#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsn h LEU 4 N 0.00 0.33 -0.08 -2.67 3.38 -2.05 -2.18 115.31 112.04 3jsn h LEU 4 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3jsn h LEU 4 Cb 0.00 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3jsn h LEU 4 CO 0.00 0.56 0.04 0.28 0.09 0.00 0.00 178.44 179.41 3jsn h SER 5 N 0.30 0.10 -0.64 -0.43 0.02 -2.03 0.29 113.55 111.16 3jsn h SER 5 Ca 0.05 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3jsn h SER 5 Cb 0.56 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3jsn h SER 5 CO 0.04 0.17 0.29 0.28 -1.14 0.00 0.00 176.83 176.46 3jsn h SER 6 N 0.03 0.85 -0.38 3.07 0.02 -1.91 -1.37 113.55 113.86 3jsn h SER 6 Ca 0.03 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.72 3jsn h SER 6 Cb 0.09 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3jsn h SER 6 CO -0.00 0.76 -0.20 -0.09 -1.14 0.00 0.00 176.83 176.16 3jsn h ARG 7 N 0.89 0.81 -0.48 3.45 9.65 -1.06 0.32 114.38 127.95 3jsn h ARG 7 Ca 0.22 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.72 3jsn h ARG 7 Cb 0.15 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 3jsn h ARG 7 CO -0.02 0.99 0.23 0.28 2.80 0.00 0.00 179.97 184.24 3jsn h VAL 8 N 0.61 1.19 -0.47 0.20 2.07 -0.35 0.58 116.25 120.08 3jsn h VAL 8 Ca 0.08 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3jsn h VAL 8 Cb 0.75 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3jsn h VAL 8 CO 0.06 0.21 0.24 0.78 0.02 0.00 0.00 177.57 178.88 3jsn h ASN 9 N 0.63 0.59 0.10 0.57 2.35 -1.06 0.12 115.58 118.89 3jsn h ASN 9 Ca 0.16 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3jsn h ASN 9 Cb 0.12 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3jsn h ASN 9 CO -0.02 0.53 -0.14 -0.08 -1.65 0.00 0.00 177.43 176.06 3jsn h GLU 10 N 0.61 -0.28 -0.96 0.81 4.81 0.13 -1.63 114.58 118.06 3jsn h GLU 10 Ca 0.16 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3jsn h GLU 10 Cb 0.08 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.46 3jsn h GLU 10 CO -0.02 -0.19 0.63 -0.07 -0.73 0.00 0.00 179.01 178.62 3jsn h LEU 11 N -0.30 0.99 -0.46 1.64 3.38 0.41 0.83 115.31 121.80 3jsn h LEU 11 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3jsn h LEU 11 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3jsn h LEU 11 CO -0.07 0.64 0.13 0.45 0.09 0.00 0.00 178.44 179.68 3jsn h HIS 12 N 1.12 0.75 -0.24 1.13 3.86 -0.52 -0.43 115.15 120.82 3jsn h HIS 12 Ca 0.41 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 3jsn h HIS 12 Cb 0.17 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3jsn h HIS 12 CO -0.00 0.68 0.12 -0.44 0.86 0.00 0.00 177.93 179.15 3jsn h ASP 13 N 0.60 0.31 -0.28 2.45 3.32 -0.55 0.39 116.42 122.66 3jsn h ASP 13 Ca 0.15 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3jsn h ASP 13 Cb 0.29 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3jsn h ASP 13 CO -0.00 0.33 0.16 -0.07 -1.72 0.00 0.00 179.24 177.94 3jsn h LEU 14 N 0.27 0.35 -0.28 1.55 3.38 -0.71 -1.97 115.31 117.89 3jsn h LEU 14 Ca 0.08 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3jsn h LEU 14 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3jsn h LEU 14 CO -0.01 0.32 0.02 -0.07 0.09 0.00 0.00 178.44 178.80 3jsn h LEU 15 N 0.34 0.47 -1.14 1.67 3.38 -0.96 -2.47 115.31 116.59 3jsn h LEU 15 Ca 0.10 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3jsn h LEU 15 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3jsn h LEU 15 CO -0.02 0.63 -0.40 0.78 0.09 0.00 0.00 178.44 179.53 3jsn h ASN 16 N 0.28 0.06 -0.29 -0.43 2.35 -0.92 -1.35 115.58 115.28 3jsn h ASN 16 Ca 0.08 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3jsn h ASN 16 Cb 0.38 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3jsn h ASN 16 CO 0.01 0.45 -0.09 -0.61 -1.65 0.00 0.00 177.43 175.54 3jsn h GLN 17 N 0.05 0.69 -0.74 0.81 4.15 -1.32 -1.22 115.11 117.53 3jsn h GLN 17 Ca 0.00 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 3jsn h GLN 17 Cb 0.73 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 3jsn h GLN 17 CO 0.05 0.77 0.41 1.88 -1.93 0.00 0.00 178.83 180.01 3jsn h TYR 18 N 0.64 1.01 0.04 3.99 -1.99 -0.78 -1.93 116.97 117.95 3jsn h TYR 18 Ca 0.12 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 3jsn h TYR 18 Cb 0.53 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3jsn h TYR 18 CO 0.02 0.70 -0.02 0.77 -0.00 0.00 0.00 178.16 179.64 3jsn h SER 19 N 1.04 -0.04 -0.09 3.88 0.02 -1.07 -2.77 113.55 114.51 3jsn h SER 19 Ca 0.26 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3jsn h SER 19 Cb 0.02 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3jsn h SER 19 CO -0.04 0.36 0.14 0.22 -1.14 0.00 0.00 176.83 176.37 3jsn h TYR 20 N -0.46 0.00 0.00 3.45 5.03 -1.25 -3.35 116.97 120.40 3jsn h TYR 20 Ca -0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 3jsn h TYR 20 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.70 3jsn h TYR 20 CO 0.06 0.00 0.00 0.39 -1.32 0.00 0.00 178.16 177.29 3jsn n GLU 21 N -3.51 0.00 -0.24 1.82 1.02 -0.73 -4.76 120.64 114.24 3jsn n GLU 21 Ca -0.01 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3jsn n GLU 21 Cb 0.24 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.03 3jsn n GLU 21 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3jsn h TYR 22 N 0.00 0.79 0.00 -0.32 -1.99 -1.75 -3.52 116.97 110.18 3jsn h TYR 22 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3jsn h TYR 22 Cb 0.00 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 38.48 3jsn h TYR 22 CO 0.00 0.33 0.00 0.66 -0.00 0.00 0.00 178.16 179.15 3jsn n TYR 23 N -4.53 0.00 -1.67 4.88 4.01 -1.25 -5.14 117.16 113.46 3jsn n TYR 23 Ca 0.15 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.95 3jsn n TYR 23 Cb 0.39 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.53 3jsn n TYR 23 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3jsn n SER 33 N 0.00 1.41 -0.22 7.72 3.41 -1.26 -4.57 113.62 120.10 3jsn n SER 33 Ca 0.00 -2.86 0.03 0.00 -0.26 0.00 0.00 58.87 55.78 3jsn n SER 33 Cb 0.00 -0.38 0.13 0.00 -0.26 0.00 0.00 64.21 63.70 3jsn n SER 33 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3jsn h GLU 34 N 0.43 0.15 -0.47 4.33 4.81 -2.05 -3.17 114.58 118.60 3jsn h GLU 34 Ca -0.04 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3jsn h GLU 34 Cb 1.25 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.50 3jsn h GLU 34 CO 0.02 0.10 -0.23 -0.92 -0.73 0.00 0.00 179.01 177.24 3jsn h TYR 35 N 0.15 -0.60 -0.55 0.92 3.20 -1.99 0.34 116.97 118.43 3jsn h TYR 35 Ca 0.36 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.39 3jsn h TYR 35 Cb 0.60 0.33 -0.11 0.00 1.54 0.00 0.00 36.73 39.09 3jsn h TYR 35 CO -0.35 -0.31 -0.26 -0.44 -1.64 0.00 0.00 178.16 175.15 3jsn h ASP 36 N -0.13 -0.92 -0.32 -2.11 3.32 -1.99 0.55 116.42 114.82 3jsn h ASP 36 Ca 0.22 0.20 -0.11 0.00 0.02 0.00 0.00 57.03 57.36 3jsn h ASP 36 Cb 0.48 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 3jsn h ASP 36 CO -0.55 -0.27 -0.23 0.11 -1.72 0.00 0.00 179.24 176.57 3jsn h LYS 37 N -0.13 0.73 -0.07 3.56 1.57 -1.18 -1.41 116.57 119.64 3jsn h LYS 37 Ca 0.24 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3jsn h LYS 37 Cb 0.52 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3jsn h LYS 37 CO -0.63 0.97 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.06 3jsn h LEU 38 N 0.49 -0.27 -0.76 2.94 3.38 -0.80 0.12 115.31 120.41 3jsn h LEU 38 Ca 0.06 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3jsn h LEU 38 Cb 0.79 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 3jsn h LEU 38 CO 0.06 -0.12 0.48 0.25 0.09 0.00 0.00 178.44 179.20 3jsn h LEU 39 N -0.12 0.79 -0.88 1.67 5.85 -0.80 -1.12 115.31 120.70 3jsn h LEU 39 Ca 0.06 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3jsn h LEU 39 Cb 0.20 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3jsn h LEU 39 CO -0.14 0.55 -0.36 0.45 -0.34 0.00 0.00 178.44 178.60 3jsn h HIS 40 N 0.94 0.45 -0.44 1.25 3.86 -0.99 -0.75 115.15 119.46 3jsn h HIS 40 Ca 0.31 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 3jsn h HIS 40 Cb 0.02 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 3jsn h HIS 40 CO -0.03 0.70 0.11 1.49 0.86 0.00 0.00 177.93 181.05 3jsn h GLU 41 N 0.33 0.71 -0.47 2.45 4.81 0.20 -2.38 114.58 120.23 3jsn h GLU 41 Ca 0.04 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 58.98 3jsn h GLU 41 Cb 0.79 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3jsn h GLU 41 CO 0.06 0.71 -0.14 1.25 -0.73 0.00 0.00 179.01 180.17 3jsn h LEU 42 N 0.58 0.94 -0.77 1.64 5.85 -0.87 -1.32 115.31 121.37 3jsn h LEU 42 Ca 0.14 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.61 3jsn h LEU 42 Cb 0.32 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 3jsn h LEU 42 CO 0.00 1.10 0.37 0.40 -0.34 0.00 0.00 178.44 179.97 3jsn h ILE 43 N 0.78 0.77 -0.08 4.05 2.04 -1.13 0.65 117.51 124.58 3jsn h ILE 43 Ca 0.12 -0.20 -0.17 0.00 1.00 0.00 0.00 64.86 65.61 3jsn h ILE 43 Cb 0.70 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3jsn h ILE 43 CO 0.05 0.11 -0.67 0.50 0.00 0.00 0.00 178.15 178.14 3jsn h LYS 44 N 0.58 0.35 -0.28 2.37 3.64 -1.09 -1.61 116.57 120.53 3jsn h LYS 44 Ca 0.40 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3jsn h LYS 44 Cb 0.51 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3jsn h LYS 44 CO -0.32 0.90 0.15 0.82 -2.27 0.00 0.00 179.45 178.72 3jsn h ILE 45 N 0.25 1.02 0.00 2.00 2.04 -0.42 -2.43 117.51 119.98 3jsn h ILE 45 Ca -0.02 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3jsn h ILE 45 Cb 1.22 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3jsn h ILE 45 CO 0.11 0.06 -0.19 -0.33 0.00 0.00 0.00 178.15 177.80 3jsn h GLU 46 N 0.32 0.00 -0.27 2.37 5.08 -0.62 0.43 114.58 121.90 3jsn h GLU 46 Ca 0.11 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 3jsn h GLU 46 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3jsn h GLU 46 CO -0.06 0.19 -0.49 0.93 -1.00 0.00 0.00 179.01 178.59 3jsn h GLU 47 N 0.00 0.80 0.00 2.33 5.08 -1.13 -2.42 114.58 119.24 3jsn h GLU 47 Ca -0.00 -0.51 -0.09 0.00 -1.00 0.00 0.00 59.36 57.77 3jsn h GLU 47 Cb 0.39 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3jsn h GLU 47 CO 0.03 1.14 -0.48 0.93 -1.00 0.00 0.00 179.01 179.62 3jsn h GLU 48 N 0.56 0.00 -2.46 2.33 4.39 -0.97 -3.40 114.58 115.04 3jsn h GLU 48 Ca 0.02 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.12 3jsn h GLU 48 Cb 1.09 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.35 3jsn h GLU 48 CO 0.11 0.38 -0.90 0.72 -1.16 0.00 0.00 179.01 