#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfg n GLU 2 N 0.00 0.00 -3.93 0.03 4.71 -1.26 -4.79 120.64 115.40 1jfg n GLU 2 Ca 0.00 0.11 -0.22 0.00 -0.01 0.00 0.00 57.16 57.04 1jfg n GLU 2 Cb 0.00 -0.79 -0.17 0.00 -1.01 0.00 0.00 31.44 29.47 1jfg n GLU 2 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1jfg s ASN 3 N -2.36 1.36 0.03 1.62 0.01 -1.26 -5.12 114.94 109.22 1jfg s ASN 3 Ca 0.00 -0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 51.73 1jfg s ASN 3 Cb 0.00 -0.47 -0.07 0.00 0.41 0.00 0.00 41.25 41.12 1jfg s ASN 3 CO 0.00 -0.13 1.62 0.12 -1.51 0.00 0.00 177.10 177.20 1jfg s PHE 4 N 1.53 2.37 0.00 2.20 5.36 -1.26 -4.87 117.98 123.31 1jfg s PHE 4 Ca -0.01 0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 56.30 1jfg s PHE 4 Cb -0.13 -3.92 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 1jfg s PHE 4 CO -0.03 -3.69 0.79 -2.30 -1.46 0.00 0.00 175.22 168.53 1jfg n PRO 5 N 5.90 0.34 -0.22 10.12 -0.02 -1.26 -4.64 135.00 145.22 1jfg n PRO 5 Ca 0.16 -0.09 0.01 0.00 -2.02 0.00 0.00 63.50 61.56 1jfg n PRO 5 Cb 0.41 -1.47 0.05 0.00 -0.02 0.00 0.00 33.50 32.48 1jfg n PRO 5 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jfg n THR 6 N 2.25 -0.28 0.17 3.45 -1.04 -1.26 0.46 114.28 118.02 1jfg n THR 6 Ca 0.04 1.37 -0.15 0.00 -2.04 0.00 0.00 64.05 63.28 1jfg n THR 6 Cb 0.16 -1.86 -0.07 0.00 -1.82 0.00 0.00 70.33 66.75 1jfg n THR 6 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1jfg h GLU 7 N 0.00 -0.65 -0.22 -2.82 4.39 -2.01 -1.55 114.58 111.72 1jfg h GLU 7 Ca 0.24 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 1jfg h GLU 7 Cb 0.39 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1jfg h GLU 7 CO -0.60 -0.43 -0.04 -0.92 -1.16 0.00 0.00 179.01 175.86 1jfg h TYR 8 N -0.67 0.34 -0.38 4.33 -0.00 -0.38 -2.25 116.97 117.96 1jfg h TYR 8 Ca 0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 58.73 58.75 1jfg h TYR 8 Cb 0.65 -0.10 -0.04 0.00 -0.00 0.00 0.00 36.73 37.24 1jfg h TYR 8 CO -0.27 0.38 0.14 0.35 -0.00 0.00 0.00 178.16 178.76 1jfg h PHE 9 N 0.32 0.26 -0.29 -3.82 3.57 -0.23 -2.15 116.94 114.61 1jfg h PHE 9 Ca 0.07 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1jfg h PHE 9 Cb 0.28 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1jfg h PHE 9 CO 0.01 0.11 0.02 -0.07 -2.23 0.00 0.00 178.31 176.15 1jfg h LEU 10 N 0.31 -0.06 -0.17 0.59 3.38 -0.69 -2.02 115.31 116.64 1jfg h LEU 10 Ca 0.17 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1jfg h LEU 10 Cb 0.14 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jfg h LEU 10 CO -0.17 0.00 0.04 -1.13 0.09 0.00 0.00 178.44 177.28 1jfg h ASN 11 N 0.12 0.03 -0.30 -0.43 -0.73 -1.27 -1.13 115.58 111.87 1jfg h ASN 11 Ca 0.13 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 1jfg h ASN 11 Cb 0.16 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1jfg h ASN 11 CO -0.21 0.04 0.08 0.71 -0.37 0.00 0.00 177.43 177.68 1jfg h THR 12 N 0.12 1.22 -0.81 -3.57 1.35 -1.28 -1.89 112.91 108.04 1jfg h THR 12 Ca 0.08 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 