4.92 0.09 0.53 1.04 -1.26 -4.93 113.70 111.97 1jbc s SER 119 Ca 0.35 2.32 -0.08 0.00 0.48 0.00 0.00 55.95 59.02 1jbc s SER 119 Cb 0.21 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.82 1jbc s SER 119 CO 0.38 -1.77 0.64 0.35 0.98 0.00 0.00 173.24 173.82 1jbc n THR 120 N -2.00 -0.23 -3.50 2.02 -2.24 -1.26 -3.21 114.28 103.86 1jbc n THR 120 Ca 0.13 0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 62.46 1jbc n THR 120 Cb 0.50 -1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 67.41 1jbc n THR 120 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jbc s HIS 121 N -5.36 3.69 -0.20 4.78 3.76 -1.26 -4.93 115.29 115.76 1jbc s HIS 121 Ca -0.06 -2.44 0.21 0.00 -0.15 0.00 0.00 55.06 52.63 1jbc s HIS 121 Cb 0.08 -3.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.20 1jbc s HIS 121 CO 0.29 -0.90 0.99 1.05 -0.85 0.00 0.00 174.74 175.31 1jbc h GLU 122 N 7.20 0.00 -5.84 1.40 9.09 -1.84 -3.47 114.58 121.12 1jbc h GLU 122 Ca 0.08 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.82 1jbc h GLU 122 Cb 0.97 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 27.96 1jbc h GLU 122 CO 0.77 0.09 -0.55 0.99 0.05 0.00 0.00 179.01 180.36 1jbc s THR 123 N -3.22 4.90 -0.02 -1.06 2.01 -1.26 -0.71 115.64 116.28 1jbc s THR 123 Ca -0.01 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1jbc s THR 123 Cb 0.09 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1jbc s THR 123 CO 0.79 0.57 -0.11 0.20 -0.69 0.00 0.00 174.62 175.38 1jbc s ASN 124 N -1.10 1.35 0.02 3.53 0.01 -0.35 -5.01 114.94 113.38 1jbc s ASN 124 Ca 0.16 -0.21 -0.16 0.00 -0.71 0.00 0.00 52.86 51.94 1jbc s ASN 124 Cb -0.12 -0.22 0.03 0.00 0.41 0.00 0.00 41.25 41.35 1jbc s ASN 124 CO 0.05 0.12 0.36 0.00 -1.51 0.00 0.00 177.10 176.12 1jbc s ALA 125 N -0.12 -0.87 -0.04 0.60 0.00 -1.26 -0.86 121.76 119.20 1jbc s ALA 125 Ca 0.02 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.28 1jbc s ALA 125 Cb -0.06 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1jbc s ALA 125 CO -0.00 -0.37 -0.10 -1.17 0.00 0.00 0.00 175.76 174.12 1jbc s LEU 126 N -1.74 1.70 -0.00 0.00 2.96 -0.43 -5.00 118.68 116.16 1jbc s LEU 126 Ca -0.08 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1jbc s LEU 126 Cb -0.02 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.99 1jbc s LEU 126 CO 0.00 0.05 -0.03 -2.28 -1.32 0.00 0.00 176.35 172.78 1jbc s HIS 127 N 0.41 0.26 0.07 5.38 5.65 -1.26 -0.66 115.29 125.14 1jbc s HIS 127 Ca -0.08 -0.06 0.02 0.00 0.25 0.00 0.00 55.06 55.19 1jbc s HIS 127 Cb -0.12 -0.16 -0.03 0.00 -1.18 0.00 0.00 32.58 31.08 1jbc s HIS 127 CO 0.02 -0.01 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.44 1jbc s PHE 128 N -0.10 0.72 -0.10 3.88 -0.12 -0.40 -5.01 117.98 116.85 1jbc s PHE 128 Ca 0.01 -0.73 -0.05 0.00 -0.05 0.00 0.00 56.93 56.11 1jbc s PHE 128 Cb -0.01 -0.43 0.05 0.00 -0.63 0.00 0.00 43.02 41.99 1jbc s PHE 128 CO -0.00 -0.15 0.23 1.41 -0.05 0.00 0.00 175.22 176.66 1jbc s MET 129 N -2.75 0.16 -0.18 1.99 1.75 -1.26 -1.39 119.30 117.61 1jbc s MET 129 Ca 0.00 0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 54.99 1jbc s MET 129 Cb -0.02 -0.13 -0.00 0.00 2.84 0.00 0.00 34.83 37.52 1jbc s MET 129 CO -0.03 -0.20 -0.10 -0.06 -0.65 0.00 0.00 175.02 173.97 1jbc s PHE 130 N 1.60 2.87 -0.82 4.11 0.40 0.40 -4.95 117.98 121.59 1jbc s PHE 130 Ca -0.06 -0.99 0.08 0.00 -0.60 0.00 0.00 56.93 55.36 1jbc s PHE 130 Cb -0.11 -1.98 0.14 0.00 0.51 0.00 0.00 43.02 41.58 1jbc s PHE 130 CO -0.08 -0.49 0.97 0.09 0.70 0.00 0.00 175.22 176.41 1jbc n ASN 131 N 4.35 2.17 -3.54 1.36 3.02 -1.26 -1.18 115.26 120.18 1jbc n ASN 131 Ca -0.19 -1.67 -0.10 0.00 -0.03 0.00 0.00 54.58 52.59 1jbc n ASN 131 Cb 0.51 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1jbc n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jbc s GLN 132 N -0.83 1.31 -0.02 3.52 -2.07 -1.26 -4.80 119.66 115.50 1jbc s GLN 132 Ca 0.13 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 1jbc s GLN 132 Cb 0.08 0.55 0.03 0.00 -1.09 0.00 0.00 33.01 32.57 1jbc s GLN 132 CO 0.11 -0.58 0.01 -0.06 -1.32 0.00 0.00 175.29 173.44 1jbc s PHE 133 N -3.67 0.20 0.46 9.60 0.40 0.37 -4.99 