178.16 3jsn n HIS 49 N -3.17 0.13 0.29 4.33 8.25 0.15 -4.97 115.22 120.24 3jsn n HIS 49 Ca 0.02 -3.57 0.16 0.00 -0.26 0.00 0.00 57.72 54.07 3jsn n HIS 49 Cb 0.70 -0.01 0.90 0.00 1.12 0.00 0.00 29.99 32.70 3jsn n HIS 49 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3jsn h PRO 50 N 5.34 0.00 0.00 -0.41 0.11 -1.66 -1.51 132.00 133.87 3jsn h PRO 50 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3jsn h PRO 50 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3jsn h PRO 50 CO 0.47 0.05 0.00 1.05 -0.21 0.00 0.00 178.00 179.35 3jsn h GLU 51 N 0.00 0.00 -0.01 1.05 9.09 -1.93 -2.17 114.58 120.61 3jsn h GLU 51 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3jsn h GLU 51 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 3jsn h GLU 51 CO 0.01 0.00 -0.06 0.66 0.05 0.00 0.00 179.01 179.66 3jsn n TYR 52 N -2.84 0.00 -2.70 2.06 4.01 -0.57 -4.75 117.16 112.37 3jsn n TYR 52 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3jsn n TYR 52 Cb 0.20 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 3jsn n TYR 52 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3jsn s LYS 53 N -2.22 3.64 0.70 -0.72 2.20 -0.82 -4.99 119.74 117.53 3jsn s LYS 53 Ca 0.36 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 56.30 3jsn s LYS 53 Cb 0.21 -3.91 0.07 0.00 -1.51 0.00 0.00 37.83 32.69 3jsn s LYS 53 CO 0.41 -1.30 1.00 0.95 -0.36 0.00 0.00 175.35 176.05 3jsn s THR 54 N 4.12 2.29 0.29 3.43 -4.23 -1.26 -4.94 115.64 115.35 3jsn s THR 54 Ca 0.43 -0.33 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 3jsn s THR 54 Cb -0.09 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 70.95 3jsn s THR 54 CO 0.29 0.00 1.84 0.58 -0.54 0.00 0.00 174.62 176.79 3jsn h VAL 55 N -0.57 1.22 -0.55 2.29 2.07 -2.00 -2.18 116.25 116.53 3jsn h VAL 55 Ca -0.43 -0.79 -0.29 0.00 0.82 0.00 0.00 66.70 66.01 3jsn h VAL 55 Cb 1.30 0.71 -0.17 0.00 -1.52 0.00 0.00 31.29 31.62 3jsn h VAL 55 CO 0.56 0.29 0.36 -0.90 0.02 0.00 0.00 177.57 177.90 3jsn n ASP 56 N -4.28 3.42 -4.75 0.57 5.75 -1.26 -4.99 116.55 111.01 3jsn n ASP 56 Ca 0.03 -2.89 -0.41 0.00 -0.01 0.00 0.00 54.79 51.51 3jsn n ASP 56 Cb 0.22 -0.69 -0.02 0.00 -1.03 0.00 0.00 41.12 39.61 3jsn n ASP 56 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3jsn s SER 57 N -0.28 6.51 0.00 -1.12 0.15 -0.82 -4.85 113.70 113.29 3jsn s SER 57 Ca 0.32 2.81 0.19 0.00 0.70 0.00 0.00 55.95 59.96 3jsn s SER 57 Cb 0.27 -2.63 1.09 0.00 -1.71 0.00 0.00 66.02 63.03 3jsn s SER 57 CO 0.06 -0.81 1.54 -2.65 1.20 0.00 0.00 173.24 172.58 3jsn n PRO 58 N 2.33 0.51 0.15 5.44 -0.02 -1.26 -2.90 135.00 139.26 3jsn n PRO 58 Ca 0.08 0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 3jsn n PRO 58 Cb 0.39 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 32.90 3jsn n PRO 58 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3jsn h THR 59 N 0.00 0.00 0.00 3.45 1.35 -1.94 -2.00 112.91 113.77 3jsn h THR 59 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3jsn h THR 59 Cb 0.04 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3jsn h THR 59 CO 0.00 0.00 0.00 -0.37 -0.25 0.00 0.00 175.52 174.90 3jsn h VAL 60 N 0.00 0.00 0.00 6.82 -1.51 -1.83 -2.69 116.25 117.04 3jsn h VAL 60 Ca 0.00 -0.35 -0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3jsn h VAL 60 Cb 0.35 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.76 3jsn h VAL 60 CO 0.00 0.00 -0.01 0.03 -1.23 0.00 0.00 177.57 176.36 3jsn h ARG 61 N 0.00 0.00 -0.01 5.19 2.47 -1.52 -0.56 114.38 119.96 3jsn h ARG 61 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3jsn h ARG 61 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3jsn h ARG 61 CO 0.00 0.01 -0.06 1.33 0.56 0.00 0.00 179.97 181.81 3jsn n VAL 62 N -3.34 0.00 0.00 2.04 0.24 -1.02 -4.61 118.33 111.65 3jsn n VAL 62 Ca -0.03 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3jsn n VAL 62 Cb 0.10 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 3jsn n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jsn n GLY 63 N 1.19 -0.56 3.79 7.63 0.00 -0.22 -4.37 105.19 112.65 3jsn n GLY 63 Ca 0.18 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 3jsn n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jsn s GLY 64 N -1.37 0.29 0.18 -0.02 0.00 -1.26 -4.77 107.32 100.36 3jsn s GLY 64 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 44.72 43.94 3jsn s GLY 64 CO 0.00 -0.30 1.80 0.83 0.00 0.00 0.00 173.10 175.43 3jsn h GLU 65 N 2.03 0.81 -6.24 2.90 4.39 -2.00 -3.41 114.58 113.06 3jsn h GLU 65 Ca -0.26 -0.08 -0.56 0.00 0.34 0.00 0.00 59.36 58.79 3jsn h GLU 65 Cb 1.25 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.75 3jsn h GLU 65 CO 0.33 0.59 1.29 0.00 -1.16 0.00 0.00 179.01 180.07 3jsn n ALA 66 N -2.30 1.53 -2.19 3.43 0.00 -1.26 -4.98 120.51 114.74 3jsn n ALA 66 Ca 0.04 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 3jsn n ALA 66 Cb 0.07 -2.72 -0.03 0.00 0.00 0.00 0.00 19.45 16.77 3jsn n ALA 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3jsn s GLN 67 N 4.97 4.39 0.93 0.00 0.74 -1.26 -4.68 119.66 124.74 3jsn s GLN 67 Ca 0.93 1.96 -0.10 0.00 0.05 0.00 0.00 55.36 58.20 3jsn s GLN 67 Cb -0.46 -3.26 0.16 0.00 1.10 0.00 0.00 33.01 30.55 3jsn s GLN 67 CO 0.42 -0.30 1.14 0.00 -0.55 0.00 0.00 175.29 176.00 3jsn s ALA 68 N 0.74 1.36 0.02 1.58 0.00 -1.25 -4.93 121.76 119.28 3jsn s ALA 68 Ca 0.60 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 3jsn s ALA 68 Cb -0.34 -3.45 -0.34 0.00 0.00 0.00 0.00 23.12 18.98 3jsn s ALA 68 CO 0.32 -2.85 0.95 0.66 0.00 0.00 0.00 175.76 174.84 3jsn h SER 69 N -1.94 0.78 -2.04 0.00 4.64 -1.96 -3.47 113.55 109.55 3jsn h SER 69 Ca -0.44 -0.88 -0.41 0.00 -0.47 0.00 0.00 61.79 59.59 3jsn h SER 69 Cb 1.27 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 63.02 3jsn h SER 69 CO 0.41 1.70 -0.46 0.49 -0.87 0.00 0.00 176.83 178.10 3jsn n PHE 70 N -3.68 -0.53 -1.74 4.77 3.72 -0.82 -4.96 117.46 114.23 3jsn n PHE 70 Ca -0.18 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.85 3jsn n PHE 70 Cb 1.10 -3.70 0.06 0.00 -0.94 0.00 0.00 39.48 35.99 3jsn n PHE 70 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3jsn s ASN 71 N -2.40 4.76 -0.16 4.37 0.02 -1.26 -4.52 114.94 115.75 3jsn s ASN 71 Ca 0.00 2.68 -0.21 0.00 -1.02 0.00 0.00 52.86 54.31 3jsn s ASN 71 Cb 0.00 -2.62 -0.03 0.00 0.02 0.00 0.00 41.25 38.62 3jsn s ASN 71 CO 0.00 -1.91 0.64 -0.54 0.02 0.00 0.00 177.10 175.31 3jsn s LYS 72 N -3.25 4.28 -0.02 -0.60 3.01 -1.26 -0.83 119.74 121.07 3jsn s LYS 72 Ca 0.80 0.68 0.01 0.00 -1.01 0.00 0.00 55.97 56.44 3jsn s LYS 72 Cb -0.39 -3.54 0.01 0.00 -1.01 0.00 0.00 37.83 32.90 3jsn s LYS 72 CO 0.42 -0.14 -0.03 0.08 0.51 0.00 0.00 175.35 176.19 3jsn s VAL 73 N 1.57 0.31 0.26 3.17 1.01 -0.22 -4.96 120.40 121.53 3jsn s VAL 73 Ca 0.31 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 3jsn s VAL 73 Cb -0.16 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.81 3jsn s VAL 73 CO 0.12 0.12 1.09 0.20 0.00 0.00 0.00 175.10 176.63 3jsn s ASN 74 N 0.34 7.30 0.70 3.32 0.01 -1.26 -1.37 114.94 123.98 3jsn s ASN 74 Ca -0.03 2.22 -0.16 0.00 -0.71 0.00 0.00 52.86 54.17 3jsn s ASN 74 Cb -0.07 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 38.99 3jsn s ASN 74 CO -0.01 -0.13 1.23 -1.00 -1.51 0.00 0.00 177.10 175.68 3jsn s HIS 75 N -1.00 2.08 0.20 2.20 3.76 -0.29 -4.91 115.29 117.33 3jsn s HIS 75 Ca 0.45 1.57 -0.11 0.00 -0.15 0.00 0.00 55.06 56.82 3jsn s HIS 75 Cb -0.31 -3.53 0.22 0.00 1.11 0.00 0.00 32.58 30.07 3jsn s HIS 75 CO 0.39 -2.66 1.77 -0.44 -0.85 0.00 0.00 174.74 172.95 3jsn h ASP 76 N -0.00 0.33 -3.72 1.40 5.19 -1.95 -3.39 116.42 114.28 3jsn h ASP 76 Ca -0.49 0.05 -0.62 0.00 -0.62 0.00 0.00 57.03 55.35 3jsn h ASP 76 Cb 1.31 -0.00 -0.32 0.00 0.18 0.00 0.00 39.33 40.49 3jsn h ASP 76 CO 0.51 0.21 -0.86 -0.89 -3.12 0.00 0.00 179.24 175.09 3jsn s THR 77 N -6.11 1.74 0.41 0.35 2.01 -1.26 -5.13 115.64 107.66 3jsn s THR 77 Ca -0.13 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.75 3jsn s THR 77 Cb 0.16 -1.50 -0.10 0.00 0.01 0.00 0.00 72.50 71.07 3jsn s THR 77 CO 0.74 0.49 1.24 -2.65 -0.69 0.00 0.00 174.62 173.75 3jsn n PRO 78 N 3.28 1.87 -1.72 4.92 -0.02 -1.26 -4.96 135.00 137.11 3jsn n PRO 78 Ca -0.19 0.67 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 3jsn n PRO 78 Cb 0.52 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3jsn n PRO 78 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3jsn s MET 79 N -2.15 3.12 0.52 -0.52 -1.94 0.12 -4.97 119.30 113.48 3jsn s MET 79 Ca 0.61 0.98 -0.21 0.00 -1.71 0.00 0.00 55.69 55.35 3jsn s MET 79 Cb -0.52 -2.01 -0.06 0.00 2.01 0.00 0.00 34.83 34.24 3jsn s MET 79 CO 0.58 -0.95 1.19 -0.51 -0.01 0.00 0.00 175.02 175.32 3jsn s LEU 80 N -5.26 3.86 -0.30 -0.03 1.43 -1.26 -4.84 118.68 112.29 3jsn s LEU 80 Ca 0.59 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 56.07 3jsn s LEU 80 Cb -0.14 -4.40 0.08 0.00 0.03 0.00 0.00 46.19 41.76 3jsn s LEU 80 CO 0.51 -1.20 -0.04 -0.55 0.23 0.00 0.00 176.35 175.30 3jsn s SER 81 N -1.45 4.61 0.09 2.29 0.15 -1.26 -5.05 113.70 113.08 3jsn s SER 81 Ca 0.69 -1.71 -0.21 0.00 0.70 0.00 0.00 55.95 55.42 3jsn s SER 81 Cb -0.29 -1.59 -0.07 0.00 -1.71 0.00 0.00 66.02 62.36 3jsn s SER 81 CO 0.34 -0.28 0.64 -0.76 1.20 0.00 0.00 173.24 174.38 3jsn s LEU 82 N 1.03 4.53 0.96 3.45 1.43 -1.26 -4.33 118.68 124.49 3jsn s LEU 82 Ca -0.00 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 3jsn s LEU 82 Cb -0.20 -3.03 0.17 0.00 0.03 0.00 0.00 46.19 43.17 3jsn s LEU 82 CO -0.06 0.23 1.09 -0.83 0.23 0.00 0.00 176.35 177.01 3jsn s GLY 83 N -0.97 1.63 0.13 -3.19 0.00 -1.26 -4.81 107.32 98.84 3jsn s GLY 83 Ca 0.31 0.15 0.07 0.00 0.00 0.00 0.00 44.72 45.26 3jsn s GLY 83 CO 0.21 0.67 -0.08 -1.31 0.00 0.00 0.00 173.10 172.58 3jsn s ASN 84 N -2.95 4.43 0.05 1.64 0.01 -1.26 -1.23 114.94 115.63 3jsn s ASN 84 Ca 0.66 -0.42 0.08 0.00 -0.71 0.00 0.00 52.86 52.46 3jsn s ASN 84 Cb -0.21 -0.85 -0.03 0.00 0.41 0.00 0.00 41.25 40.58 3jsn s ASN 84 CO 0.59 0.15 -0.22 0.00 -1.51 0.00 0.00 177.10 176.11 3jsn s ALA 85 N -1.38 1.90 0.00 0.60 0.00 -0.10 -4.90 121.76 117.87 3jsn s ALA 85 Ca 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3jsn s ALA 85 Cb -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3jsn s ALA 85 CO 0.15 0.43 0.02 1.19 0.00 0.00 0.00 175.76 177.55 3jsn n PHE 86 N 1.78 0.00 -3.83 0.00 3.72 -1.26 -1.09 117.46 116.79 3jsn n PHE 86 Ca -0.17 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.16 3jsn n PHE 86 Cb 0.53 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 