1jfg h THR 12 Cb 0.06 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.55 1jfg h THR 12 CO -0.09 0.24 0.48 0.74 -0.25 0.00 0.00 175.52 176.64 1jfg h THR 13 N 0.33 1.23 -0.53 6.82 2.02 -1.31 -1.90 112.91 119.57 1jfg h THR 13 Ca 0.10 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1jfg h THR 13 Cb 0.29 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1jfg h THR 13 CO 0.00 0.24 -0.03 0.58 0.37 0.00 0.00 175.52 176.68 1jfg h VAL 14 N 1.11 1.26 -0.46 3.16 2.07 -1.09 -2.13 116.25 120.17 1jfg h VAL 14 Ca 0.29 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1jfg h VAL 14 Cb -0.03 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1jfg h VAL 14 CO -0.05 0.40 0.21 0.03 0.02 0.00 0.00 177.57 178.18 1jfg h ARG 15 N 0.85 0.68 0.75 1.57 3.08 -0.82 -1.06 114.38 119.43 1jfg h ARG 15 Ca 0.15 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1jfg h ARG 15 Cb 0.54 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1jfg h ARG 15 CO 0.03 0.59 -0.36 1.25 -1.07 0.00 0.00 179.97 180.41 1jfg h LEU 16 N 0.61 -0.86 -1.08 3.04 5.85 -1.24 -0.76 115.31 120.87 1jfg h LEU 16 Ca 0.16 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.13 1jfg h LEU 16 Cb 0.15 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 1jfg h LEU 16 CO -0.02 -0.49 0.61 -0.07 -0.34 0.00 0.00 178.44 178.14 1jfg h LEU 17 N -1.27 0.68 -0.09 2.25 3.38 -1.43 -0.48 115.31 118.36 1jfg h LEU 17 Ca -0.10 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1jfg h LEU 17 Cb 0.78 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jfg h LEU 17 CO 0.17 0.18 -0.10 -0.08 0.09 0.00 0.00 178.44 178.70 1jfg h GLU 18 N 0.62 0.22 -1.00 1.13 4.81 -1.15 0.07 114.58 119.29 1jfg h GLU 18 Ca 0.60 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1jfg h GLU 18 Cb 1.13 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1jfg h GLU 18 CO -0.40 0.66 0.66 -0.92 -0.73 0.00 0.00 179.01 178.28 1jfg h TYR 19 N -0.20 1.26 -0.01 0.92 3.20 0.18 -1.43 116.97 120.89 1jfg h TYR 19 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1jfg h TYR 19 Cb 0.62 -0.43 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1jfg h TYR 19 CO 0.09 0.80 -0.04 0.44 -1.64 0.00 0.00 178.16 177.81 1jfg n ILE 20 N -4.38 0.00 -3.74 1.81 -5.35 -0.32 -4.93 119.36 102.45 1jfg n ILE 20 Ca 0.12 -0.14 -0.27 0.00 -0.27 0.00 0.00 62.75 62.19 1jfg n ILE 20 Cb 0.01 0.12 0.02 0.00 -1.74 0.00 0.00 39.64 38.06 1jfg n ILE 20 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1jfg n ARG 21 N -0.41 -2.65 -1.62 6.28 1.74 -0.54 -4.76 116.66 114.69 1jfg n ARG 21 Ca 0.19 0.49 -0.57 0.00 -0.77 0.00 0.00 57.85 57.19 1jfg n ARG 21 Cb 0.28 -4.54 -0.08 0.00 -1.02 0.00 0.00 32.46 27.10 1jfg n ARG 21 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1jfg n TYR 22 N -4.22 1.88 -3.54 -1.55 9.36 -0.06 -4.94 117.16 114.08 1jfg n TYR 22 Ca -0.20 0.54 -0.00 0.00 3.32 0.00 0.00 57.90 61.56 1jfg n TYR 22 Cb 0.64 -2.45 -0.04 0.00 -0.63 0.00 0.00 39.34 36.86 1jfg n TYR 22 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1jfg