117.98 120.35 1jbc s PHE 133 Ca 0.04 0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.40 1jbc s PHE 133 Cb -0.02 -0.32 -0.01 0.00 0.51 0.00 0.00 43.02 43.17 1jbc s PHE 133 CO -0.07 -0.10 0.71 -1.12 0.70 0.00 0.00 175.22 175.33 1jbc s SER 134 N 0.95 5.97 0.39 1.36 0.01 -1.26 -3.43 113.70 117.68 1jbc s SER 134 Ca -0.09 0.52 0.10 0.00 1.31 0.00 0.00 55.95 57.78 1jbc s SER 134 Cb -0.12 -1.80 0.87 0.00 0.21 0.00 0.00 66.02 65.18 1jbc s SER 134 CO -0.02 -0.66 1.95 0.50 0.41 0.00 0.00 173.24 175.42 1jbc h LYS 135 N 0.34 0.59 -3.25 12.44 3.11 -1.85 -3.26 116.57 124.69 1jbc h LYS 135 Ca -0.47 -0.04 -0.63 0.00 -2.81 0.00 0.00 60.65 56.70 1jbc h LYS 135 Cb 1.24 -0.13 -0.41 0.00 -1.00 0.00 0.00 32.23 31.92 1jbc h LYS 135 CO 0.59 0.39 -0.61 0.34 -2.81 0.00 0.00 179.45 177.36 1jbc s ASP 136 N -6.12 4.53 -0.90 4.20 2.15 -1.26 -4.68 116.67 114.59 1jbc s ASP 136 Ca -0.09 -3.38 -0.14 0.00 0.43 0.00 0.00 52.55 49.37 1jbc s ASP 136 Cb 0.20 -1.64 0.21 0.00 -0.30 0.00 0.00 42.92 41.40 1jbc s ASP 136 CO 0.77 -0.17 0.90 -1.58 -0.17 0.00 0.00 175.17 174.92 1jbc s GLN 137 N -0.80 3.72 0.53 4.34 2.00 -1.23 -4.88 119.66 123.34 1jbc s GLN 137 Ca 0.20 -2.49 0.31 0.00 -2.00 0.00 0.00 55.36 51.39 1jbc s GLN 137 Cb -0.17 -4.54 1.34 0.00 0.80 0.00 0.00 33.01 30.44 1jbc s GLN 137 CO -0.07 -1.37 1.98 0.87 -0.50 0.00 0.00 175.29 176.20 1jbc h LYS 138 N 7.73 0.00 -0.54 1.67 1.57 -1.95 -1.51 116.57 123.54 1jbc h LYS 138 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1jbc h LYS 138 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1jbc h LYS 138 CO 0.86 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 179.42 1jbc n ASP 139 N -3.24 2.52 -4.33 0.86 5.75 -1.26 -4.78 116.55 112.08 1jbc n ASP 139 Ca -0.00 -2.18 -0.31 0.00 -0.01 0.00 0.00 54.79 52.28 1jbc n ASP 139 Cb 0.31 -0.38 -0.16 0.00 -1.03 0.00 0.00 41.12 39.86 1jbc n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jbc s LEU 140 N -1.15 2.11 -0.40 -2.12 1.43 -0.57 -1.32 118.68 116.67 1jbc s LEU 140 Ca 0.26 -0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 1jbc s LEU 140 Cb 0.16 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 45.04 1jbc s LEU 140 CO 0.13 0.32 0.45 -0.63 0.23 0.00 0.00 176.35 176.84 1jbc s ILE 141 N -0.64 5.08 -0.11 -0.59 1.01 0.24 -4.90 121.20 121.29 1jbc s ILE 141 Ca 0.10 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1jbc s ILE 141 Cb -0.10 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1jbc s ILE 141 CO -0.01 -0.34 0.27 -0.76 0.00 0.00 0.00 174.94 174.11 1jbc s LEU 142 N 2.20 4.34 0.08 2.97 1.43 -1.26 -1.02 118.68 127.41 1jbc s LEU 142 Ca 0.14 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 1jbc s LEU 142 Cb -0.16 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1jbc s LEU 142 CO 0.14 0.24 -0.21 -1.10 0.23 0.00 0.00 176.35 175.65 1jbc s GLN 143 N -0.32 1.23 7.02 1.70 -0.21 -0.02 -4.99 119.66 124.07 1jbc s GLN 143 Ca 0.17 -1.09 0.00 0.00 0.02 0.00 0.00 55.36 54.46 1jbc s GLN 143 Cb -0.13 -1.46 0.00 0.00 1.00 0.00 0.00 33.01 32.42 1jbc s GLN 143 CO 0.06 0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.99 1jbc n GLY 144 N 1.35 2.82 0.65 3.09 0.00 -1.26 -1.50 105.19 110.34 1jbc n GLY 144 Ca -0.19 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1jbc n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jbc n ASP 145 N 4.28 1.89 -4.77 1.61 8.00 0.70 -4.94 116.55 123.32 1jbc n ASP 145 Ca 0.00 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.14 1jbc n ASP 145 Cb 0.00 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 1jbc n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jbc s ALA 146 N -1.56 3.47 0.05 2.24 0.00 -1.11 -4.42 121.76 120.42 1jbc s ALA 146 Ca 0.25 1.21 -0.00 0.00 0.00 0.00 0.00 51.96 53.42 1jbc s ALA 146 Cb 0.13 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1jbc s ALA 146 CO 0.18 -0.58 -0.04 0.95 0.00 0.00 0.00 175.76 176.26 1jbc s THR 147 N -1.16 0.28 0.14 0.00 -4.23 -0.45 -4.74 115.64 105.49 1jbc s THR 147 Ca 0.49 -1.48 0.10 0.00 -1.18 0.00 0.00 61.69 59.62 1jbc s THR 147 Cb -0.38 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 1jbc s THR 147 CO 0.51 -0.77 -0.23 0.42 -0.54 0.00 0.00 174.62 174.01 1jbc s THR 148 N -2.87 2.07 0.00 3.99 -4.23 -1.26 -0.59 115.64 112.74 1jbc s THR 148 Ca -0.01 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1jbc s THR 148 Cb 0.00 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1jbc s THR 148 CO -0.05 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1jbc n GLY 149 N 0.74 2.14 3.65 3.99 0.00 -0.66 -3.90 105.19 111.15 1jbc n GLY 149 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1jbc n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jbc s THR 150 N -2.41 3.91 -1.20 2.61 2.01 -1.25 -2.32 115.64 116.98 1jbc s THR 150 Ca 0.00 1.07 -0.01 0.00 0.31 0.00 0.00 61.69 63.05 1jbc s THR 150 Cb 0.00 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1jbc s THR 150 CO 0.00 -0.21 0.10 -0.67 -0.69 0.00 0.00 174.62 173.14 1jbc n ASP 151 N 7.44 -4.28 -1.35 3.53 2.03 -1.26 -1.88 116.55 120.79 1jbc n ASP 151 Ca 0.16 0.07 -0.17 0.00 0.52 0.00 0.00 54.79 55.37 1jbc n ASP 151 Cb 0.45 -3.60 -0.07 0.00 -0.72 0.00 0.00 41.12 37.18 1jbc n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jbc n GLY 152 N -0.92 1.67 3.75 0.27 0.00 -0.98 -4.99 105.19 103.99 1jbc n GLY 152 Ca -0.14 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1jbc n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jbc s ASN 153 N -2.80 4.66 -0.37 1.61 0.01 -0.79 -0.48 114.94 116.78 1jbc s ASN 153 Ca 0.00 -0.84 -0.15 0.00 -0.71 0.00 0.00 52.86 51.16 1jbc s ASN 153 Cb 0.00 -0.66 0.00 0.00 0.41 0.00 0.00 41.25 41.00 1jbc s ASN 153 CO 0.00 -0.38 0.34 -0.22 -1.51 0.00 0.00 177.10 175.33 1jbc s LEU 154 N -3.88 4.68 -0.45 0.60 2.96 -0.67 -1.65 118.68 120.27 1jbc s LEU 154 Ca 0.39 -0.50 -0.16 0.00 -0.22 0.00 0.00 54.13 53.65 1jbc s LEU 154 Cb -0.01 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.46 1jbc s LEU 154 CO 0.23 -0.39 0.38 -1.61 -1.32 0.00 0.00 176.35 173.64 1jbc s GLU 155 N 1.91 2.99 0.24 1.98 0.41 0.25 -0.42 118.70 126.05 1jbc s GLU 155 Ca 0.09 -1.21 0.04 0.00 -0.41 0.00 0.00 54.97 53.49 1jbc s GLU 155 Cb -0.17 -4.08 0.28 0.00 -1.78 0.00 0.00 34.13 28.37 1jbc s GLU 155 CO 0.11 -0.94 1.58 -0.07 -0.49 0.00 0.00 175.26 175.45 1jbc h LEU 156 N 8.76 0.28 -9.33 1.80 3.38 -1.63 -1.19 115.31 117.39 1jbc h LEU 156 Ca -0.28 -0.15 -0.61 0.00 0.09 0.00 0.00 57.88 56.93 1jbc h LEU 156 Cb 1.11 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 1jbc h LEU 156 CO 0.83 0.79 -0.71 0.42 0.09 0.00 0.00 178.44 179.86 1jbc s THR 157 N -3.83 2.29 0.23 0.22 -4.23 -1.26 -2.94 115.64 106.11 1jbc s THR 157 Ca -0.04 -2.28 -0.30 0.00 -1.18 0.00 0.00 61.69 57.89 1jbc s THR 157 Cb 0.12 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 1jbc s THR 157 CO 0.80 -0.29 1.32 -0.60 -0.54 0.00 0.00 174.62 175.31 1jbc s ARG 158 N -3.58 4.38 -0.02 3.99 6.06 -1.26 -4.77 118.95 123.75 1jbc s ARG 158 Ca 0.31 2.10 0.05 0.00 -2.50 0.00 0.00 55.73 55.69 1jbc s ARG 158 Cb -0.00 -3.17 -0.01 0.00 0.06 0.00 0.00 34.95 31.83 1jbc s ARG 158 CO 0.16 -0.25 -0.17 0.14 -2.50 0.00 0.00 175.30 172.68 1jbc s VAL 159 N -0.12 1.32 0.87 7.11 -7.23 -1.26 -1.45 120.40 119.64 1jbc s VAL 159 Ca 0.56 -0.71 -0.13 0.00 -1.81 0.00 0.00 61.98 59.89 1jbc s VAL 159 Cb -0.37 -1.11 0.14 0.00 0.56 0.00 0.00 36.38 35.60 1jbc s VAL 159 CO 0.41 0.38 1.22 -0.94 -0.31 0.00 0.00 175.10 175.86 1jbc s SER 160 N -0.34 3.84 0.30 4.85 1.04 0.15 -4.85 113.70 118.70 1jbc s SER 160 Ca 0.05 0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1jbc s SER 160 Cb -0.07 -0.69 0.61 0.00 0.10 0.00 0.00 66.02 65.97 1jbc s SER 160 CO -0.00 -2.28 1.85 0.28 0.98 0.00 0.00 173.24 174.07 1jbc h SER 161 N -1.26 0.87 0.00 7.02 0.02 -2.01 0.55 113.55 118.74 1jbc h SER 161 Ca -0.44 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1jbc h SER 161 Cb 1.28 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1jbc h SER 161 CO 0.50 0.47 0.12 0.78 -1.14 0.00 0.00 176.83 177.55 1jbc h ASN 162 N 0.93 0.00 0.00 3.07 4.21 -2.05 -3.44 115.58 118.30 1jbc h ASN 162 Ca 0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.99 1jbc h ASN 162 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1jbc h ASN 162 CO -0.24 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.51 