3jsn n PHE 86 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3jsn s ASN 87 N -0.67 -0.05 0.38 4.37 2.20 -1.26 -4.92 114.94 114.98 3jsn s ASN 87 Ca 0.00 -0.93 0.06 0.00 -0.94 0.00 0.00 52.86 51.05 3jsn s ASN 87 Cb 0.00 0.75 0.74 0.00 -2.00 0.00 0.00 41.25 40.74 3jsn s ASN 87 CO 0.00 -1.47 1.97 -0.08 -2.94 0.00 0.00 177.10 174.58 3jsn h GLU 88 N 2.00 0.50 -0.53 3.55 4.81 -1.99 -2.35 114.58 120.57 3jsn h GLU 88 Ca -0.29 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 3jsn h GLU 88 Cb 1.24 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3jsn h GLU 88 CO 0.36 0.44 0.09 0.22 -0.73 0.00 0.00 179.01 179.39 3jsn h ASP 89 N 0.50 0.83 -0.76 1.04 3.58 -1.99 -1.22 116.42 118.40 3jsn h ASP 89 Ca 0.12 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.35 3jsn h ASP 89 Cb 0.15 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.94 3jsn h ASP 89 CO -0.01 0.88 0.50 0.44 -2.88 0.00 0.00 179.24 178.17 3jsn h ASP 90 N 0.75 0.77 0.73 2.28 3.32 -1.83 -2.16 116.42 120.28 3jsn h ASP 90 Ca 0.16 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.99 3jsn h ASP 90 Cb 0.40 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3jsn h ASP 90 CO 0.01 0.52 -1.00 -0.07 -1.72 0.00 0.00 179.24 176.98 3jsn h LEU 91 N 0.89 0.21 -0.62 1.55 3.38 -1.12 -2.39 115.31 117.21 3jsn h LEU 91 Ca 0.31 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3jsn h LEU 91 Cb 0.10 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3jsn h LEU 91 CO -0.09 1.09 -0.67 0.03 0.09 0.00 0.00 178.44 178.88 3jsn h ARG 92 N 0.06 0.09 -0.30 1.13 3.08 -0.93 -1.32 114.38 116.19 3jsn h ARG 92 Ca -0.06 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 3jsn h ARG 92 Cb 1.70 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.76 3jsn h ARG 92 CO 0.15 0.73 -0.27 0.87 -1.07 0.00 0.00 179.97 180.38 3jsn h LYS 93 N 0.06 0.71 -0.18 0.04 1.57 -1.42 -0.41 116.57 116.95 3jsn h LYS 93 Ca -0.01 -0.36 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 3jsn h LYS 93 Cb 1.19 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3jsn h LYS 93 CO 0.09 0.98 -0.07 0.35 -0.57 0.00 0.00 179.45 180.23 3jsn h PHE 94 N 0.45 -0.15 -0.04 -1.35 3.57 -1.26 -0.94 116.94 117.22 3jsn h PHE 94 Ca 0.05 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 3jsn h PHE 94 Cb 0.84 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3jsn h PHE 94 CO 0.07 -0.11 -0.69 0.22 -2.23 0.00 0.00 178.31 175.57 3jsn h ASP 95 N -0.04 0.24 -0.35 0.41 3.58 -1.17 -2.57 116.42 116.53 3jsn h ASP 95 Ca 0.09 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.33 3jsn h ASP 95 Cb 0.18 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 3jsn h ASP 95 CO -0.21 0.86 0.01 -0.61 -2.88 0.00 0.00 179.24 176.42 3jsn h GLN 96 N 0.14 0.61 -0.57 0.28 4.15 -0.85 -0.35 115.11 118.53 3jsn h GLN 96 Ca -0.02 -0.19 0.10 0.00 0.77 0.00 0.00 58.65 59.31 3jsn h GLN 96 Cb 1.23 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 3jsn h GLN 96 CO 0.10 0.72 0.15 -0.09 -1.93 0.00 0.00 178.83 177.78 3jsn h ARG 97 N 0.43 0.29 0.15 1.69 2.43 -1.09 0.08 114.38 118.36 3jsn h ARG 97 Ca 0.10 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3jsn h ARG 97 Cb 0.43 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3jsn h ARG 97 CO 0.02 0.19 -0.07 0.82 -1.51 0.00 0.00 179.97 179.41 3jsn h ILE 98 N 0.30 0.88 -0.59 1.20 2.04 -1.39 -2.25 117.51 117.70 3jsn h ILE 98 Ca 0.29 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.93 3jsn h ILE 98 Cb 0.40 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3jsn h ILE 98 CO -0.35 0.03 0.01 0.03 0.00 0.00 0.00 178.15 177.87 3jsn h ARG 99 N -0.26 1.04 -0.83 2.37 3.08 -0.86 -1.63 114.38 117.30 3jsn h ARG 99 Ca -0.02 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.67 3jsn h ARG 99 Cb 0.21 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3jsn h ARG 99 CO 0.03 1.02 0.40 0.93 -1.07 0.00 0.00 179.97 181.29 3jsn h GLU 100 N 0.94 1.19 0.01 0.04 5.08 -1.02 -0.07 114.58 120.74 3jsn h GLU 100 Ca 0.17 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jsn h GLU 100 Cb 0.54 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3jsn h GLU 100 CO 0.03 0.91 -0.00 0.37 -1.00 0.00 0.00 179.01 179.31 3jsn h GLN 101 N 1.18 -0.01 0.00 2.33 4.15 -1.08 -3.41 115.11 118.27 3jsn h GLN 101 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.71 3jsn h GLN 101 Cb 0.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3jsn h GLN 101 CO -0.04 0.60 0.00 0.44 -1.93 0.00 0.00 178.83 177.90 3jsn n ILE 102 N -4.80 0.22 -3.61 2.39 -5.35 -0.64 -5.11 119.36 102.47 3jsn n ILE 102 Ca -0.09 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 3jsn n ILE 102 Cb 0.31 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 3jsn n ILE 102 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jsn n GLY 103 N -0.11 -0.25 3.75 3.28 0.00 -0.04 -4.93 105.19 106.89 3jsn n GLY 103 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3jsn n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jsn s ASN 104 N -4.00 6.95 0.08 1.61 2.47 -1.26 -4.14 114.94 116.65 3jsn s ASN 104 Ca 0.00 2.45 -0.01 0.00 0.42 0.00 0.00 52.86 55.72 3jsn s ASN 104 Cb 0.00 -2.62 -0.04 0.00 -1.45 0.00 0.00 41.25 37.14 3jsn s ASN 104 CO 0.00 -0.44 -0.00 0.68 -3.72 0.00 0.00 177.10 173.62 3jsn s VAL 105 N -0.53 0.21 0.36 -5.21 -7.23 -1.26 -5.09 120.40 101.64 3jsn s VAL 105 Ca 0.52 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 3jsn s VAL 105 Cb -0.36 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3jsn s VAL 105 CO 0.43 -0.81 0.16 -1.61 -0.31 0.00 0.00 175.10 172.96 3jsn s GLU 106 N -3.96 2.36 -0.02 4.82 8.01 -1.26 -4.62 118.70 124.03 3jsn s GLU 106 Ca 0.13 -1.60 0.07 0.00 0.01 0.00 0.00 54.97 53.59 3jsn s GLU 106 Cb 0.08 -2.16 -0.02 0.00 -4.31 0.00 0.00 34.13 27.72 3jsn s GLU 106 CO -0.06 0.05 -0.23 0.71 0.01 0.00 0.00 175.26 175.74 3jsn s TYR 107 N -2.46 2.08 -0.16 1.61 2.02 -0.21 -1.09 117.35 119.15 3jsn s TYR 107 Ca 0.39 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.55 3jsn s TYR 107 Cb -0.02 -1.34 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 3jsn s TYR 107 CO 0.23 -0.03 0.33 1.41 -1.57 0.00 0.00 175.55 175.91 3jsn s MET 108 N -0.56 4.27 -0.06 -0.62 -2.45 0.62 -0.20 119.30 120.29 3jsn s MET 108 Ca 0.09 0.15 0.03 0.00 -1.25 0.00 0.00 55.69 54.71 3jsn s MET 108 Cb -0.09 -3.44 -0.02 0.00 1.25 0.00 0.00 34.83 32.53 3jsn s MET 108 CO -0.01 0.21 -0.14 0.00 1.05 0.00 0.00 175.02 176.13 3jsn s GLU 110 N -0.56 0.81 0.13 0.00 2.02 -0.57 -0.89 118.70 119.64 3jsn s GLU 110 Ca 0.08 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 3jsn s GLU 110 Cb -0.11 0.34 -0.07 0.00 0.10 0.00 0.00 34.13 34.39 3jsn s GLU 110 CO 0.01 -0.26 0.91 -0.51 0.02 0.00 0.00 175.26 175.44 3jsn s LEU 111 N -2.44 4.53 -0.48 1.80 1.43 -1.26 -0.35 118.68 121.90 3jsn s LEU 111 Ca -0.00 1.77 -0.22 0.00 -1.03 0.00 0.00 54.13 54.65 3jsn s LEU 111 Cb 0.02 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.75 3jsn s LEU 111 CO -0.07 0.02 0.73 -0.75 0.23 0.00 0.00 176.35 176.51 3jsn s LYS 112 N -0.37 3.28 0.25 1.70 2.20 0.37 -4.78 119.74 122.40 3jsn s LYS 112 Ca 0.43 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 3jsn s LYS 112 Cb -0.23 -4.00 -0.09 0.00 -1.51 0.00 0.00 37.83 31.99 3jsn s LYS 112 CO 0.29 -1.18 1.29 0.42 -0.36 0.00 0.00 175.35 175.81 3jsn s ILE 113 N 3.12 3.06 -1.11 5.43 -1.09 -1.26 -1.23 121.20 128.11 3jsn s ILE 113 Ca 0.24 0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 59.43 3jsn s ILE 113 Cb -0.14 -3.60 0.12 0.00 -1.58 0.00 0.00 42.46 37.25 3jsn s ILE 113 CO 0.18 0.18 1.41 -0.62 -1.23 0.00 0.00 174.94 174.86 3jsn s ASP 114 N -0.06 6.79 0.00 3.58 2.15 -0.51 -4.71 116.67 123.91 3jsn s ASP 114 Ca 0.53 -2.32 0.00 0.00 0.43 0.00 0.00 52.55 51.19 3jsn s ASP 114 Cb -0.37 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 39.78 3jsn s ASP 114 CO 0.43 -1.07 0.00 0.61 -0.17 0.00 0.00 175.17 174.98 3jsn n GLY 115 N 5.29 4.85 3.54 2.66 0.00 -1.26 -4.01 105.19 116.26 3jsn n GLY 115 Ca 0.35 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3jsn n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jsn s LEU 116 N 0.00 4.40 0.22 0.99 2.96 0.49 -4.88 118.68 122.86 3jsn s LEU 116 Ca 0.00 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 3jsn s LEU 116 Cb 0.00 -2.70 -0.09 0.00 0.50 0.00 0.00 46.19 43.90 3jsn s LEU 116 CO 0.00 -0.64 1.32 0.00 -1.32 0.00 0.00 176.35 175.71 3jsn s ALA 117 N 2.66 3.53 0.07 5.97 0.00 -1.26 -0.17 121.76 132.55 3jsn s ALA 117 Ca 0.22 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 3jsn s ALA 117 Cb -0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3jsn s ALA 117 CO 0.16 -0.56 -0.02 0.14 0.00 0.00 0.00 175.76 175.49 3jsn s VAL 118 N -0.11 0.23 -0.05 0.00 -7.23 -0.34 -1.39 120.40 111.51 3jsn s VAL 118 Ca 0.56 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 3jsn s VAL 118 Cb -0.37 -1.63 -0.00 0.00 0.56 0.00 0.00 36.38 34.94 3jsn s VAL 118 CO 0.41 -0.89 -0.19 -0.94 -0.31 0.00 0.00 175.10 173.18 3jsn s SER 119 N -2.95 2.36 -0.24 4.85 1.04 -0.16 -1.57 113.70 117.03 3jsn s SER 119 Ca 0.10 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 3jsn s SER 119 Cb 0.08 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.50 3jsn s SER 119 CO -0.08 0.16 -0.04 -0.76 0.98 0.00 0.00 173.24 173.50 3jsn s LEU 120 N 0.06 3.13 -0.19 2.42 1.43 0.88 -1.44 118.68 124.97 3jsn s LEU 120 Ca -0.06 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.20 3jsn s LEU 120 Cb -0.13 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 3jsn s LEU 120 CO 0.03 -0.10 0.38 -0.75 0.23 0.00 0.00 176.35 176.14 3jsn s LYS 121 N 1.39 4.19 -0.13 1.70 2.20 0.70 -0.20 119.74 129.59 3jsn s LYS 121 Ca 0.03 0.18 -0.00 0.00 -0.36 0.00 0.00 55.97 55.81 3jsn s LYS 121 Cb -0.16 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3jsn s LYS 121 CO -0.04 0.01 -0.13 0.71 -0.36 0.00 0.00 175.35 175.55 3jsn s TYR 122 N 1.14 2.82 -0.15 4.03 2.02 -0.01 -0.45 117.35 126.76 3jsn s TYR 122 Ca 0.19 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 3jsn s TYR 122 Cb -0.14 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3jsn s TYR 122 CO 0.07 -0.23 -0.14 0.08 -1.57 0.00 0.00 175.55 173.77 3jsn s VAL 123 N 0.40 1.58 -1.42 0.71 1.01 -0.01 -1.50 120.40 121.18 3jsn s VAL 123 Ca -0.10 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3jsn s VAL 123 Cb -0.16 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.78 3jsn s VAL 123 CO 0.05 0.46 0.53 0.47 0.00 0.00 0.00 175.10 176.61 3jsn n ASP 124 N 4.77 -4.97 0.00 3.32 9.92 -1.00 -1.29 