s ARG 23 N 4.28 0.57 -0.21 2.98 1.70 -1.26 -5.05 118.95 121.97 1jfg s ARG 23 Ca 1.03 1.34 -0.07 0.00 -0.47 0.00 0.00 55.73 57.56 1jfg s ARG 23 Cb -1.09 0.78 -0.04 0.00 -0.57 0.00 0.00 34.95 34.03 1jfg s ARG 23 CO 0.64 -0.30 0.06 0.34 -1.08 0.00 0.00 175.30 174.96 1jfg s ASP 24 N 2.88 5.40 -0.13 -2.89 -1.08 -1.26 -4.88 116.67 114.71 1jfg s ASP 24 Ca 0.00 -0.04 0.19 0.00 -0.52 0.00 0.00 52.55 52.18 1jfg s ASP 24 Cb -0.13 -1.94 0.39 0.00 -1.46 0.00 0.00 42.92 39.78 1jfg s ASP 24 CO -0.19 0.09 1.18 -1.54 0.52 0.00 0.00 175.17 175.23 1jfg n SER 25 N 4.07 0.53 -0.06 -0.34 3.41 -1.26 -4.91 113.62 115.06 1jfg n SER 25 Ca -0.16 -2.04 -0.03 0.00 -0.26 0.00 0.00 58.87 56.38 1jfg n SER 25 Cb 0.52 -0.13 0.21 0.00 -0.26 0.00 0.00 64.21 64.55 1jfg n SER 25 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1jfg h ASN 26 N 1.37 0.64 -4.88 4.04 2.35 -1.95 -3.45 115.58 113.70 1jfg h ASN 26 Ca -0.28 -0.15 -0.19 0.00 -0.55 0.00 0.00 56.30 55.12 1jfg h ASN 26 Cb 1.54 -0.17 -0.16 0.00 0.05 0.00 0.00 38.32 39.57 1jfg h ASN 26 CO 0.02 0.73 -0.70 -0.31 -1.65 0.00 0.00 177.43 175.53 1jfg s TYR 27 N -4.91 0.67 0.23 1.19 2.02 -1.26 -5.06 117.35 110.23 1jfg s TYR 27 Ca -0.09 -0.87 -0.14 0.00 -0.37 0.00 0.00 57.07 55.60 1jfg s TYR 27 Cb 0.15 -0.43 -0.08 0.00 -0.40 0.00 0.00 41.96 41.20 1jfg s TYR 27 CO 0.79 -0.22 0.64 0.95 -1.57 0.00 0.00 175.55 176.14 1jfg s THR 28 N -3.20 4.77 0.33 -0.71 -4.23 -1.26 -4.89 115.64 106.44 1jfg s THR 28 Ca 0.04 0.87 0.15 0.00 -1.18 0.00 0.00 61.69 61.57 1jfg s THR 28 Cb 0.03 -3.70 0.34 0.00 1.34 0.00 0.00 72.50 70.51 1jfg s THR 28 CO -0.05 0.04 1.45 -1.14 -0.54 0.00 0.00 174.62 174.37 1jfg n ARG 29 N 0.23 -0.06 -0.19 3.99 0.63 -1.26 -0.48 116.66 119.51 1jfg n ARG 29 Ca -0.01 1.29 -0.10 0.00 -0.92 0.00 0.00 57.85 58.12 1jfg n ARG 29 Cb 0.52 -2.25 0.01 0.00 0.45 0.00 0.00 32.46 31.19 1jfg n ARG 29 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1jfg h GLU 30 N 0.00 1.03 -0.15 -0.14 3.07 -1.99 -2.80 114.58 113.60 1jfg h GLU 30 Ca 0.73 -0.36 -0.11 0.00 -0.50 0.00 0.00 59.36 59.12 1jfg h GLU 30 Cb 1.84 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.66 1jfg h GLU 30 CO -0.74 1.05 -0.37 0.93 -1.40 0.00 0.00 179.01 178.48 1jfg h GLU 31 N 0.91 0.32 0.10 2.33 5.08 -1.15 -2.11 114.58 120.06 1jfg h GLU 31 Ca 0.15 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jfg h GLU 31 Cb 0.63 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1jfg h GLU 31 CO 0.04 0.65 -0.06 0.00 -1.00 0.00 0.00 179.01 178.64 1jfg h ARG 32 N 0.27 -0.15 -0.57 2.33 3.08 -1.29 -1.75 114.38 116.30 1jfg h ARG 32 Ca 0.03 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1jfg h ARG 32 Cb 0.78 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1jfg h ARG 32 CO 0.06 -0.10 0.31 0.82 -1.07 0.00 0.00 179.97 179.99 1jfg h ILE 33 N -0.15 1.19 0.10 2.04 2.04 -1.37 0.05 117.51 121.40 1jfg h ILE 33 Ca -0.01 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1jfg h ILE 33 Cb 0.13 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1jfg h ILE 33 CO 