1jbc n GLY 163 N -1.28 0.86 3.72 2.83 0.00 0.19 -5.05 105.19 106.46 1jbc n GLY 163 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1jbc n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbc s SER 164 N -2.87 7.33 0.45 1.61 0.01 -1.25 -4.69 113.70 114.29 1jbc s SER 164 Ca 0.00 1.60 -0.23 0.00 1.31 0.00 0.00 55.95 58.63 1jbc s SER 164 Cb 0.00 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 1jbc s SER 164 CO 0.00 -0.15 1.19 -2.16 0.41 0.00 0.00 173.24 172.53 1jbc s PRO 165 N 0.57 3.79 0.09 12.44 0.04 -1.26 0.34 135.00 151.01 1jbc s PRO 165 Ca 0.47 1.85 0.02 0.00 0.04 0.00 0.00 61.00 63.37 1jbc s PRO 165 Cb -0.21 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1jbc s PRO 165 CO 0.26 -0.55 0.19 -0.65 0.04 0.00 0.00 177.00 176.30 1jbc s GLN 166 N -2.60 3.28 0.99 4.56 -0.21 -0.53 -4.85 119.66 120.30 1jbc s GLN 166 Ca 0.62 -0.57 -0.16 0.00 0.02 0.00 0.00 55.36 55.28 1jbc s GLN 166 Cb -0.30 -2.92 0.20 0.00 1.00 0.00 0.00 33.01 30.99 1jbc s GLN 166 CO 0.37 0.57 1.26 0.20 -2.12 0.00 0.00 175.29 175.57 1jbc s GLY 167 N -2.70 1.71 -1.43 3.09 0.00 -1.26 -4.47 107.32 102.25 1jbc s GLY 167 Ca 0.33 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 1jbc s GLY 167 CO 0.26 -0.30 0.41 1.44 0.00 0.00 0.00 173.10 174.92 1jbc n SER 168 N -3.93 -0.40 -4.22 1.64 7.64 0.45 -4.85 113.62 109.95 1jbc n SER 168 Ca 0.14 -1.02 -0.22 0.00 1.01 0.00 0.00 58.87 58.78 1jbc n SER 168 Cb 0.60 -2.96 -0.13 0.00 -1.01 0.00 0.00 64.21 60.71 1jbc n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jbc s SER 169 N -4.32 2.11 -0.16 6.43 0.15 -1.17 -4.98 113.70 111.77 1jbc s SER 169 Ca 0.04 -0.61 -0.12 0.00 0.70 0.00 0.00 55.95 55.96 1jbc s SER 169 Cb -0.02 -0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.22 1jbc s SER 169 CO 0.90 0.02 0.41 0.54 1.20 0.00 0.00 173.24 176.31 1jbc s VAL 170 N -1.11 -0.01 -0.03 4.45 0.11 -1.26 -0.81 120.40 121.74 1jbc s VAL 170 Ca 0.03 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.82 1jbc s VAL 170 Cb -0.10 -0.59 0.07 0.00 -1.53 0.00 0.00 36.38 34.24 1jbc s VAL 170 CO 0.03 0.02 0.66 -0.83 -3.33 0.00 0.00 175.10 171.64 1jbc s GLY 171 N 0.72 -0.56 0.05 6.54 0.00 -0.92 -0.21 107.32 112.94 1jbc s GLY 171 Ca -0.04 1.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.88 1jbc s GLY 171 CO -0.05 0.85 -0.03 0.50 0.00 0.00 0.00 173.10 174.37 1jbc s ARG 172 N -1.41 0.59 -0.06 2.90 0.52 -0.56 -1.52 118.95 119.42 1jbc s ARG 172 Ca -0.10 -1.17 -0.00 0.00 -0.52 0.00 0.00 55.73 53.94 1jbc s ARG 172 Cb -0.00 0.17 0.03 0.00 0.52 0.00 0.00 34.95 35.67 1jbc s ARG 172 CO 0.08 -0.10 -0.01 0.00 0.02 0.00 0.00 175.30 175.29 1jbc s ALA 173 N -3.65 0.66 -0.03 2.13 0.00 0.02 -0.84 121.76 120.05 1jbc s ALA 173 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1jbc s ALA 173 Cb 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1jbc s ALA 173 CO -0.09 -0.27 -0.11 -0.51 0.00 0.00 0.00 175.76 174.78 1jbc s LEU 174 N 1.53 2.96 0.37 0.00 1.02 -0.19 -1.11 118.68 123.25 1jbc s LEU 174 Ca -0.02 -0.16 -0.27 0.00 0.02 0.00 0.00 54.13 53.70 1jbc s LEU 174 Cb -0.13 -1.66 -0.09 0.00 0.02 0.00 0.00 46.19 44.33 1jbc s LEU 174 CO -0.03 0.32 1.26 0.12 0.02 0.00 0.00 176.35 178.04 1jbc s PHE 175 N -0.85 3.02 0.16 0.29 5.36 -0.49 -0.59 117.98 124.88 1jbc s PHE 175 Ca 0.14 1.47 -0.12 0.00 -0.96 0.00 0.00 56.93 57.46 1jbc s PHE 175 Cb -0.11 -3.58 0.05 0.00 -0.34 0.00 0.00 43.02 39.05 1jbc s PHE 175 CO 0.03 -1.71 1.67 -0.92 -1.46 0.00 0.00 175.22 172.83 1jbc h TYR 176 N 3.01 0.95 -3.77 10.12 3.20 -1.55 -3.43 116.97 125.50 1jbc h TYR 176 Ca -0.49 -0.12 -0.49 0.00 3.14 0.00 0.00 58.73 60.77 1jbc h TYR 176 Cb 1.23 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1jbc h TYR 176 CO 0.55 0.82 0.39 0.00 -1.64 0.00 0.00 178.16 178.28 1jbc s ALA 177 N -5.29 3.36 0.71 1.82 0.00 -1.26 -5.03 121.76 116.07 1jbc s ALA 177 Ca -0.13 0.70 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 1jbc s ALA 177 Cb 0.12 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1jbc s ALA 177 CO 0.81 0.10 1.14 -1.25 0.00 0.00 0.00 175.76 176.56 1jbc s PRO 178 N -1.26 2.44 -0.06 0.00 0.05 -1.26 -4.81 135.00 130.10 