116.55 127.30 3jsn n ASP 124 Ca -0.17 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 53.78 3jsn n ASP 124 Cb 0.50 -4.05 0.00 0.00 -0.64 0.00 0.00 41.12 36.93 3jsn n ASP 124 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3jsn n GLY 125 N -1.34 0.72 3.86 0.44 0.00 0.79 -4.55 105.19 105.10 3jsn n GLY 125 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3jsn n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jsn s TYR 126 N -3.11 3.65 -0.15 1.61 2.02 -0.41 -0.33 117.35 120.63 3jsn s TYR 126 Ca 0.00 0.78 -0.29 0.00 -0.37 0.00 0.00 57.07 57.19 3jsn s TYR 126 Cb 0.00 -2.13 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 3jsn s TYR 126 CO 0.00 0.65 1.38 0.12 -1.57 0.00 0.00 175.55 176.13 3jsn s PHE 127 N -1.15 2.58 0.00 2.71 5.36 -0.39 -0.83 117.98 126.27 3jsn s PHE 127 Ca 0.23 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 3jsn s PHE 127 Cb -0.15 -3.67 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 3jsn s PHE 127 CO 0.12 -2.29 0.00 1.33 -1.46 0.00 0.00 175.22 172.92 3jsn n VAL 128 N 5.54 0.00 -3.67 3.12 0.24 0.41 -4.97 118.33 118.99 3jsn n VAL 128 Ca 0.15 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 3jsn n VAL 128 Cb 0.45 0.70 -0.09 0.00 -1.47 0.00 0.00 33.84 33.43 3jsn n VAL 128 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3jsn s GLN 129 N -0.97 0.57 -0.11 7.34 0.74 -1.10 -5.01 119.66 121.12 3jsn s GLN 129 Ca 0.00 0.93 0.02 0.00 0.05 0.00 0.00 55.36 56.35 3jsn s GLN 129 Cb 0.00 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.25 3jsn s GLN 129 CO 0.00 -0.13 -0.14 0.20 -0.55 0.00 0.00 175.29 174.66 3jsn s GLY 130 N 1.18 1.00 0.14 2.59 0.00 -1.26 -0.21 107.32 110.75 3jsn s GLY 130 Ca -0.07 -0.69 0.11 0.00 0.00 0.00 0.00 44.72 44.07 3jsn s GLY 130 CO -0.11 0.27 -0.26 1.08 0.00 0.00 0.00 173.10 174.07 3jsn s LEU 131 N 1.02 2.36 0.79 0.66 1.43 -0.52 -1.34 118.68 123.07 3jsn s LEU 131 Ca -0.06 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 3jsn s LEU 131 Cb -0.15 -1.23 0.07 0.00 0.03 0.00 0.00 46.19 44.91 3jsn s LEU 131 CO -0.02 0.17 1.12 0.42 0.23 0.00 0.00 176.35 178.27 3jsn s THR 132 N -1.16 2.90 0.35 5.49 -4.23 -0.54 -0.99 115.64 117.46 3jsn s THR 132 Ca 0.15 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 61.03 3jsn s THR 132 Cb -0.10 -2.70 0.18 0.00 1.34 0.00 0.00 72.50 71.23 3jsn s THR 132 CO 0.07 -0.35 1.92 -0.09 -0.54 0.00 0.00 174.62 175.62 3jsn h ARG 133 N -1.09 0.55 0.00 3.99 2.43 -1.54 -3.36 114.38 115.36 3jsn h ARG 133 Ca -0.44 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 3jsn h ARG 133 Cb 1.25 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3jsn h ARG 133 CO 0.49 0.52 0.00 0.41 -1.51 0.00 0.00 179.97 179.88 3jsn n GLY 134 N -1.02 3.01 0.27 2.80 0.00 -1.26 -1.09 105.19 107.89 3jsn n GLY 134 Ca 0.02 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.83 3jsn n GLY 134 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3jsn n ASP 135 N 3.65 0.78 0.00 1.61 5.68 -1.06 -4.88 116.55 122.32 3jsn n ASP 135 Ca 0.00 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 3jsn n ASP 135 Cb 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3jsn n ASP 135 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jsn n GLY 136 N 0.86 3.20 0.24 6.12 0.00 -0.25 -4.78 105.19 110.58 3jsn n GLY 136 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3jsn n GLY 136 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3jsn n THR 137 N -0.81 1.04 -4.46 2.61 -1.04 -1.26 0.16 114.28 110.52 3jsn n THR 137 Ca 0.00 -0.33 -0.29 0.00 -2.04 0.00 0.00 64.05 61.39 3jsn n THR 137 Cb 0.00 -1.43 -0.17 0.00 -1.82 0.00 0.00 70.33 66.91 3jsn n THR 137 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3jsn s THR 138 N -2.35 1.57 0.52 12.58 2.01 -1.26 -1.13 115.64 127.58 3jsn s THR 138 Ca -0.25 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.07 3jsn s THR 138 Cb 0.08 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 3jsn s THR 138 CO 0.38 0.46 0.00 -0.83 -0.69 0.00 0.00 174.62 173.94 3jsn s GLY 139 N 0.99 3.08 -0.00 4.40 0.00 -0.47 -2.57 107.32 112.75 3jsn s GLY 139 Ca -0.06 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.48 3jsn s GLY 139 CO -0.02 -2.21 0.04 -0.54 0.00 0.00 0.00 173.10 170.37 3jsn s GLU 140 N -3.90 2.92 -0.43 2.90 2.02 -1.26 -1.06 118.70 119.90 3jsn s GLU 140 Ca 0.03 -0.55 -0.24 0.00 0.02 0.00 0.00 54.97 54.23 3jsn s GLU 140 Cb 0.01 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.50 3jsn s GLU 140 CO 0.02 0.63 0.82 0.34 0.02 0.00 0.00 175.26 177.08 3jsn s ASP 141 N -1.67 6.46 -0.24 -0.19 -1.08 -0.01 -1.47 116.67 118.47 3jsn s ASP 141 Ca 0.21 0.05 0.12 0.00 -0.52 0.00 0.00 52.55 52.41 3jsn s ASP 141 Cb -0.12 -2.40 0.45 0.00 -1.46 0.00 0.00 42.92 39.39 3jsn s ASP 141 CO 0.12 -0.90 1.19 2.30 0.52 0.00 0.00 175.17 178.40 3jsn n ILE 142 N 6.12 2.07 -0.07 4.11 -5.35 -0.45 -1.94 119.36 123.85 3jsn n ILE 142 Ca 0.03 -3.52 -0.08 0.00 -0.27 0.00 0.00 62.75 58.91 3jsn n ILE 142 Cb 0.48 -0.39 -0.02 0.00 -1.74 0.00 0.00 39.64 37.98 3jsn n ILE 142 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3jsn h THR 143 N 2.68 0.30 -0.61 7.28 2.02 -1.84 -1.56 112.91 121.18 3jsn h THR 143 Ca 0.15 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.42 3jsn h THR 143 Cb 1.38 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3jsn h THR 143 CO 0.41 0.00 0.41 -0.33 0.37 0.00 0.00 175.52 176.38 3jsn h GLU 144 N -0.28 0.45 -0.14 6.66 3.07 -1.91 -1.41 114.58 121.03 3jsn h GLU 144 Ca 0.15 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 3jsn h GLU 144 Cb 0.51 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3jsn h GLU 144 CO -0.45 0.30 -0.35 -0.91 -1.40 0.00 0.00 179.01 176.20 3jsn h ASN 145 N 0.47 0.54 0.35 1.42 2.35 -1.64 -3.16 115.58 115.92 3jsn h ASN 145 Ca 0.28 -0.58 -0.08 0.00 -0.55 0.00 0.00 56.30 55.37 3jsn h ASN 145 Cb 0.48 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3jsn h ASN 145 CO -0.08 1.03 -0.36 -0.07 -1.65 0.00 0.00 177.43 176.30 3jsn h LEU 146 N 0.09 0.01 -1.73 1.61 3.38 -0.66 -2.19 115.31 115.82 3jsn h LEU 146 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jsn h LEU 146 Cb 0.96 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3jsn h LEU 146 CO 0.08 0.36 0.00 0.11 0.09 0.00 0.00 178.44 179.08 3jsn h LYS 147 N 0.00 0.00 -0.00 1.13 1.57 -1.24 -1.43 116.57 116.60 3jsn h LYS 147 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3jsn h LYS 147 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3jsn h LYS 147 CO 0.05 0.00 -0.00 0.25 -0.57 0.00 0.00 179.45 179.17 3jsn n THR 148 N -2.57 0.00 -3.16 -0.16 -2.24 -0.82 -4.17 114.28 101.16 3jsn n THR 148 Ca -0.01 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3jsn n THR 148 Cb 0.11 -0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 3jsn n THR 148 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3jsn s ILE 149 N -2.04 4.90 0.51 2.28 1.01 -0.54 -4.87 121.20 122.46 3jsn s ILE 149 Ca 0.45 0.20 0.22 0.00 0.00 0.00 0.00 60.65 61.52 3jsn s ILE 149 Cb 0.22 -4.12 0.36 0.00 0.01 0.00 0.00 42.46 38.93 3jsn s ILE 149 CO 0.37 -0.45 2.02 0.45 0.00 0.00 0.00 174.94 177.33 3jsn h HIS 150 N 8.70 0.07 0.00 3.97 3.86 -1.84 -1.16 115.15 128.75 3jsn h HIS 150 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 3jsn h HIS 150 Cb 1.11 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.55 3jsn h HIS 150 CO 0.72 0.03 0.00 0.00 0.86 0.00 0.00 177.93 179.54 3jsn n ALA 151 N -2.60 2.05 -2.60 2.45 0.00 -1.26 -4.51 120.51 114.03 3jsn n ALA 151 Ca 0.07 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 3jsn n ALA 151 Cb 0.47 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 3jsn n ALA 151 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3jsn s ILE 152 N -3.03 4.84 0.18 0.00 1.01 -0.44 -4.23 121.20 119.54 3jsn s ILE 152 Ca 0.11 0.94 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 3jsn s ILE 152 Cb 0.14 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 3jsn s ILE 152 CO 0.43 -0.25 1.06 -2.16 0.00 0.00 0.00 174.94 174.02 3jsn s PRO 153 N 2.83 4.65 0.32 2.79 0.04 -1.26 -4.91 135.00 139.45 3jsn s PRO 153 Ca 0.29 1.65 0.17 0.00 0.04 0.00 0.00 61.00 63.15 3jsn s PRO 153 Cb -0.14 -3.29 0.27 0.00 0.04 0.00 0.00 34.50 31.38 3jsn s PRO 153 CO 0.13 0.16 1.54 -0.07 0.04 0.00 0.00 177.00 178.81 3jsn h LEU 154 N 4.96 0.00 -7.73 -3.56 3.38 -1.93 -3.43 115.31 107.01 3jsn h LEU 154 Ca -0.44 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.17 3jsn h LEU 154 Cb 1.21 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.64 3jsn h LEU 154 CO 0.71 0.44 -0.76 -0.75 0.09 0.00 0.00 178.44 178.18 3jsn s LYS 155 N -3.15 0.48 0.80 1.13 2.20 -1.26 -1.26 119.74 118.69 3jsn s LYS 155 Ca 0.03 -0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.47 3jsn s LYS 155 Cb 0.08 -0.56 0.07 0.00 -1.51 0.00 0.00 37.83 35.92 3jsn s LYS 155 CO 0.72 -0.05 1.16 -1.64 -0.36 0.00 0.00 175.35 175.18 3jsn s MET 156 N 0.67 2.06 0.00 4.03 -1.94 0.56 -4.99 119.30 119.69 3jsn s MET 156 Ca -0.08 0.22 0.28 0.00 -1.71 0.00 0.00 55.69 54.41 3jsn s MET 156 Cb -0.11 -1.95 1.12 0.00 2.01 0.00 0.00 34.83 35.90 3jsn s MET 156 CO -0.01 -1.55 1.84 1.63 -0.01 0.00 0.00 175.02 176.92 3jsn n LYS 157 N -3.31 0.08 -4.18 2.03 5.02 -0.58 -4.72 118.16 112.50 3jsn n LYS 157 Ca 0.08 -0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.17 3jsn n LYS 157 Cb 0.60 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 3jsn n LYS 157 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3jsn s GLU 158 N -2.93 0.85 -1.48 1.97 0.41 -1.26 -5.06 118.70 111.19 3jsn s GLU 158 Ca 0.16 -1.01 -0.08 0.00 -0.41 0.00 0.00 54.97 53.63 3jsn s GLU 158 Cb 0.19 -0.81 0.01 0.00 -1.78 0.00 0.00 34.13 31.74 3jsn s GLU 158 CO 0.55 0.17 2.69 -0.35 -0.49 0.00 0.00 175.26 177.83 3jsn n PRO 159 N 1.12 4.11 -1.89 0.39 -0.04 -1.26 -4.29 135.00 133.13 3jsn n PRO 159 Ca -0.20 -2.79 -0.31 0.00 -0.04 0.00 0.00 63.50 60.16 3jsn n PRO 159 Cb 0.55 -2.73 0.02 0.00 -0.04 0.00 0.00 33.50 31.29 3jsn n PRO 159 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3jsn s LEU 160 N -0.87 3.19 -0.35 1.53 1.43 -1.26 -3.60 118.68 118.74 3jsn s LEU 160 Ca 0.62 1.36 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 3jsn s LEU 160 Cb 0.18 -4.37 0.10 0.00 0.03 0.00 0.00 46.19 42.13 3jsn s LEU 160 CO -0.08 -0.94 0.07 0.20 0.23 0.00 0.00 176.35 175.84 3jsn s ASN 161 N -4.21 4.85 0.13 2.29 0.01 -1.26 -0.15 114.94 116.61 3jsn s ASN 161 Ca 0.55 -2.12 -0.15 0.00 -0.71 0.00 0.00 52.86 50.44 3jsn s ASN 161 Cb -0.11 -1.66 0.03 0.00 0.41 0.00 0.00 41.25 