0.01 0.21 -0.13 -0.33 0.00 0.00 0.00 178.15 177.91 1jfg h GLU 34 N 0.77 -0.27 -0.54 2.37 5.08 -1.18 -0.78 114.58 120.04 1jfg h GLU 34 Ca 0.20 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1jfg h GLU 34 Cb 0.06 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1jfg h GLU 34 CO -0.03 -0.18 0.17 -0.91 -1.00 0.00 0.00 179.01 177.06 1jfg h ASN 35 N -0.28 0.78 -0.11 1.42 2.35 -1.17 -0.84 115.58 117.73 1jfg h ASN 35 Ca 0.01 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 1jfg h ASN 35 Cb 0.28 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1jfg h ASN 35 CO -0.06 0.78 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.37 1jfg h LEU 36 N 0.74 -0.19 -0.64 1.61 3.38 -0.82 -0.70 115.31 118.69 1jfg h LEU 36 Ca 0.17 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1jfg h LEU 36 Cb 0.27 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1jfg h LEU 36 CO -0.01 -0.08 0.15 -0.74 0.09 0.00 0.00 178.44 177.86 1jfg h HIS 37 N -0.05 1.08 -0.11 1.13 2.76 -0.98 -0.10 115.15 118.87 1jfg h HIS 37 Ca 0.06 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1jfg h HIS 37 Cb 0.15 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 1jfg h HIS 37 CO -0.18 0.90 0.06 -0.92 -1.30 0.00 0.00 177.93 176.48 1jfg h TYR 38 N 0.95 0.15 -0.05 5.26 3.20 -0.89 0.61 116.97 126.19 1jfg h TYR 38 Ca 0.20 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1jfg h TYR 38 Cb 0.36 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1jfg h TYR 38 CO 0.03 0.18 0.02 0.00 -1.64 0.00 0.00 178.16 176.75 1jfg h ALA 39 N 0.96 0.07 -0.05 1.82 0.00 -1.04 -2.60 119.26 118.41 1jfg h ALA 39 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jfg h ALA 39 Cb 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jfg h ALA 39 CO -0.01 -0.36 -0.03 -0.92 0.00 0.00 0.00 179.25 177.93 1jfg h TYR 40 N -0.06 -0.08 -0.39 0.00 3.20 -0.92 -2.40 116.97 116.32 1jfg h TYR 40 Ca 0.02 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.96 1jfg h TYR 40 Cb 0.14 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1jfg h TYR 40 CO -0.03 -0.06 0.03 -0.97 -1.64 0.00 0.00 178.16 175.50 1jfg h ASN 41 N -0.04 -0.10 -0.51 -2.11 -1.24 -0.82 0.40 115.58 111.16 1jfg h ASN 41 Ca 0.03 0.08 -0.12 0.00 0.71 0.00 0.00 56.30 57.00 1jfg h ASN 41 Cb 0.08 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 1jfg h ASN 41 CO -0.07 -0.01 -0.15 0.50 -1.29 0.00 0.00 177.43 176.41 1jfg h LYS 42 N 0.14 1.01 -0.15 6.67 3.64 -1.41 -2.52 116.57 123.94 1jfg h LYS 42 Ca 0.19 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1jfg h LYS 42 Cb 0.26 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1jfg h LYS 42 CO -0.30 1.08 0.01 0.00 -2.27 0.00 0.00 179.45 177.97 1jfg h ALA 43 N 0.90 0.20 -0.95 5.00 0.00 -0.94 -2.21 119.26 121.26 1jfg h ALA 43 Ca 0.13 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1jfg h ALA 43 Cb 0.72 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1jfg h ALA 43 CO 0.06 -0.11 0.60 0.00 0.00 0.00 0.00 179.25 179.79 1jfg h ALA 44 N 0.78 1.37 -0.28 0.00 0.00 -0.21 0.35 