1jbc s PRO 178 Ca 0.42 1.48 0.06 0.00 0.05 0.00 0.00 61.00 63.01 1jbc s PRO 178 Cb -0.28 -1.90 -0.01 0.00 0.05 0.00 0.00 34.50 32.37 1jbc s PRO 178 CO 0.35 -1.55 -0.23 0.08 0.05 0.00 0.00 177.00 175.70 1jbc s VAL 179 N -2.32 1.91 -0.44 -0.36 1.01 0.57 -4.95 120.40 115.83 1jbc s VAL 179 Ca 0.68 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1jbc s VAL 179 Cb -0.23 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1jbc s VAL 179 CO 0.45 0.53 0.37 -2.28 0.00 0.00 0.00 175.10 174.18 1jbc s HIS 180 N -0.10 3.22 -0.71 5.22 2.46 -1.26 -1.27 115.29 122.84 1jbc s HIS 180 Ca -0.04 -0.65 0.17 0.00 0.47 0.00 0.00 55.06 55.01 1jbc s HIS 180 Cb -0.13 -2.88 -0.20 0.00 -0.13 0.00 0.00 32.58 29.24 1jbc s HIS 180 CO 0.04 -0.70 0.69 0.44 -2.47 0.00 0.00 174.74 172.73 1jbc n ILE 181 N 5.25 0.00 -3.99 0.89 -5.35 -0.43 -4.87 119.36 110.85 1jbc n ILE 181 Ca -0.10 -0.13 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 1jbc n ILE 181 Cb 0.46 0.88 -0.13 0.00 -1.74 0.00 0.00 39.64 39.11 1jbc n ILE 181 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1jbc s TRP 182 N -2.72 0.29 -0.06 4.28 -0.00 -1.18 -4.89 118.94 114.67 1jbc s TRP 182 Ca 0.05 -0.29 -0.16 0.00 -0.00 0.00 0.00 56.10 55.71 1jbc s TRP 182 Cb 0.13 -0.19 0.03 0.00 -0.00 0.00 0.00 33.47 33.44 1jbc s TRP 182 CO 0.72 -0.08 0.36 -2.00 -0.00 0.00 0.00 176.95 175.95 1jbc s GLU 183 N -0.80 0.63 0.52 5.86 -6.30 -1.26 -4.85 118.70 112.50 1jbc s GLU 183 Ca -0.07 0.08 0.25 0.00 -2.50 0.00 0.00 54.97 52.73 1jbc s GLU 183 Cb -0.06 0.29 1.46 0.00 0.00 0.00 0.00 34.13 35.82 1jbc s GLU 183 CO -0.00 -0.15 2.10 0.66 0.02 0.00 0.00 175.26 177.89 1jbc h SER 184 N 4.33 0.00 0.06 -1.70 4.64 -2.03 -1.02 113.55 117.83 1jbc h SER 184 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1jbc h SER 184 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1jbc h SER 184 CO 0.35 0.10 -0.13 -1.54 -0.87 0.00 0.00 176.83 174.75 1jbc n SER 185 N -3.83 1.65 -4.74 4.97 3.41 -1.26 -4.95 113.62 108.88 1jbc n SER 185 Ca -0.02 -1.40 -0.41 0.00 -0.26 0.00 0.00 58.87 56.78 1jbc n SER 185 Cb 0.20 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 1jbc n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jbc s ALA 186 N -2.20 3.50 -0.09 7.33 0.00 -0.39 -3.10 121.76 126.80 1jbc s ALA 186 Ca 0.30 1.06 0.21 0.00 0.00 0.00 0.00 51.96 53.53 1jbc s ALA 186 Cb 0.20 -3.46 -0.29 0.00 0.00 0.00 0.00 23.12 19.56 1jbc s ALA 186 CO 0.41 -0.49 0.40 1.33 0.00 0.00 0.00 175.76 177.41 1jbc n VAL 187 N 2.64 0.47 -3.74 0.00 0.24 0.81 -4.92 118.33 113.83 1jbc n VAL 187 Ca 0.06 -0.61 -0.12 0.00 -2.04 0.00 0.00 64.34 61.62 1jbc n VAL 187 Cb 0.43 -0.18 -0.12 0.00 -1.47 0.00 0.00 33.84 32.51 1jbc n VAL 187 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jbc s VAL 188 N -3.19 -0.02 -0.04 3.34 1.01 -1.14 -4.87 120.40 115.49 1jbc s VAL 188 Ca -0.08 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1jbc s VAL 188 Cb 0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1jbc s VAL 188 CO 0.88 0.03 -0.16 0.00 0.00 0.00 0.00 175.10 175.85 1jbc s ALA 189 N 0.81 1.45 0.07 5.51 0.00 -1.26 -0.87 121.76 127.47 1jbc s ALA 189 Ca -0.05 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 1jbc s ALA 189 Cb -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1jbc s ALA 189 CO -0.05 0.27 0.16 -1.54 0.00 0.00 0.00 175.76 174.59 1jbc s SER 190 N 0.00 0.16 0.06 0.00 1.04 -0.36 -0.30 113.70 114.31 1jbc s SER 190 Ca -0.03 -0.66 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 1jbc s SER 190 Cb -0.11 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1jbc s SER 190 CO 0.02 -0.68 0.19 0.72 0.98 0.00 0.00 173.24 174.46 1jbc s PHE 191 N -3.64 0.11 -0.00 5.02 -0.12 -0.36 -0.90 117.98 118.09 1jbc s PHE 191 Ca 0.03 -0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 56.44 1jbc s PHE 191 Cb 0.04 -0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.38 1jbc s PHE 191 CO -0.10 -0.48 0.06 -1.83 -0.05 0.00 0.00 175.22 172.81 1jbc s GLU 192 N -3.23 0.27 0.02 1.99 -1.05 -0.10 -1.84 118.70 114.75 1jbc s GLU 192 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1jbc s GLU 192 Cb 0.02 0.11 -0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1jbc s GLU 192 CO -0.08 -0.05 -0.03 0.00 0.95 0.00 0.00 175.26 176.05 1jbc s ALA 193 N -0.85 0.16 0.01 -0.84 0.00 -0.08 -1.09 121.76 119.08 1jbc s ALA 193 Ca -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.37 1jbc s ALA 193 Cb -0.06 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1jbc s ALA 193 CO 0.00 -0.11 -0.04 0.99 0.00 0.00 0.00 175.76 176.60 1jbc s THR 194 N -1.19 0.29 0.02 0.00 2.01 -0.45 -0.61 115.64 115.71 1jbc s THR 194 Ca -0.12 -0.39 -0.07 0.00 0.31 0.00 0.00 61.69 61.42 1jbc s THR 194 Cb -0.08 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 1jbc s THR 194 CO -0.01 -0.07 0.12 0.72 -0.69 0.00 0.00 174.62 174.70 1jbc s PHE 195 N -0.46 0.11 -0.03 4.92 -0.71 -0.36 -0.75 117.98 120.70 1jbc s PHE 195 Ca -0.03 -0.30 0.06 0.00 -1.04 0.00 0.00 56.93 55.62 1jbc s PHE 195 Cb -0.04 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 1jbc s PHE 195 CO -0.00 -0.33 -0.20 0.99 -1.34 0.00 0.00 175.22 174.34 1jbc s THR 196 N -1.97 2.61 0.03 -4.49 2.01 -0.68 -0.93 115.64 112.22 1jbc s THR 196 Ca -0.10 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 60.97 1jbc s THR 196 Cb -0.05 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1jbc s THR 196 CO -0.01 0.57 -0.03 0.72 -0.69 0.00 0.00 174.62 175.17 1jbc s PHE 197 N -0.70 0.38 -0.21 4.92 -0.71 -0.46 -0.65 117.98 120.56 1jbc s PHE 197 Ca 0.11 -0.73 -0.02 0.00 -1.04 0.00 0.00 56.93 55.25 1jbc s PHE 197 Cb -0.10 -0.28 0.06 0.00 -1.21 0.00 0.00 43.02 41.49 1jbc s PHE 197 CO 0.00 -0.25 0.01 -1.17 -1.34 0.00 0.00 175.22 172.47 1jbc s LEU 198 N -2.02 1.62 -0.31 -1.99 2.96 0.55 -1.13 118.68 118.36 1jbc s LEU 198 Ca -0.07 -0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 52.82 1jbc s LEU 198 Cb -0.03 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.88 1jbc s LEU 198 CO -0.04 -0.29 0.13 -0.63 -1.32 0.00 0.00 176.35 174.20 1jbc s ILE 199 N 1.71 4.34 0.05 6.68 1.01 -1.26 -2.27 121.20 131.46 1jbc s ILE 199 Ca -0.02 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.13 1jbc s ILE 199 Cb -0.18 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1jbc s ILE 199 CO -0.08 0.05 -0.18 -0.54 0.00 0.00 0.00 174.94 174.20 1jbc s LYS 200 N 1.56 1.17 -0.08 2.79 1.02 -1.24 -0.34 119.74 124.63 1jbc s LYS 200 Ca 0.04 -0.88 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 1jbc s LYS 200 Cb -0.17 -1.26 0.04 0.00 -0.52 0.00 0.00 37.83 35.92 1jbc s LYS 200 CO 0.05 0.31 0.39 0.45 -0.92 0.00 0.00 175.35 175.63 1jbc s SER 201 N -1.22 -0.34 0.00 2.83 0.15 -1.26 -0.47 113.70 113.38 1jbc s SER 201 Ca 0.05 0.48 0.26 0.00 0.70 0.00 0.00 55.95 57.44 1jbc s SER 201 Cb -0.08 0.57 1.54 0.00 -1.71 0.00 0.00 66.02 66.34 1jbc s SER 201 CO 0.02 -0.32 1.90 -0.81 1.20 0.00 0.00 173.24 175.22 1jbc n PRO 202 N 1.96 0.81 -4.27 5.44 -0.04 -1.26 -4.87 135.00 132.77 1jbc n PRO 202 Ca -0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.00 1jbc n PRO 202 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1jbc n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jbc s ASP 203 N -2.00 4.13 0.54 3.54 1.01 -1.26 -5.01 116.67 117.63 1jbc s ASP 203 Ca 0.39 -0.50 0.32 0.00 0.71 0.00 0.00 52.55 53.47 1jbc s ASP 203 Cb 0.18 -0.68 1.24 0.00 1.01 0.00 0.00 42.92 44.66 1jbc s ASP 203 CO 0.30 0.16 1.94 0.28 0.21 0.00 0.00 175.17 178.06 1jbc h SER 204 N 3.53 0.00 -3.92 0.27 0.02 -1.98 -3.35 113.55 108.12 1jbc h SER 204 Ca -0.49 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.83 1jbc h SER 204 Cb 1.17 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.30 1jbc h SER 204 CO 0.50 0.00 -0.62 -1.00 -1.14 0.00 0.00 176.83 174.57 1jbc s HIS 205 N -3.61 3.25 0.83 3.45 3.76 -1.26 -5.11 115.29 116.61 1jbc s HIS 205 Ca 0.02 -3.20 -0.11 0.00 -0.15 0.00 0.00 55.06 51.62 1jbc s HIS 205 Cb 0.08 -2.74 0.09 0.00 1.11 0.00 0.00 32.58 31.13 1jbc s HIS 205 CO 0.56 -0.68 1.09 -1.25 -0.85 0.00 0.00 174.74 173.61 1jbc s PRO 206 N -0.65 1.81 0.07 8.40 0.04 -1.26 -4.40 135.00 139.02 1jbc s PRO 206 Ca 0.20 1.07 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 1jbc s PRO 206 Cb -0.19 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.58 1jbc s PRO 206 