39.91 3jsn s ASN 161 CO 0.53 -0.40 0.38 0.68 -1.51 0.00 0.00 177.10 176.78 3jsn s VAL 162 N 0.95 0.08 -0.21 1.60 -7.23 -0.56 -5.01 120.40 110.01 3jsn s VAL 162 Ca 0.10 -0.68 -0.05 0.00 -1.81 0.00 0.00 61.98 59.54 3jsn s VAL 162 Cb -0.20 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 3jsn s VAL 162 CO -0.07 -0.34 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.75 3jsn s GLU 163 N -3.82 3.49 -0.05 4.82 2.02 -1.26 -0.83 118.70 123.07 3jsn s GLU 163 Ca 0.04 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 3jsn s GLU 163 Cb 0.02 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 3jsn s GLU 163 CO -0.11 -0.12 0.08 0.14 0.02 0.00 0.00 175.26 175.27 3jsn s VAL 164 N 1.31 4.84 -0.13 2.63 -7.23 0.72 -0.79 120.40 121.74 3jsn s VAL 164 Ca 0.04 -0.23 -0.02 0.00 -1.81 0.00 0.00 61.98 59.96 3jsn s VAL 164 Cb -0.14 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.61 3jsn s VAL 164 CO -0.00 0.46 -0.07 -0.13 -0.31 0.00 0.00 175.10 175.05 3jsn s ARG 165 N -1.41 3.42 0.34 4.82 3.00 0.16 -0.08 118.95 129.20 3jsn s ARG 165 Ca 0.19 -0.56 0.05 0.00 0.00 0.00 0.00 55.73 55.41 3jsn s ARG 165 Cb -0.12 -2.78 -0.02 0.00 0.00 0.00 0.00 34.95 32.03 3jsn s ARG 165 CO 0.09 0.32 0.34 0.20 0.00 0.00 0.00 175.30 176.26 3jsn s GLY 166 N 0.12 2.14 -0.09 -3.53 0.00 -0.61 -0.33 107.32 105.01 3jsn s GLY 166 Ca -0.02 -1.94 0.01 0.00 0.00 0.00 0.00 44.72 42.77 3jsn s GLY 166 CO 0.03 -1.35 -0.11 -0.54 0.00 0.00 0.00 173.10 171.14 3jsn s GLU 167 N -3.29 1.72 0.11 2.90 0.41 -0.27 -1.20 118.70 119.09 3jsn s GLU 167 Ca 0.38 -0.38 -0.19 0.00 -0.41 0.00 0.00 54.97 54.37 3jsn s GLU 167 Cb 0.01 -1.56 -0.07 0.00 -1.78 0.00 0.00 34.13 30.74 3jsn s GLU 167 CO 0.26 -0.10 0.60 0.00 -0.49 0.00 0.00 175.26 175.54 3jsn s ALA 168 N 1.11 3.56 0.08 5.21 0.00 0.76 -1.80 121.76 130.68 3jsn s ALA 168 Ca -0.06 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 3jsn s ALA 168 Cb -0.14 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 3jsn s ALA 168 CO -0.02 0.39 0.10 1.52 0.00 0.00 0.00 175.76 177.75 3jsn s TYR 169 N -1.20 0.34 -0.16 0.00 -0.85 -0.37 -0.38 117.35 114.73 3jsn s TYR 169 Ca 0.32 -0.81 -0.04 0.00 -0.52 0.00 0.00 57.07 56.02 3jsn s TYR 169 Cb -0.19 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.92 3jsn s TYR 169 CO 0.20 -0.49 -0.03 1.41 -1.52 0.00 0.00 175.55 175.12 3jsn s MET 170 N -3.90 3.68 0.53 -3.49 -2.45 -1.26 -1.63 119.30 110.79 3jsn s MET 170 Ca 0.07 -0.51 -0.21 0.00 -1.25 0.00 0.00 55.69 53.79 3jsn s MET 170 Cb 0.06 -2.93 -0.07 0.00 1.25 0.00 0.00 34.83 33.15 3jsn s MET 170 CO -0.09 0.23 1.06 -2.30 1.05 0.00 0.00 175.02 174.97 3jsn n PRO 171 N 3.56 1.22 -0.25 4.11 -0.02 -1.26 -4.72 135.00 137.64 3jsn n PRO 171 Ca -0.17 0.45 0.05 0.00 -2.02 0.00 0.00 63.50 61.81 3jsn n PRO 171 Cb 0.52 -2.22 0.29 0.00 -0.02 0.00 0.00 33.50 32.08 3jsn n PRO 171 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3jsn h ARG 172 N 1.02 0.88 -0.70 -0.52 2.43 -1.15 -1.51 114.38 114.82 3jsn h ARG 172 Ca -0.48 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 3jsn h ARG 172 Cb 1.34 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3jsn h ARG 172 CO 0.54 0.58 0.25 -0.09 -1.51 0.00 0.00 179.97 179.74 3jsn h ARG 173 N 0.91 1.05 0.06 0.20 9.65 -1.89 -1.20 114.38 123.17 3jsn h ARG 173 Ca 0.35 -0.20 -0.25 0.00 -1.10 0.00 0.00 59.98 58.79 3jsn h ARG 173 Cb 0.22 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3jsn h ARG 173 CO -0.12 0.88 -1.08 0.77 2.80 0.00 0.00 179.97 183.21 3jsn h SER 174 N 1.02 0.46 -0.65 -3.80 0.02 -1.66 -2.74 113.55 106.21 3jsn h SER 174 Ca 0.23 -0.43 0.11 0.00 -0.84 0.00 0.00 61.79 60.87 3jsn h SER 174 Cb 0.24 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.55 3jsn h SER 174 CO -0.02 1.27 0.24 0.15 -1.14 0.00 0.00 176.83 177.33 3jsn h PHE 175 N 0.15 0.41 -0.64 3.45 3.57 -0.82 -1.31 116.94 121.75 3jsn h PHE 175 Ca -0.10 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 3jsn h PHE 175 Cb 1.75 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.38 3jsn h PHE 175 CO 0.06 0.08 0.21 -0.07 -2.23 0.00 0.00 178.31 176.35 3jsn h LEU 176 N 0.40 0.93 -1.03 0.59 3.38 -1.20 0.11 115.31 118.49 3jsn h LEU 176 Ca 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3jsn h LEU 176 Cb 0.46 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3jsn h LEU 176 CO -0.35 0.88 0.47 -0.09 0.09 0.00 0.00 178.44 179.45 3jsn h ARG 177 N 0.92 1.15 -0.16 1.13 2.43 -1.16 0.67 114.38 119.35 3jsn h ARG 177 Ca 0.21 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3jsn h ARG 177 Cb 0.28 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3jsn h ARG 177 CO -0.01 0.83 0.04 1.25 -1.51 0.00 0.00 179.97 180.57 3jsn h LEU 178 N 1.16 0.24 -1.35 3.80 5.85 -0.87 -2.78 115.31 121.36 3jsn h LEU 178 Ca 0.30 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3jsn h LEU 178 Cb 0.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3jsn h LEU 178 CO -0.05 0.41 0.19 0.78 -0.34 0.00 0.00 178.44 179.42 3jsn h ASN 179 N 0.07 0.57 -0.84 1.25 -0.26 -0.56 -1.83 115.58 113.97 3jsn h ASN 179 Ca 0.05 -0.06 0.16 0.00 -0.56 0.00 0.00 56.30 55.89 3jsn h ASN 179 Cb 0.26 -0.14 -0.10 0.00 -1.06 0.00 0.00 38.32 37.27 3jsn h ASN 179 CO 0.00 0.51 0.40 -0.08 -1.06 0.00 0.00 177.43 177.20 3jsn h GLU 180 N 0.63 0.53 -0.09 0.81 4.81 -0.67 0.93 114.58 121.53 3jsn h GLU 180 Ca 0.15 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.18 3jsn h GLU 180 Cb 0.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3jsn h GLU 180 CO -0.02 0.35 -0.70 0.93 -0.73 0.00 0.00 179.01 178.85 3jsn h GLU 181 N 0.55 0.40 -0.06 1.92 5.08 -1.09 -1.76 114.58 119.62 3jsn h GLU 181 Ca 0.47 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3jsn h GLU 181 Cb 0.72 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3jsn h GLU 181 CO -0.40 0.95 -0.02 0.87 -1.00 0.00 0.00 179.01 179.41 3jsn h LYS 182 N 0.28 0.12 -0.75 2.33 1.57 -0.78 -2.47 116.57 116.87 3jsn h LYS 182 Ca -0.02 -0.05 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 3jsn h LYS 182 Cb 1.26 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.43 3jsn h LYS 182 CO 0.12 0.47 0.01 1.49 -0.57 0.00 0.00 179.45 180.98 3jsn h GLU 183 N -0.24 0.10 -0.12 3.15 4.57 0.98 0.44 114.58 123.47 3jsn h GLU 183 Ca 0.01 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3jsn h GLU 183 Cb 0.43 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 3jsn h GLU 183 CO 0.01 0.07 -0.20 0.87 -1.18 0.00 0.00 179.01 178.58 3jsn h LYS 184 N 0.11 0.21 -0.42 1.92 1.57 -1.30 -2.16 116.57 116.50 3jsn h LYS 184 Ca 0.41 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3jsn h LYS 184 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3jsn h LYS 184 CO -0.66 0.40 0.00 0.09 -0.57 0.00 0.00 179.45 178.72 3jsn n ASN 185 N -4.22 2.58 -4.30 0.86 3.02 0.18 -4.94 115.26 108.43 3jsn n ASN 185 Ca -0.01 -1.94 -0.32 0.00 -0.03 0.00 0.00 54.58 52.28 3jsn n ASN 185 Cb 0.31 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 3jsn n ASN 185 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3jsn n ASP 186 N 0.91 0.60 -4.75 6.41 8.00 0.13 -4.97 116.55 122.88 3jsn n ASP 186 Ca 0.17 -1.25 -0.23 0.00 0.71 0.00 0.00 54.79 54.19 3jsn n ASP 186 Cb 0.43 -1.56 0.10 0.00 -0.02 0.00 0.00 41.12 40.07 3jsn n ASP 186 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3jsn s GLU 187 N -7.27 1.77 0.16 -1.24 2.02 -0.70 -5.02 118.70 108.42 3jsn s GLU 187 Ca 0.10 -1.29 -0.30 0.00 0.02 0.00 0.00 54.97 53.50 3jsn s GLU 187 Cb -0.06 -2.40 -0.07 0.00 0.10 0.00 0.00 34.13 31.69 3jsn s GLU 187 CO 0.98 -1.35 1.13 -1.14 0.02 0.00 0.00 175.26 174.90 3jsn s GLN 188 N -5.04 4.55 0.43 1.61 0.74 -1.26 -4.67 119.66 116.02 3jsn s GLN 188 Ca 0.66 1.75 -0.11 0.00 0.05 0.00 0.00 55.36 57.71 3jsn s GLN 188 Cb -0.05 -3.28 -0.06 0.00 1.10 0.00 0.00 33.01 30.72 3jsn s GLN 188 CO 0.43 -0.01 0.81 -0.51 -0.55 0.00 0.00 175.29 175.46 3jsn s LEU 189 N -0.12 3.77 0.27 3.68 1.43 -1.26 -4.98 118.68 121.46 3jsn s LEU 189 Ca 0.51 1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 54.51 3jsn s LEU 189 Cb -0.30 -4.09 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 3jsn s LEU 189 CO 0.34 -0.45 1.20 -0.36 0.23 0.00 0.00 176.35 177.32 3jsn s PHE 190 N -2.46 3.36 0.24 0.29 0.08 -1.26 -4.90 117.98 113.32 3jsn s PHE 190 Ca 0.52 1.50 0.16 0.00 0.12 0.00 0.00 56.93 59.23 3jsn s PHE 190 Cb -0.10 -3.47 0.62 0.00 -0.57 0.00 0.00 43.02 39.50 3jsn s PHE 190 CO 0.33 -1.22 1.72 0.00 -0.10 0.00 0.00 175.22 175.95 3jsn h ALA 191 N 4.16 1.05 -2.73 5.36 0.00 -1.96 -3.47 119.26 121.68 3jsn h ALA 191 Ca -0.47 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.13 3jsn h ALA 191 Cb 1.22 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3jsn h ALA 191 CO 0.69 0.55 0.38 0.54 0.00 0.00 0.00 179.25 181.41 3jsn s ASN 192 N -6.62 -0.11 0.25 0.00 2.20 -1.26 -5.04 114.94 104.36 3jsn s ASN 192 Ca -0.01 -0.73 -0.03 0.00 -0.94 0.00 0.00 52.86 51.15 3jsn s ASN 192 Cb 0.12 0.66 0.30 0.00 -2.00 0.00 0.00 41.25 40.33 3jsn s ASN 192 CO 0.71 -1.26 1.77 -0.65 -2.94 0.00 0.00 177.10 174.73 3jsn h PRO 193 N 2.00 0.90 -0.60 3.55 0.11 -1.90 -1.84 132.00 134.23 3jsn h PRO 193 Ca -0.26 -0.22 0.12 0.00 0.11 0.00 0.00 66.00 65.76 3jsn h PRO 193 Cb 1.24 -0.12 -0.12 0.00 0.11 0.00 0.00 31.00 32.11 3jsn h PRO 193 CO 0.31 0.84 -0.19 -0.09 -0.21 0.00 0.00 178.00 178.67 3jsn h ARG 194 N 0.85 -0.04 -0.04 1.05 2.43 -1.90 0.01 114.38 116.75 3jsn h ARG 194 Ca 0.18 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 3jsn h ARG 194 Cb 0.38 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3jsn h ARG 194 CO 0.01 -0.02 -0.43 -0.91 -1.51 0.00 0.00 179.97 177.11 3jsn h ASN 195 N -0.04 0.08 -0.52 -3.80 4.21 -1.72 -1.28 115.58 112.51 3jsn h ASN 195 Ca 0.28 -0.03 -0.10 0.00 1.21 0.00 0.00 56.30 57.66 3jsn h ASN 195 Cb 0.47 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 3jsn h ASN 195 CO -0.64 0.50 -0.05 0.00 -1.29 0.00 0.00 177.43 175.96 3jsn h ALA 196 N 1.50 0.71 0.04 -0.83 0.00 -0.67 0.97 119.26 120.97 3jsn h ALA 196 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3jsn h ALA 196 Cb 0.79 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3jsn h ALA 196 CO 0.06 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 3jsn h ALA 197 N 0.93 -0.05 -0.42 0.00 0.00 -0.62 -0.59 119.26 118.52 3jsn h ALA 197 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3jsn h ALA 197 Cb 0.59 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3jsn h ALA 197 CO 0.04 -0.48 0.19 0.00 0.00 0.00 0.00 179.25 179.00 3jsn h ALA 198 N 0.81 0.54 -0.78 0.00 