119.26 121.27 1jfg h ALA 44 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1jfg h ALA 44 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jfg h ALA 44 CO 0.01 0.28 -0.23 0.45 0.00 0.00 0.00 179.25 179.75 1jfg h HIS 45 N 1.02 0.59 0.10 0.00 -0.00 -1.34 -2.28 115.15 113.24 1jfg h HIS 45 Ca 0.44 -0.12 -0.00 0.00 -0.00 0.00 0.00 60.37 60.68 1jfg h HIS 45 Cb 0.32 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1jfg h HIS 45 CO -0.02 0.72 -0.05 1.25 -0.00 0.00 0.00 177.93 179.84 1jfg h HIS 46 N 0.47 -0.12 0.00 2.45 6.17 -0.45 -3.09 115.15 120.58 1jfg h HIS 46 Ca 0.07 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.15 1jfg h HIS 46 Cb 0.66 0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.63 1jfg h HIS 46 CO 0.02 0.23 0.00 1.19 0.71 0.00 0.00 177.93 180.09 1jfg n PHE 47 N -4.98 0.00 1.03 5.26 3.72 -0.06 -2.43 117.46 120.00 1jfg n PHE 47 Ca -0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1jfg n PHE 47 Cb 0.21 -0.47 0.21 0.00 -0.94 0.00 0.00 39.48 38.49 1jfg n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jfg n ALA 48 N -1.47 3.66 -1.77 4.37 0.00 -0.86 -4.09 120.51 120.35 1jfg n ALA 48 Ca 0.04 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 1jfg n ALA 48 Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1jfg n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jfg s GLN 49 N -2.92 3.83 0.26 0.00 -0.21 -1.02 -4.24 119.66 115.36 1jfg s GLN 49 Ca 0.13 2.12 -0.02 0.00 0.02 0.00 0.00 55.36 57.60 1jfg s GLN 49 Cb 0.18 -2.64 0.52 0.00 1.00 0.00 0.00 33.01 32.06 1jfg s GLN 49 CO 0.70 -0.59 1.74 -1.00 -2.12 0.00 0.00 175.29 174.01 1jfg h PRO 50 N 2.43 0.51 -0.44 2.91 0.13 -1.91 -0.04 132.00 135.59 1jfg h PRO 50 Ca -0.50 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1jfg h PRO 50 Cb 1.25 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1jfg h PRO 50 CO 0.62 0.34 0.24 -0.09 -0.23 0.00 0.00 178.00 178.87 1jfg h ARG 51 N 0.53 0.46 -0.36 0.86 2.43 -1.95 -0.48 114.38 115.87 1jfg h ARG 51 Ca 0.45 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.54 1jfg h ARG 51 Cb 0.68 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1jfg h ARG 51 CO -0.39 0.31 0.01 1.96 -1.51 0.00 0.00 179.97 180.34 1jfg h GLN 52 N 0.48 0.63 0.00 0.20 1.08 -1.67 -1.66 115.11 114.16 1jfg h GLN 52 Ca 0.18 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1jfg h GLN 52 Cb 0.06 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1jfg h GLN 52 CO -0.11 0.74 -0.01 1.96 -0.95 0.00 0.00 178.83 180.46 1jfg h GLN 53 N 0.45 0.00 0.08 1.46 1.08 -0.70 -1.86 115.11 115.62 1jfg h GLN 53 Ca 0.10 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.93 1jfg h GLN 53 Cb 0.45 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 1jfg h GLN 53 CO 0.02 0.01 -2.16 0.94 -0.95 0.00 0.00 178.83 176.69 1jfg n GLN 54 N -3.76 0.72 0.12 1.46 7.27 -0.22 -4.43 117.38 118.54 1jfg n GLN 54 Ca -0.03 0.22 0.12 0.00 0.07 0.00 0.00 57.00 57.38 1jfg n GLN 54 Cb 0.09 -1.65 0.07 0.00 2.41 0.00 0.00 30.24 31.17 1jfg n GLN 54 