CO -0.06 -1.93 0.70 0.00 0.04 0.00 0.00 177.00 175.76 1jbc s ALA 207 N -2.89 -1.70 -0.03 8.56 0.00 -1.19 -4.20 121.76 120.32 1jbc s ALA 207 Ca 0.62 0.81 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1jbc s ALA 207 Cb -0.18 0.54 -0.09 0.00 0.00 0.00 0.00 23.12 23.39 1jbc s ALA 207 CO 0.57 -0.65 0.09 -0.25 0.00 0.00 0.00 175.76 175.51 1jbc n ASP 208 N -0.05 3.56 0.00 0.00 8.00 -0.40 -2.43 116.55 125.23 1jbc n ASP 208 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1jbc n ASP 208 Cb 0.62 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.73 1jbc n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jbc n GLY 209 N 2.36 0.81 3.17 0.44 0.00 -1.24 -1.90 105.19 108.84 1jbc n GLY 209 Ca -0.05 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 1jbc n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbc s ILE 210 N -1.07 1.30 0.01 -0.61 1.01 -0.68 -2.69 121.20 118.48 1jbc s ILE 210 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1jbc s ILE 210 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 1jbc s ILE 210 CO 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 174.94 175.01 1jbc s ALA 211 N -0.75 0.44 -0.05 9.38 0.00 0.63 -0.27 121.76 131.14 1jbc s ALA 211 Ca 0.04 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.40 1jbc s ALA 211 Cb -0.08 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1jbc s ALA 211 CO 0.01 0.04 0.45 0.12 0.00 0.00 0.00 175.76 176.38 1jbc s PHE 212 N -0.66 3.64 0.08 0.00 5.36 -0.60 -0.82 117.98 124.97 1jbc s PHE 212 Ca -0.04 0.96 -0.01 0.00 -0.96 0.00 0.00 56.93 56.89 1jbc s PHE 212 Cb -0.05 -2.42 -0.04 0.00 -0.34 0.00 0.00 43.02 40.16 1jbc s PHE 212 CO 0.00 0.42 -0.01 -0.59 -1.46 0.00 0.00 175.22 173.58 1jbc s PHE 213 N -0.30 0.64 -0.05 10.12 -0.71 -0.06 -0.78 117.98 126.85 1jbc s PHE 213 Ca 0.25 -1.10 0.02 0.00 -1.04 0.00 0.00 56.93 55.05 1jbc s PHE 213 Cb -0.16 -0.43 0.02 0.00 -1.21 0.00 0.00 43.02 41.24 1jbc s PHE 213 CO 0.12 -0.40 -0.07 0.42 -1.34 0.00 0.00 175.22 173.95 1jbc s ILE 214 N -3.93 0.75 0.25 -4.49 1.01 0.14 -0.88 121.20 114.05 1jbc s ILE 214 Ca 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 1jbc s ILE 214 Cb 0.08 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1jbc s ILE 214 CO -0.06 0.26 0.30 -0.55 0.00 0.00 0.00 174.94 174.89 1jbc s SER 215 N 0.70 0.42 0.54 3.58 0.15 -0.39 -1.67 113.70 117.03 1jbc s SER 215 Ca -0.11 -1.34 -0.20 0.00 0.70 0.00 0.00 55.95 55.00 1jbc s SER 215 Cb -0.14 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.60 1jbc s SER 215 CO 0.01 -1.02 0.91 -0.46 1.20 0.00 0.00 173.24 173.88 1jbc n ASN 216 N -0.66 0.64 0.26 5.45 6.94 -1.19 -1.16 115.26 125.53 1jbc n ASN 216 Ca 0.02 0.87 0.08 0.00 -0.02 0.00 0.00 54.58 55.53 1jbc n ASN 216 Cb 0.64 -1.34 0.64 0.00 -2.36 0.00 0.00 39.78 37.36 1jbc n ASN 216 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 1jbc h ILE 217 N 0.80 0.98 -0.44 1.53 3.07 -1.85 -1.63 117.51 119.97 1jbc h ILE 217 Ca -0.47 -0.09 -0.00 0.00 1.55 0.00 0.00 64.86 65.85 1jbc h ILE 217 Cb 1.36 1.05 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 1jbc h ILE 217 CO 0.52 0.02 0.00 -0.90 -1.05 0.00 0.00 178.15 176.75 1jbc n ASP 218 N -4.45 4.59 -4.75 2.16 5.68 -1.26 -4.77 116.55 113.75 1jbc n ASP 218 Ca -0.03 -2.71 -0.38 0.00 -0.50 0.00 0.00 54.79 51.17 1jbc n ASP 218 Cb 0.11 -0.64 0.04 0.00 -1.14 0.00 0.00 41.12 39.49 1jbc n ASP 218 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1jbc s SER 219 N -0.59 5.17 0.07 -1.12 0.15 -0.61 -5.02 113.70 111.75 1jbc s SER 219 Ca 0.41 2.67 -0.03 0.00 0.70 0.00 0.00 55.95 59.70 1jbc s SER 219 Cb 0.32 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1jbc s SER 219 CO 0.12 -1.63 0.05 -0.94 1.20 0.00 0.00 173.24 172.04 1jbc s SER 220 N -1.13 0.36 0.09 5.45 1.04 -1.26 -5.09 113.70 113.16 1jbc s SER 220 Ca 0.74 -0.91 -0.31 0.00 0.48 0.00 0.00 55.95 55.95 1jbc s SER 220 Cb -0.38 0.25 -0.09 0.00 0.10 0.00 0.00 66.02 65.90 1jbc s SER 220 CO 0.44 -0.65 1.70 -0.63 0.98 0.00 0.00 173.24 175.07 1jbc s ILE 221 N -3.91 2.86 0.43 -1.02 1.01 -1.26 -4.95 121.20 114.35 1jbc s ILE 221 Ca 0.08 0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.85 