0.00 -1.21 0.10 119.26 118.71 3jsn h ALA 198 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3jsn h ALA 198 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3jsn h ALA 198 CO 0.01 0.11 0.52 0.78 0.00 0.00 0.00 179.25 180.67 3jsn h GLY 199 N 0.53 1.10 1.66 0.00 0.00 -0.79 -1.49 103.07 104.08 3jsn h GLY 199 Ca 0.14 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 3jsn h GLY 199 CO -0.02 0.39 -0.47 1.76 0.00 0.00 0.00 176.54 178.21 3jsn h SER 200 N 1.05 0.40 1.67 0.19 0.02 -0.46 -3.14 113.55 113.28 3jsn h SER 200 Ca 0.29 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3jsn h SER 200 Cb -0.11 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.32 3jsn h SER 200 CO -0.07 0.81 0.00 -0.07 -1.14 0.00 0.00 176.83 176.37 3jsn h LEU 201 N 0.30 0.00 -3.94 5.07 3.38 -0.50 -3.24 115.31 116.38 3jsn h LEU 201 Ca 0.02 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.48 3jsn h LEU 201 Cb 0.94 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.40 3jsn h LEU 201 CO 0.08 0.00 0.60 0.54 0.09 0.00 0.00 178.44 179.75 3jsn n ARG 202 N -2.95 2.25 -2.73 1.13 1.74 -0.59 -4.83 116.66 110.69 3jsn n ARG 202 Ca 0.03 -3.06 -0.38 0.00 -0.77 0.00 0.00 57.85 53.68 3jsn n ARG 202 Cb 0.46 -2.16 -0.06 0.00 -1.02 0.00 0.00 32.46 29.68 3jsn n ARG 202 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3jsn s GLN 203 N -3.34 4.66 0.37 5.56 -1.52 -1.22 -4.95 119.66 119.22 3jsn s GLN 203 Ca 0.57 1.44 0.20 0.00 -1.95 0.00 0.00 55.36 55.61 3jsn s GLN 203 Cb 0.48 -2.98 0.61 0.00 -0.22 0.00 0.00 33.01 30.90 3jsn s GLN 203 CO 0.09 0.33 1.70 -0.07 -0.25 0.00 0.00 175.29 177.09 3jsn h LEU 204 N 3.53 0.00 -8.29 2.90 3.38 -1.94 -3.39 115.31 111.49 3jsn h LEU 204 Ca -0.46 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.81 3jsn h LEU 204 Cb 1.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 3jsn h LEU 204 CO 0.66 0.35 -0.00 -0.62 0.09 0.00 0.00 178.44 178.92 3jsn s ASP 205 N -6.37 6.20 0.31 -0.43 -1.08 -1.26 -3.89 116.67 110.15 3jsn s ASP 205 Ca 0.01 -1.17 0.22 0.00 -0.52 0.00 0.00 52.55 51.09 3jsn s ASP 205 Cb 0.10 -2.27 1.13 0.00 -1.46 0.00 0.00 42.92 40.42 3jsn s ASP 205 CO 0.68 -0.92 1.67 -1.54 0.52 0.00 0.00 175.17 175.59 3jsn n SER 206 N 6.02 0.59 0.18 -0.34 3.41 -1.26 -1.06 113.62 121.15 3jsn n SER 206 Ca -0.09 0.74 0.03 0.00 -0.26 0.00 0.00 58.87 59.29 3jsn n SER 206 Cb 0.44 -0.83 0.38 0.00 -0.26 0.00 0.00 64.21 63.94 3jsn n SER 206 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3jsn h LYS 207 N 0.00 0.06 -0.17 4.33 1.57 -1.79 -0.79 116.57 119.78 3jsn h LYS 207 Ca 0.00 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.54 3jsn h LYS 207 Cb 0.08 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.40 3jsn h LYS 207 CO 0.00 0.35 -0.76 1.25 -0.57 0.00 0.00 179.45 179.72 3jsn h LEU 208 N 0.05 0.95 -0.50 2.94 6.46 -1.44 -3.08 115.31 120.70 3jsn h LEU 208 Ca 0.01 -0.62 0.03 0.00 -0.12 0.00 0.00 57.88 57.18 3jsn h LEU 208 Cb 0.55 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 3jsn h LEU 208 CO 0.04 1.42 0.28 0.74 -0.62 0.00 0.00 178.44 180.30 3jsn h THR 209 N 0.55 1.02 -0.92 1.05 2.02 -1.41 -2.44 112.91 112.78 3jsn h THR 209 Ca -0.05 -0.19 0.18 0.00 0.77 0.00 0.00 66.41 67.12 3jsn h THR 209 Cb 1.38 0.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 3jsn h THR 209 CO 0.16 0.10 0.59 0.00 0.37 0.00 0.00 175.52 176.74 3jsn h ALA 210 N 1.24 1.98 -0.01 6.16 0.00 -1.08 -0.82 119.26 126.73 3jsn h ALA 210 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3jsn h ALA 210 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3jsn h ALA 210 CO -0.11 -0.27 0.00 0.36 0.00 0.00 0.00 179.25 179.23 3jsn n LYS 211 N -4.58 1.17 -3.76 0.00 2.85 -0.92 -4.80 118.16 108.12 3jsn n LYS 211 Ca 0.19 -0.25 -0.24 0.00 -1.05 0.00 0.00 58.31 56.97 3jsn n LYS 211 Cb 0.60 -1.45 -0.02 0.00 -0.65 0.00 0.00 35.03 33.51 3jsn n LYS 211 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3jsn s ARG 212 N -1.99 3.47 -0.51 -1.58 1.81 -0.31 -5.06 118.95 114.78 3jsn s ARG 212 Ca 0.41 -0.54 -0.17 0.00 -1.72 0.00 0.00 55.73 53.71 3jsn s ARG 212 Cb 0.20 -2.83 0.08 0.00 -0.45 0.00 0.00 34.95 31.95 3jsn s ARG 212 CO 0.32 0.36 0.52 0.15 -0.68 0.00 0.00 175.30 175.98 3jsn s LYS 213 N -3.83 3.03 0.07 3.54 3.01 -1.26 -5.02 119.74 119.27 3jsn s LYS 213 Ca 0.37 -1.28 0.06 0.00 -1.01 0.00 0.00 55.97 54.11 3jsn s LYS 213 Cb -0.10 -4.17 -0.03 0.00 -1.01 0.00 0.00 37.83 32.52 3jsn s LYS 213 CO 0.31 -1.20 -0.16 -0.51 0.51 0.00 0.00 175.35 174.29 3jsn s LEU 214 N 2.05 2.25 0.00 3.17 1.43 -1.26 -4.22 118.68 122.10 3jsn s LEU 214 Ca 0.08 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3jsn s LEU 214 Cb -0.24 -0.67 -0.00 0.00 0.03 0.00 0.00 46.19 45.31 3jsn s LEU 214 CO 0.07 0.00 0.07 -0.24 0.23 0.00 0.00 176.35 176.49 3jsn n SER 215 N 1.40 -0.20 -3.77 2.29 2.88 -0.64 -4.67 113.62 110.91 3jsn n SER 215 Ca -0.20 -1.42 -0.13 0.00 -1.33 0.00 0.00 58.87 55.79 3jsn n SER 215 Cb 0.54 0.41 -0.09 0.00 -0.75 0.00 0.00 64.21 64.31 3jsn n SER 215 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3jsn s VAL 216 N -2.36 0.04 -0.10 2.46 0.11 -1.26 -1.24 120.40 118.05 3jsn s VAL 216 Ca 0.07 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 3jsn s VAL 216 Cb 0.00 -0.55 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3jsn s VAL 216 CO 0.05 -0.19 -0.22 -0.36 -3.33 0.00 0.00 175.10 171.05 3jsn s PHE 217 N -0.87 2.59 -0.05 1.54 0.08 -0.74 -4.73 117.98 115.80 3jsn s PHE 217 Ca -0.09 -0.90 -0.19 0.00 0.12 0.00 0.00 56.93 55.86 3jsn s PHE 217 Cb -0.04 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 3jsn s PHE 217 CO 0.03 -0.33 0.54 0.42 -0.10 0.00 0.00 175.22 175.77 3jsn s ILE 218 N 0.23 5.03 0.00 0.64 -1.09 0.29 -1.11 121.20 125.19 3jsn s ILE 218 Ca -0.14 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3jsn s ILE 218 Cb -0.17 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 3jsn s ILE 218 CO 0.07 0.39 0.00 0.00 -1.23 0.00 0.00 174.94 174.18 3jsn n TYR 219 N 3.02 0.00 -3.79 3.97 0.18 0.55 -4.51 117.16 116.58 3jsn n TYR 219 Ca -0.07 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.68 3jsn n TYR 219 Cb 0.51 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.49 3jsn n TYR 219 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3jsn n SER 220 N -1.04 -1.40 -4.12 9.48 2.88 -1.10 -4.97 113.62 113.35 3jsn n SER 220 Ca 0.00 -1.76 -0.11 0.00 -1.33 0.00 0.00 58.87 55.67 3jsn n SER 220 Cb 0.00 2.29 -0.11 0.00 -0.75 0.00 0.00 64.21 65.64 3jsn n SER 220 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3jsn s VAL 221 N -2.18 0.57 0.30 2.46 -7.23 -1.26 -0.67 120.40 112.40 3jsn s VAL 221 Ca 0.18 -1.57 0.15 0.00 -1.81 0.00 0.00 61.98 58.93 3jsn s VAL 221 Cb -0.02 -1.22 0.10 0.00 0.56 0.00 0.00 36.38 35.80 3jsn s VAL 221 CO 0.05 -0.69 1.78 -0.55 -0.31 0.00 0.00 175.10 175.38 3jsn h ASN 222 N 3.61 0.00 -2.80 4.85 -0.00 -1.35 -3.45 115.58 116.45 3jsn h ASN 222 Ca -0.35 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 55.77 3jsn h ASN 222 Cb 1.18 0.00 -0.31 0.00 -0.00 0.00 0.00 38.32 39.19 3jsn h ASN 222 CO 0.55 0.40 -0.47 -0.62 -0.00 0.00 0.00 177.43 177.29 3jsn s ASP 223 N -6.69 0.09 0.00 6.14 2.15 -1.26 -5.03 116.67 112.07 3jsn s ASP 223 Ca -0.02 0.73 0.25 0.00 0.43 0.00 0.00 52.55 53.94 3jsn s ASP 223 Cb 0.13 0.89 0.77 0.00 -0.30 0.00 0.00 42.92 44.41 3jsn s ASP 223 CO 0.71 -0.23 1.58 0.49 -0.17 0.00 0.00 175.17 177.55 3jsn n PHE 224 N 5.25 0.11 -0.25 -5.34 3.01 -1.26 -4.57 117.46 114.41 3jsn n PHE 224 Ca -0.09 -0.05 -0.06 0.00 1.01 0.00 0.00 57.45 58.26 3jsn n PHE 224 Cb 0.50 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.91 3jsn n PHE 224 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3jsn n THR 225 N 0.52 -0.40 1.13 4.37 -1.04 -1.26 -1.46 114.28 116.14 3jsn n THR 225 Ca 0.17 1.64 0.06 0.00 -2.04 0.00 0.00 64.05 63.88 3jsn n THR 225 Cb 0.41 -2.05 0.19 0.00 -1.82 0.00 0.00 70.33 67.06 3jsn n THR 225 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3jsn n ASP 226 N -4.49 1.52 -4.86 8.00 8.00 -1.26 -4.85 116.55 118.61 3jsn n ASP 226 Ca 0.01 -1.92 -0.35 0.00 0.71 0.00 0.00 54.79 53.24 3jsn n ASP 226 Cb 0.15 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 3jsn n ASP 226 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3jsn s PHE 227 N -1.66 3.59 -0.26 1.24 0.08 -0.54 -4.99 117.98 115.45 3jsn s PHE 227 Ca 0.22 0.87 0.28 0.00 0.12 0.00 0.00 56.93 58.43 3jsn s PHE 227 Cb 0.12 -2.23 0.92 0.00 -0.57 0.00 0.00 43.02 41.26 3jsn s PHE 227 CO 0.16 0.49 1.80 -0.91 -0.10 0.00 0.00 175.22 176.66 3jsn h ASN 228 N 3.65 0.00 -2.77 1.36 2.35 -1.89 -3.47 115.58 114.81 3jsn h ASN 228 Ca -0.49 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.67 3jsn h ASN 228 Cb 1.19 0.00 0.10 0.00 0.05 0.00 0.00 38.32 39.66 3jsn h ASN 228 CO 0.66 0.00 0.38 0.00 -1.65 0.00 0.00 177.43 176.82 3jsn n ALA 229 N -2.01 0.55 0.61 -0.83 0.00 -1.26 -4.93 120.51 112.64 3jsn n ALA 229 Ca 0.02 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.92 3jsn n ALA 229 Cb 0.38 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 3jsn n ALA 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jsn n ARG 230 N 1.02 2.32 -4.11 0.00 5.12 -1.26 -4.93 116.66 114.83 3jsn n ARG 230 Ca 0.09 -0.32 -0.10 0.00 -1.93 0.00 0.00 57.85 55.59 3jsn n ARG 230 Cb 0.33 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.38 3jsn n ARG 230 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3jsn s SER 231 N -1.99 0.25 0.19 0.55 1.04 -1.26 -1.39 113.70 111.09 3jsn s SER 231 Ca 0.08 -1.13 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 3jsn s SER 231 Cb 0.10 0.32 0.11 0.00 0.10 0.00 0.00 66.02 66.66 3jsn s SER 231 CO 0.45 -0.76 1.82 -0.61 0.98 0.00 0.00 173.24 175.12 3jsn h GLN 232 N 2.80 0.90 -0.54 4.02 5.75 0.05 -0.10 115.11 128.00 3jsn h GLN 232 Ca -0.34 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.02 3jsn h GLN 232 Cb 1.20 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 3jsn h GLN 232 CO 0.57 0.65 0.15 0.66 -2.65 0.00 0.00 178.83 178.21 3jsn h SER 233 N 0.90 0.80 -0.22 -0.69 4.64 -1.96 -0.08 113.55 116.94 3jsn h SER 233 Ca 0.24 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 3jsn h SER 233 Cb -0.01 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3jsn h SER 233 CO -0.04 0.81 -0.12 -0.08 -0.87 0.00 0.00 176.83 176.53 3jsn h GLU 234 N 0.75 0.61 -0.22 4.77 4.81 -1.88 -2.07 114.58 121.36 3jsn h GLU 234 Ca 0.17 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 3jsn h GLU 234 Cb 0.31 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3jsn