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1jfg h LEU 55 N 0.05 0.00 -8.19 1.69 3.38 -1.28 -3.43 115.31 107.53 1jfg h LEU 55 Ca -0.47 -0.04 -0.71 0.00 0.09 0.00 0.00 57.88 56.74 1jfg h LEU 55 Cb 1.99 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 42.54 1jfg h LEU 55 CO 0.03 0.02 0.05 -0.22 0.09 0.00 0.00 178.44 178.41 1jfg s LEU 56 N -5.27 5.44 -0.72 1.67 2.96 -0.71 -4.68 118.68 117.38 1jfg s LEU 56 Ca 0.02 -1.41 -0.27 0.00 -0.22 0.00 0.00 54.13 52.26 1jfg s LEU 56 Cb 0.10 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.51 1jfg s LEU 56 CO 0.75 -1.04 1.25 -0.54 -1.32 0.00 0.00 176.35 175.45 1jfg s LYS 57 N 2.51 3.22 -0.15 1.98 -0.14 -1.26 -4.84 119.74 121.05 1jfg s LYS 57 Ca 0.11 -0.23 -0.13 0.00 -1.36 0.00 0.00 55.97 54.35 1jfg s LYS 57 Cb -0.24 -4.17 0.04 0.00 -1.68 0.00 0.00 37.83 31.78 1jfg s LYS 57 CO 0.07 -2.08 0.39 0.08 -0.76 0.00 0.00 175.35 173.05 1jfg s VAL 58 N 5.53 -0.00 0.19 3.17 1.01 -1.26 -5.10 120.40 123.95 1jfg s VAL 58 Ca 0.35 0.01 -0.32 0.00 0.00 0.00 0.00 61.98 62.02 1jfg s VAL 58 Cb -0.09 -0.55 -0.11 0.00 0.00 0.00 0.00 36.38 35.63 1jfg s VAL 58 CO 0.16 0.00 1.64 -0.62 0.00 0.00 0.00 175.10 176.28 1jfg s ASP 59 N 0.28 6.48 0.27 3.32 2.15 -1.26 -4.82 116.67 123.08 1jfg s ASP 59 Ca -0.01 2.76 -0.02 0.00 0.43 0.00 0.00 52.55 55.71 1jfg s ASP 59 Cb -0.03 -2.60 0.57 0.00 -0.30 0.00 0.00 42.92 40.56 1jfg s ASP 59 CO -0.00 -0.90 1.65 -0.65 -0.17 0.00 0.00 175.17 175.10 1jfg h PRO 60 N 6.66 0.19 -0.73 4.34 0.11 -1.99 0.53 132.00 141.10 1jfg h PRO 60 Ca -0.43 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1jfg h PRO 60 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1jfg h PRO 60 CO 0.93 0.12 0.39 0.87 -0.21 0.00 0.00 178.00 180.10 1jfg h LYS 61 N 0.19 1.02 -0.31 1.05 1.57 -2.00 -1.40 116.57 116.69 1jfg h LYS 61 Ca 0.48 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.99 1jfg h LYS 61 Cb 0.90 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1jfg h LYS 61 CO -0.63 0.75 -0.43 -0.09 -0.57 0.00 0.00 179.45 178.49 1jfg h ARG 62 N 1.02 0.79 -0.40 3.15 2.43 -1.33 -1.50 114.38 118.54 1jfg h ARG 62 Ca 0.26 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 58.98 1jfg h ARG 62 Cb 0.04 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jfg h ARG 62 CO -0.04 1.06 0.19 1.25 -1.51 0.00 0.00 179.97 180.92 1jfg h LEU 63 N 0.64 0.53 -0.33 3.80 5.85 -0.76 0.30 115.31 125.33 1jfg h LEU 63 Ca 0.04 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1jfg h LEU 63 Cb 0.99 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1jfg h LEU 63 CO 0.10 0.51 0.16 -0.61 -0.34 0.00 0.00 178.44 178.25 1jfg h GLN 64 N 0.51 0.32 -0.48 1.25 5.75 -1.11 0.89 115.11 122.24 1jfg h GLN 64 Ca 0.14 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 1jfg h GLN 64 Cb 0.12 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 1jfg h GLN 64 CO -0.02 0.21 -0.06 0.00 -2.65 0.00 0.00 178.83 176.31 1jfg h ALA 65 N 1.18 0.66 -0.40 3.38 0.00 -1.09 -2.31 119.26 120.67 1jfg h ALA 65 Ca 0.14 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1jfg