1jbc s ILE 221 Cb 0.07 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.23 1jbc s ILE 221 CO -0.09 0.00 1.18 -2.84 0.00 0.00 0.00 174.94 173.19 1jbc s PRO 222 N 2.54 3.90 0.19 2.79 0.02 -1.26 -4.94 135.00 138.24 1jbc s PRO 222 Ca 0.76 1.85 -0.32 0.00 0.02 0.00 0.00 61.00 63.31 1jbc s PRO 222 Cb -0.42 -2.56 -0.15 0.00 0.02 0.00 0.00 34.50 31.38 1jbc s PRO 222 CO 0.33 -0.45 1.16 0.45 -0.33 0.00 0.00 177.00 178.16 1jbc n SER 223 N -0.17 1.42 -0.89 2.53 2.88 -1.26 -2.87 113.62 115.25 1jbc n SER 223 Ca 0.06 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.64 1jbc n SER 223 Cb 0.47 -1.24 -0.03 0.00 -0.75 0.00 0.00 64.21 62.66 1jbc n SER 223 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jbc n GLY 224 N 1.94 0.74 1.96 0.46 0.00 -1.26 -4.80 105.19 104.23 1jbc n GLY 224 Ca 0.14 -0.54 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 1jbc n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jbc n SER 225 N 0.29 5.24 -4.25 1.61 3.41 -1.14 -4.93 113.62 113.85 1jbc n SER 225 Ca -0.11 -3.11 -0.29 0.00 -0.26 0.00 0.00 58.87 55.11 1jbc n SER 225 Cb 0.42 -0.72 0.26 0.00 -0.26 0.00 0.00 64.21 63.90 1jbc n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1jbc s THR 226 N -2.91 1.81 0.00 6.66 -4.23 -1.26 -0.83 115.64 114.89 1jbc s THR 226 Ca 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1jbc s THR 226 Cb 0.43 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1jbc s THR 226 CO 0.15 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 1jbc n GLY 227 N 0.75 2.98 0.25 3.99 0.00 -0.04 -3.02 105.19 110.10 1jbc n GLY 227 Ca 0.05 -0.25 0.17 0.00 0.00 0.00 0.00 46.02 45.99 1jbc n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jbc h ARG 228 N 0.00 0.00 -0.01 1.61 0.11 -1.90 -2.55 114.38 111.65 1jbc h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jbc h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1jbc h ARG 228 CO 0.00 0.00 -0.19 1.28 0.10 0.00 0.00 179.97 181.16 1jbc n LEU 229 N -2.74 1.04 -1.22 0.08 4.77 -1.17 -4.96 117.00 112.81 1jbc n LEU 229 Ca -0.01 -0.27 -0.16 0.00 -0.03 0.00 0.00 56.01 55.54 1jbc n LEU 229 Cb 0.14 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1jbc n LEU 229 CO 0.19 0.19 -0.15 0.18 -1.33 0.00 0.00 177.39 176.47 1jbc n LEU 230 N -0.53 -1.16 -0.07 2.23 4.77 -0.96 -1.35 117.00 119.92 1jbc n LEU 230 Ca 0.14 0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 1jbc n LEU 230 Cb 0.34 -2.26 -0.00 0.00 -2.33 0.00 0.00 43.42 39.16 1jbc n LEU 230 CO 0.24 -0.78 -0.01 0.61 -1.33 0.00 0.00 177.39 176.11 1jbc n GLY 231 N -1.07 0.30 0.06 -0.72 0.00 -0.01 -3.99 105.19 99.78 1jbc n GLY 231 Ca -0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1jbc n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jbc n LEU 232 N -0.11 1.89 -4.27 0.99 4.77 -0.46 -4.38 117.00 115.43 1jbc n LEU 232 Ca -0.01 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 1jbc n LEU 232 Cb 0.30 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1jbc n LEU 232 CO 0.01 0.57 -0.49 -0.36 -1.33 0.00 0.00 177.39 175.79 1jbc s PHE 233 N -2.27 1.63 -0.61 -1.77 0.08 -1.16 -4.80 117.98 109.08 1jbc s PHE 233 Ca -0.14 -0.46 0.25 0.00 0.12 0.00 0.00 56.93 56.70 1jbc s PHE 233 Cb 0.04 -0.87 0.49 0.00 -0.57 0.00 0.00 43.02 42.11 1jbc s PHE 233 CO 0.37 0.20 1.52 -1.00 -0.10 0.00 0.00 175.22 176.21 1jbc h PRO 234 N 3.83 0.00 -3.19 0.24 0.13 -1.92 -3.41 132.00 127.69 1jbc h PRO 234 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1jbc h PRO 234 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1jbc h PRO 234 CO 0.44 0.00 0.20 0.16 -0.23 0.00 0.00 178.00 178.57 1jbc s ASP 235 N -4.77 0.17 -0.24 1.44 1.47 -1.26 -4.89 116.67 108.58 1jbc s ASP 235 Ca 0.07 -1.21 0.14 0.00 1.18 0.00 0.00 52.55 52.73 1jbc s ASP 235 Cb 0.11 0.82 0.83 0.00 -0.34 0.00 0.00 42.92 44.35 1jbc s ASP 235 CO 0.67 -1.63 1.76 0.00 0.68 0.00 0.00 175.17 176.64 1jbc n ALA 236 N -0.54 3.91 0.37 2.11 0.00 -1.26 -4.69 120.51 120.42 1jbc n ALA 236 Ca -0.07 -1.93 0.03 0.00 0.00 0.00 0.00 53.44 51.47 1jbc n ALA 236 Cb 0.60 -1.13 0.18 0.00 0.00 0.00 0.00 19.45 19.10 1jbc n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59