h GLU 234 CO -0.00 0.71 -0.31 0.00 -0.73 0.00 0.00 179.01 178.68 3jsn h ALA 235 N 1.32 1.07 -0.45 2.92 0.00 -0.23 -0.43 119.26 123.45 3jsn h ALA 235 Ca 0.10 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3jsn h ALA 235 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3jsn h ALA 235 CO 0.03 0.58 -0.12 -0.07 0.00 0.00 0.00 179.25 179.66 3jsn h LEU 236 N 0.38 0.83 -0.89 0.00 4.07 -0.54 -0.65 115.31 118.51 3jsn h LEU 236 Ca 0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 3jsn h LEU 236 Cb 0.73 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 3jsn h LEU 236 CO 0.06 0.97 0.52 0.44 -1.08 0.00 0.00 178.44 179.35 3jsn h ASP 237 N 0.75 1.08 -0.84 -0.43 3.32 -0.85 -2.15 116.42 117.30 3jsn h ASP 237 Ca 0.12 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3jsn h ASP 237 Cb 0.63 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3jsn h ASP 237 CO 0.04 0.84 0.43 -0.08 -1.72 0.00 0.00 179.24 178.75 3jsn h GLU 238 N 1.23 1.19 -0.59 3.56 4.81 -0.64 -1.81 114.58 122.33 3jsn h GLU 238 Ca 0.32 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3jsn h GLU 238 Cb -0.03 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 3jsn h GLU 238 CO -0.06 0.90 0.37 -0.07 -0.73 0.00 0.00 179.01 179.42 3jsn h LEU 239 N 1.18 0.69 -0.19 1.64 3.38 -0.87 -0.05 115.31 121.10 3jsn h LEU 239 Ca 0.29 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.26 3jsn h LEU 239 Cb 0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3jsn h LEU 239 CO -0.04 0.53 -0.08 0.44 0.09 0.00 0.00 178.44 179.38 3jsn h ASP 240 N 0.80 -0.27 -0.89 -0.43 3.32 -0.84 -1.84 116.42 116.27 3jsn h ASP 240 Ca 0.21 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.38 3jsn h ASP 240 Cb -0.05 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3jsn h ASP 240 CO -0.04 -0.10 0.58 0.11 -1.72 0.00 0.00 179.24 178.06 3jsn h LYS 241 N -0.05 1.03 0.00 3.56 1.79 -1.04 -1.46 116.57 120.41 3jsn h LYS 241 Ca 0.10 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3jsn h LYS 241 Cb 0.20 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3jsn h LYS 241 CO -0.22 0.68 0.00 1.28 -1.08 0.00 0.00 179.45 180.11 3jsn n LEU 242 N -4.46 0.08 0.00 2.94 4.77 -0.06 -4.80 117.00 115.47 3jsn n LEU 242 Ca 0.12 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3jsn n LEU 242 Cb 0.14 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3jsn n LEU 242 CO 0.34 -0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3jsn n GLY 243 N -0.06 0.98 3.95 -0.72 0.00 -0.55 -1.52 105.19 107.27 3jsn n GLY 243 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 3jsn n GLY 243 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jsn s PHE 244 N -2.00 3.32 -0.31 1.61 0.08 -0.73 -4.54 117.98 115.40 3jsn s PHE 244 Ca 0.00 0.27 -0.13 0.00 0.12 0.00 0.00 56.93 57.19 3jsn s PHE 244 Cb 0.00 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 3jsn s PHE 244 CO 0.00 -0.19 0.28 0.99 -0.10 0.00 0.00 175.22 176.20 3jsn s THR 245 N -2.47 5.25 0.40 0.64 2.01 -1.26 -4.26 115.64 115.95 3jsn s THR 245 Ca 0.45 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.60 3jsn s THR 245 Cb -0.10 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 3jsn s THR 245 CO 0.37 0.07 0.03 0.42 -0.69 0.00 0.00 174.62 174.82 3jsn s THR 246 N 1.86 2.08 -0.24 -0.82 -4.23 -1.26 -0.55 115.64 112.48 3jsn s THR 246 Ca 0.09 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.54 3jsn s THR 246 Cb -0.17 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 3jsn s THR 246 CO 0.11 -0.02 0.13 0.21 -0.54 0.00 0.00 174.62 174.50 3jsn s ASN 247 N -3.73 5.77 0.00 3.99 3.84 -1.26 -4.92 114.94 118.63 3jsn s ASN 247 Ca 0.36 0.01 0.17 0.00 0.21 0.00 0.00 52.86 53.60 3jsn s ASN 247 Cb 0.08 -2.04 0.53 0.00 -0.55 0.00 0.00 41.25 39.27 3jsn s ASN 247 CO 0.19 0.04 1.41 0.29 -2.79 0.00 0.00 177.10 176.24 3jsn n LYS 248 N 4.45 1.92 0.00 0.43 4.76 -1.26 -3.13 118.16 125.33 3jsn n LYS 248 Ca -0.15 -1.41 0.10 0.00 -2.87 0.00 0.00 58.31 53.98 3jsn n LYS 248 Cb 0.52 -1.37 0.59 0.00 -1.84 0.00 0.00 35.03 32.93 3jsn n LYS 248 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3jsn n ASN 249 N 0.63 0.00 -4.76 4.39 5.03 -1.26 -4.83 115.26 114.46 3jsn n ASN 249 Ca 0.15 -0.58 -0.33 0.00 0.87 0.00 0.00 54.58 54.69 3jsn n ASN 249 Cb 0.37 -0.02 0.07 0.00 -1.02 0.00 0.00 39.78 39.17 3jsn n ASN 249 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3jsn s ARG 250 N -2.05 2.52 -0.14 3.52 1.70 -1.18 -4.76 118.95 118.56 3jsn s ARG 250 Ca 0.30 1.40 -0.11 0.00 -0.47 0.00 0.00 55.73 56.84 3jsn s ARG 250 Cb 0.14 -1.91 0.04 0.00 -0.57 0.00 0.00 34.95 32.65 3jsn s ARG 250 CO 0.24 -1.47 0.37 0.00 -1.08 0.00 0.00 175.30 173.36 3jsn s ALA 251 N -2.43 -0.92 -0.06 7.88 0.00 -0.07 -4.99 121.76 121.17 3jsn s ALA 251 Ca 0.67 1.16 -0.25 0.00 0.00 0.00 0.00 51.96 53.54 3jsn s ALA 251 Cb -0.21 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3jsn s ALA 251 CO 0.46 -0.20 0.78 0.50 0.00 0.00 0.00 175.76 177.30 3jsn s ARG 252 N 0.59 4.45 0.28 0.00 3.52 -1.26 -1.08 118.95 125.45 3jsn s ARG 252 Ca -0.03 1.01 0.08 0.00 -0.13 0.00 0.00 55.73 56.66 3jsn s ARG 252 Cb -0.05 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 29.82 3jsn s ARG 252 CO -0.04 -0.01 -0.10 0.14 -0.81 0.00 0.00 175.30 174.49 3jsn s VAL 253 N 1.01 1.87 -0.21 7.11 -7.23 0.73 -4.98 120.40 118.71 3jsn s VAL 253 Ca 0.41 -2.19 0.19 0.00 -1.81 0.00 0.00 61.98 58.58 3jsn s VAL 253 Cb -0.18 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.37 3jsn s VAL 253 CO 0.20 -0.34 1.15 0.78 -0.31 0.00 0.00 175.10 176.58 3jsn h ASN 254 N 2.27 0.00 -2.05 4.85 -0.26 -1.91 -0.53 115.58 117.95 3jsn h ASN 254 Ca -0.40 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 55.41 3jsn h ASN 254 Cb 1.24 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.49 3jsn h ASN 254 CO 0.66 0.31 0.34 -0.46 -1.06 0.00 0.00 177.43 177.22 3jsn n ASN 255 N -2.94 -1.30 0.15 5.81 0.23 -1.26 -4.48 115.26 111.47 3jsn n ASN 255 Ca -0.02 -1.76 -0.00 0.00 -0.53 0.00 0.00 54.58 52.27 3jsn n ASN 255 Cb 0.69 2.13 0.24 0.00 -2.08 0.00 0.00 39.78 40.75 3jsn n ASN 255 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3jsn h ILE 256 N 1.67 1.37 -0.90 1.53 6.09 -1.94 -0.84 117.51 124.50 3jsn h ILE 256 Ca -0.20 -1.79 -0.00 0.00 -1.37 0.00 0.00 64.86 61.50 3jsn h ILE 256 Cb 0.82 1.96 -0.04 0.00 0.47 0.00 0.00 36.82 40.03 3jsn h ILE 256 CO 0.26 0.51 0.56 0.44 -3.07 0.00 0.00 178.15 176.85 3jsn h ASP 257 N 0.02 1.07 -0.59 2.19 3.32 -1.99 0.63 116.42 121.07 3jsn h ASP 257 Ca -0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3jsn h ASP 257 Cb 0.93 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3jsn h ASP 257 CO 0.07 0.81 0.07 1.23 -1.72 0.00 0.00 179.24 179.70 3jsn h GLY 258 N 1.24 1.10 0.78 2.75 0.00 -1.58 -1.67 103.07 105.69 3jsn h GLY 258 Ca 0.33 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.94 3jsn h GLY 258 CO -0.06 0.68 -0.05 -2.08 0.00 0.00 0.00 176.54 175.03 3jsn h VAL 259 N 0.95 0.85 -0.83 4.60 2.07 -0.78 -1.44 116.25 121.68 3jsn h VAL 259 Ca 0.19 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.69 3jsn h VAL 259 Cb 0.45 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3jsn h VAL 259 CO 0.02 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 177.99 3jsn h LEU 260 N -0.05 1.03 -0.87 2.57 3.38 -0.72 0.05 115.31 120.70 3jsn h LEU 260 Ca 0.05 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3jsn h LEU 260 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3jsn h LEU 260 CO -0.10 0.83 -0.38 -0.08 0.09 0.00 0.00 178.44 178.80 3jsn h GLU 261 N 1.16 0.37 -0.47 1.13 4.81 -1.25 -1.62 114.58 118.71 3jsn h GLU 261 Ca 0.29 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3jsn h GLU 261 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3jsn h GLU 261 CO -0.05 0.70 -0.05 -0.92 -0.73 0.00 0.00 179.01 177.96 3jsn h TYR 262 N 0.32 0.96 -0.59 0.92 3.20 -0.27 -2.69 116.97 118.82 3jsn h TYR 262 Ca 0.03 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 3jsn h TYR 262 Cb 0.81 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3jsn h TYR 262 CO 0.02 0.93 0.36 0.82 -1.64 0.00 0.00 178.16 178.64 3jsn h ILE 263 N 0.71 1.17 0.04 1.81 2.04 -0.93 -1.08 117.51 121.28 3jsn h ILE 263 Ca 0.13 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3jsn h ILE 263 Cb 0.58 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3jsn h ILE 263 CO 0.03 0.18 -0.11 -0.33 0.00 0.00 0.00 178.15 177.92 3jsn h GLU 264 N 0.79 -0.20 -0.01 2.37 5.08 -1.25 0.59 114.58 121.95 3jsn h GLU 264 Ca 0.21 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3jsn h GLU 264 Cb -0.02 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3jsn h GLU 264 CO -0.04 -0.13 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.42 3jsn h LYS 265 N -0.21 -0.30 -0.00 2.33 3.64 -1.36 -3.18 116.57 117.50 3jsn h LYS 265 Ca 0.03 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 3jsn h LYS 265 Cb 0.24 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3jsn h LYS 265 CO -0.08 -0.20 -0.68 -1.49 -2.27 0.00 0.00 179.45 174.73 3jsn h TRP 266 N -0.31 0.01 -0.19 1.91 4.06 -0.95 -3.22 115.95 117.26 3jsn h TRP 266 Ca 0.06 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 61.05 3jsn h TRP 266 Cb 0.39 -0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.48 3jsn h TRP 266 CO -0.25 0.69 -0.49 1.15 -3.56 0.00 0.00 178.44 175.99 3jsn h THR 267 N 0.01 0.06 -0.01 1.49 2.02 -0.86 0.59 112.91 116.22 3jsn h THR 267 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3jsn h THR 267 Cb 1.21 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3jsn h THR 267 CO 0.09 0.00 0.01 -1.28 0.37 0.00 0.00 175.52 174.71 3jsn h SER 268 N -0.51 0.00 -0.58 4.18 0.87 -1.62 -2.85 113.55 113.04 3jsn h SER 268 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3jsn h SER 268 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3jsn h SER 268 CO -0.46 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.84 3jsn n GLN 269 N -3.92 2.60 0.12 2.24 6.02 0.12 -4.60 117.38 119.97 3jsn n GLN 269 Ca -0.03 -2.18 0.12 0.00 -0.01 0.00 0.00 57.00 54.90 3jsn n GLN 269 Cb 0.09 -1.54 0.48 0.00 1.02 0.00 0.00 30.24 30.28 3jsn n GLN 269 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3jsn n ARG 270 N 1.14 0.20 0.00 -1.09 1.85 -0.74 -1.37 116.66 116.65 3jsn n ARG 270 Ca 0.20 0.39 0.11 0.00 -1.00 0.00 0.00 57.85 57.55 3jsn n ARG 270 Cb 0.56 -1.86 0.11 0.00 -1.05 0.00 0.00 32.46 30.23 3jsn n ARG 270 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3jsn n GLU 271 N -2.23 0.05 0.00 2.89 -0.58 -1.26 -4.36 120.64 115.15 3jsn n GLU 271 Ca 0.03 -0.03 0.14 0.00 -0.42 0.00 0.00 57.16 56.87 3jsn n GLU 271 Cb 0.26 -1.50 0.54 0.00 -0.57 0.00 0.00 31.44 30.17 3jsn n GLU 271 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3jsn n SER 272 N -1.45 1.29 -5.01 1.62 3.41 -0.47 -4.94 113.62 108.08 3jsn n SER 272 Ca 0.05 -1.35 -0.18 0.00 -0.26 0.00 0.00 58.87 57.14 3jsn n SER 272 Cb 0.34 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 3jsn n SER 272 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jsn s LEU 273 N -2.09 3.51 0.06 1.04 1.43 -1.26 -4.97 118.68 116.40 3jsn s LEU 273 Ca 0.36 -0.54 0.19 0.00 -1.03 0.00 0.00 54.13 53.11 3jsn s LEU 273 Cb 0.21 -2.38 0.79 0.00 0.03 0.00 0.00 46.19 44.83 3jsn s LEU 273 CO 0.37 -0.88 1.59 -2.65 0.23 0.00 0.00 176.35 175.01 3jsn n PRO 274 N -1.92 0.05 -4.26 1.29 -0.02 -1.26 -4.71 135.00 124.17 3jsn n PRO 274 Ca 0.09 0.24 -0.18 0.00 -2.02 0.00 0.00 63.50 61.63 3jsn n PRO 274 Cb 0.60 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 32.39 3jsn n PRO 274 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3jsn s TYR 275 N -3.06 1.47 0.58 6.00 -0.85 -1.26 -0.52 117.35 119.71 3jsn s TYR 275 Ca 0.08 -0.57 -0.12 0.00 -0.52 0.00 0.00 57.07 55.94 3jsn s TYR 275 Cb 0.11 -0.75 -0.05 0.00 0.38 0.00 0.00 41.96 41.65 3jsn s TYR 275 CO 0.34 0.18 1.01 -0.51 -1.52 0.00 0.00 175.55 175.05 3jsn s ASP 276 N -2.63 6.35 0.04 -0.18 1.01 -1.26 -4.92 116.67 115.07 3jsn s ASP 276 Ca 0.12 1.45 0.02 0.00 0.71 0.00 0.00 52.55 54.85 3jsn s ASP 276 Cb -0.04 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 3jsn s ASP 276 CO 0.04 -0.78 -0.08 0.27 0.21 0.00 0.00 175.17 174.83 3jsn s ILE 277 N -3.00 0.55 -0.66 0.77 -4.36 -1.26 -1.42 121.20 111.82 3jsn s ILE 277 Ca 0.56 -1.09 0.06 0.00 -0.26 0.00 0.00 60.65 59.92 3jsn s ILE 277 Cb -0.11 -0.62 0.02 0.00 1.25 0.00 0.00 42.46 43.01 3jsn s ILE 277 CO 0.47 -0.38 0.59 -0.90 0.24 0.00 0.00 174.94 174.96 3jsn n ASP 278 N 1.46 1.24 0.00 4.36 5.68 -0.36 -4.74 116.55 124.17 3jsn n ASP 278 Ca -0.23 -1.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 3jsn n ASP 278 Cb 0.55 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.75 3jsn n ASP 278 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jsn n GLY 279 N 0.52 -0.77 2.91 6.12 0.00 -1.25 -3.22 105.19 109.50 3jsn n GLY 279 Ca 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 3jsn n GLY 279 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jsn s ILE 280 N -3.97 0.38 -0.16 -0.61 1.01 -0.15 -0.48 121.20 117.23 3jsn s ILE 280 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3jsn s ILE 280 Cb 0.00 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 3jsn s ILE 280 CO 0.00 0.15 0.07 -0.69 0.00 0.00 0.00 174.94 174.47 3jsn s VAL 281 N 0.42 4.88 -0.12 2.92 1.01 0.52 -0.40 120.40 129.62 3jsn s VAL 281 Ca -0.05 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3jsn s VAL 281 Cb -0.08 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3jsn s VAL 281 CO -0.00 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.78 3jsn s ILE 282 N -0.04 2.46 0.00 2.22 1.01 -0.39 -1.51 121.20 124.95 3jsn s ILE 282 Ca 0.07 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.90 3jsn s ILE 282 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3jsn s ILE 282 CO 0.01 0.54 -0.15 -0.54 0.00 0.00 0.00 174.94 174.79 3jsn s LYS 283 N 0.49 1.18 -0.08 2.79 1.02 -0.29 -1.49 119.74 123.36 3jsn s LYS 283 Ca -0.13 -0.62 -0.39 0.00 0.02 0.00 0.00 55.97 54.86 3jsn s LYS 283 Cb -0.17 -1.16 -0.17 0.00 -0.52 0.00 0.00 37.83 35.82 3jsn s LYS 283 CO 0.05 0.31 1.46 0.28 -0.92 0.00 0.00 175.35 176.53 3jsn n VAL 284 N 2.47 0.10 0.02 3.17 0.31 -0.25 -0.28 118.33 123.88 3jsn n VAL 284 Ca -0.15 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.04 3jsn n VAL 284 Cb 0.55 -0.86 -0.09 0.00 -0.91 0.00 0.00 33.84 32.53 3jsn n VAL 284 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3jsn h ASN 285 N 5.32 -0.12 -2.78 4.52 -1.24 -1.42 -3.44 115.58 116.43 3jsn h ASN 285 Ca -0.47 -0.46 -0.52 0.00 0.71 0.00 0.00 56.30 55.55 3jsn h ASN 285 Cb 1.34 0.03 0.04 0.00 0.73 0.00 0.00 38.32 40.46 3jsn h ASN 285 CO 0.84 0.47 0.92 -0.62 -1.29 0.00 0.00 177.43 177.75 3jsn s ASP 286 N -5.61 6.55 0.19 1.15 2.15 -1.26 0.76 116.67 120.59 3jsn s ASP 286 Ca -0.14 2.65 -0.05 0.00 0.43 0.00 0.00 52.55 55.43 3jsn s ASP 286 Cb 0.00 -2.59 0.10 0.00 -0.30 0.00 0.00 42.92 40.13 3jsn s ASP 286 CO 0.55 -0.86 1.54 -0.07 -0.17 0.00 0.00 175.17 176.16 3jsn h LEU 287 N 7.02 0.77 -1.08 -1.34 3.38 -1.53 -1.99 115.31 120.53 3jsn h LEU 287 Ca -0.43 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.23 3jsn h LEU 287 Cb 1.20 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 3jsn h LEU 287 CO 0.92 1.08 0.62 0.44 0.09 0.00 0.00 178.44 181.59 3jsn h ASP 288 N 0.58 1.03 -0.10 -0.43 3.32 -1.92 -2.24 116.42 116.67 3jsn h ASP 288 Ca 0.05 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 3jsn h ASP 288 Cb 0.96 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3jsn h ASP 288 CO 0.09 0.70 -0.28 1.56 -1.72 0.00 0.00 179.24 179.59 3jsn h GLN 289 N 1.19 0.56 -0.63 3.56 4.20 -1.83 0.11 115.11 122.27 3jsn h GLN 289 Ca 0.38 -0.23 0.08 0.00 0.06 0.00 0.00 58.65 58.93 3jsn h GLN 289 Cb 0.01 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 3jsn h GLN 289 CO -0.11 0.79 0.30 1.96 -0.67 0.00 0.00 178.83 181.09 3jsn h GLN 290 N 0.49 0.53 -0.38 1.46 4.20 -0.98 -1.24 115.11 119.18 3jsn h GLN 290 Ca 0.06 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.64 3jsn h GLN 290 Cb 0.74 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 3jsn h GLN 290 CO 0.06 0.35 -0.18 -0.44 -0.67 0.00 0.00 178.83 177.95 3jsn h ASP 291 N 0.54 0.82 -0.47 1.46 3.32 -0.87 -2.42 116.42 118.80 3jsn h ASP 291 Ca 0.30 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3jsn h ASP 291 Cb 0.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3jsn h ASP 291 CO -0.24 1.04 0.31 -0.08 -1.72 0.00 0.00 179.24 178.55 3jsn h GLU 292 N 0.59 0.58 0.06 3.56 4.81 -0.62 -3.02 114.58 120.54 3jsn h GLU 292 Ca 0.09 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.04 3jsn h GLU 292 Cb 0.73 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3jsn h GLU 292 CO 0.05 0.38 -1.12 0.52 -0.73 0.00 0.00 179.01 178.12 3jsn h MET 293 N 0.60 0.14 0.00 1.92 2.86 -0.74 -3.49 114.93 116.21 3jsn h MET 293 Ca 0.18 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3jsn h MET 293 Cb -0.01 0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3jsn h MET 293 CO -0.04 1.11 0.00 0.41 1.06 0.00 0.00 176.91 179.45 3jsn n GLY 294 N 1.43 -1.90 3.33 8.32 0.00 -1.05 -4.68 105.19 110.64 3jsn n GLY 294 Ca -0.04 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 3jsn n GLY 294 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jsn s PHE 295 N 0.00 1.90 -0.05 1.61 0.08 -1.26 -1.53 117.98 118.73 3jsn s PHE 295 Ca 0.00 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.62 3jsn s PHE 295 Cb 0.00 -0.99 0.02 0.00 -0.57 0.00 0.00 43.02 41.49 3jsn s PHE 295 CO 0.00 0.30 -0.03 0.99 -0.10 0.00 0.00 175.22 176.38 3jsn s THR 296 N -1.59 0.42 -1.41 0.64 2.01 -0.05 -4.84 115.64 110.83 3jsn s THR 296 Ca 0.12 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 3jsn s THR 296 Cb -0.08 -0.49 0.03 0.00 0.01 0.00 0.00 72.50 71.98 3jsn s THR 296 CO 0.06 0.21 0.51 0.00 -0.69 0.00 0.00 174.62 174.71 3jsn n GLN 297 N 4.25 -4.02 -1.79 4.92 6.02 -1.26 -1.86 117.38 123.64 3jsn n GLN 297 Ca -0.22 0.70 -0.08 0.00 -0.01 0.00 0.00 57.00 57.39 3jsn n GLN 297 Cb 0.51 -5.48 -0.02 0.00 1.02 0.00 0.00 30.24 26.27 3jsn n GLN 297 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3jsn n LYS 298 N -3.80 -0.60 -3.93 -1.09 4.01 -1.26 -5.02 118.16 106.46 3jsn n LYS 298 Ca -0.08 0.54 -0.11 0.00 -0.51 0.00 0.00 58.31 58.15 3jsn n LYS 298 Cb 0.59 -4.43 -0.13 0.00 -0.51 0.00 0.00 35.03 30.54 3jsn n LYS 298 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3jsn s SER 299 N -2.75 0.15 0.26 4.39 0.15 -0.78 -4.55 113.70 110.57 3jsn s SER 299 Ca 0.00 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.18 3jsn s SER 299 Cb 0.00 0.03 -0.09 0.00 -1.71 0.00 0.00 66.02 64.24 3jsn s SER 299 CO 0.00 -0.09 1.26 -2.16 1.20 0.00 0.00 173.24 173.45 3jsn s PRO 300 N -0.49 4.44 0.00 5.44 0.04 -1.26 -0.87 135.00 142.29 3jsn s PRO 300 Ca -0.05 2.05 0.28 0.00 0.04 0.00 0.00 61.00 63.32 3jsn s PRO 300 Cb -0.03 -3.15 1.14 0.00 0.04 0.00 0.00 34.50 32.49 3jsn s PRO 300 CO -0.00 -0.12 1.83 0.54 0.04 0.00 0.00 177.00 179.28 3jsn n ARG 301 N 1.67 0.25 -0.20 4.56 1.74 -0.58 -3.84 116.66 120.25 3jsn n ARG 301 Ca 0.02 -0.06 0.08 0.00 -0.77 0.00 0.00 57.85 57.12 3jsn n ARG 301 Cb 0.43 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.56 3jsn n ARG 301 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 3jsn n TRP 302 N -1.32 0.53 -4.00 -1.55 4.27 -1.26 -4.82 117.44 109.28 3jsn n TRP 302 Ca 0.10 -0.40 -0.09 0.00 -3.89 0.00 0.00 57.50 53.23 3jsn n TRP 302 Cb 0.31 -0.01 -0.11 0.00 -1.36 0.00 0.00 31.31 30.14 3jsn n TRP 302 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3jsn s ALA 303 N -1.07 0.19 -0.15 -1.67 0.00 -1.25 -1.09 121.76 116.73 3jsn s ALA 303 Ca 0.30 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 3jsn s ALA 303 Cb 0.17 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.53 3jsn s ALA 303 CO 0.22 -0.23 0.63 -1.50 0.00 0.00 0.00 175.76 174.89 3jsn s ILE 304 N -2.16 0.01 -0.36 0.00 2.07 -0.56 -4.51 121.20 115.69 3jsn s ILE 304 Ca -0.09 -0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 58.98 3jsn s ILE 304 Cb -0.05 -0.91 -0.00 0.00 0.13 0.00 0.00 42.46 41.63 3jsn s ILE 304 CO -0.03 -0.02 0.23 0.00 -1.91 0.00 0.00 174.94 173.20 3jsn s ALA 305 N -0.42 3.42 -0.17 1.50 0.00 -0.36 -1.27 121.76 124.47 3jsn s ALA 305 Ca -0.06 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 3jsn s ALA 305 Cb -0.03 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 3jsn s ALA 305 CO 0.05 -1.13 0.99 -0.47 0.00 0.00 0.00 175.76 175.20 3jsn s TYR 306 N 1.67 3.42 -0.19 0.00 5.04 0.46 -0.93 117.35 126.82 3jsn s TYR 306 Ca 0.05 1.48 -0.10 0.00 -2.44 0.00 0.00 57.07 56.07 3jsn s TYR 306 Cb -0.18 -3.19 -0.05 0.00 0.35 0.00 0.00 41.96 38.89 3jsn s TYR 306 CO 0.09 -0.33 0.12 0.15 -1.34 0.00 0.00 175.55 174.24 3jsn s LYS 307 N 2.53 4.14 0.00 4.97 -0.14 -0.25 -0.98 119.74 130.01 3jsn s LYS 307 Ca 0.45 -0.23 0.11 0.00 -1.36 0.00 0.00 55.97 54.94 3jsn s LYS 307 Cb -0.17 -3.38 0.68 0.00 -1.68 0.00 0.00 37.83 33.29 3jsn s LYS 307 CO 0.12 0.31 1.12 1.19 -0.76 0.00 0.00 175.35 177.33