h ALA 65 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jfg h ALA 65 CO -0.11 0.52 0.06 0.77 0.00 0.00 0.00 179.25 180.49 1jfg h SER 66 N 0.75 0.65 -0.47 0.00 0.02 -0.65 -1.59 113.55 112.25 1jfg h SER 66 Ca 0.13 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1jfg h SER 66 Cb 0.60 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1jfg h SER 66 CO 0.04 0.75 0.30 0.25 -1.14 0.00 0.00 176.83 177.03 1jfg h LEU 67 N 0.52 0.51 -0.86 5.07 5.85 -0.79 -0.87 115.31 124.75 1jfg h LEU 67 Ca 0.12 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1jfg h LEU 67 Cb 0.39 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1jfg h LEU 67 CO 0.01 0.37 0.34 1.56 -0.34 0.00 0.00 178.44 180.37 1jfg h GLN 68 N 0.61 1.17 -0.61 1.25 4.20 -1.28 -0.51 115.11 119.94 1jfg h GLN 68 Ca 0.18 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1jfg h GLN 68 Cb -0.05 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 1jfg h GLN 68 CO -0.05 0.93 0.06 1.15 -0.67 0.00 0.00 178.83 180.25 1jfg h THR 69 N 1.15 1.26 -0.15 -0.54 2.02 -0.86 -2.42 112.91 113.37 1jfg h THR 69 Ca 0.27 -1.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 1jfg h THR 69 Cb 0.18 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1jfg h THR 69 CO -0.03 0.40 -0.19 0.40 0.37 0.00 0.00 175.52 176.47 1jfg h ILE 70 N 0.95 1.35 -0.93 3.11 1.08 -0.90 -1.14 117.51 121.03 1jfg h ILE 70 Ca 0.18 -1.38 0.10 0.00 -0.39 0.00 0.00 64.86 63.37 1jfg h ILE 70 Cb 0.49 1.90 -0.08 0.00 -3.07 0.00 0.00 36.82 36.07 1jfg h ILE 70 CO 0.02 0.41 0.56 0.58 -0.69 0.00 0.00 178.15 179.03 1jfg h VAL 71 N 0.02 0.93 -0.50 1.67 2.07 -1.09 0.11 116.25 119.46 1jfg h VAL 71 Ca 0.02 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1jfg h VAL 71 Cb 0.74 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1jfg h VAL 71 CO 0.04 0.17 0.16 1.23 0.02 0.00 0.00 177.57 179.19 1jfg h GLY 72 N 0.93 0.84 0.94 2.17 0.00 -1.29 -0.45 103.07 106.21 1jfg h GLY 72 Ca 0.45 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1jfg h GLY 72 CO -0.25 0.47 -0.25 1.98 0.00 0.00 0.00 176.54 178.49 1jfg h MET 73 N 0.69 -0.63 0.65 4.80 -1.53 0.23 -0.96 114.93 118.18 1jfg h MET 73 Ca 0.16 0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.44 1jfg h MET 73 Cb 0.28 0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.47 1jfg h MET 73 CO -0.00 -0.42 -0.39 0.28 0.14 0.00 0.00 176.91 176.52 1jfg h VAL 74 N -0.65 0.21 -0.55 -5.77 2.07 -0.82 -1.41 116.25 109.32 1jfg h VAL 74 Ca -0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.56 1jfg h VAL 74 Cb 0.52 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1jfg h VAL 74 CO 0.07 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.38 1jfg h VAL 75 N -0.97 0.71 0.00 2.57 2.07 -1.11 0.25 116.25 119.76 1jfg h VAL 75 Ca -0.08 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1jfg h VAL 75 Cb 0.78 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1jfg h VAL 75 CO 0.09 0.05 -0.36 1.88 0.02 0.00 0.00 177.57 179.25 1jfg h TYR 76 N 0.28 0.00 0.00 1.57 -1.99 -1.09 -3.35 116.97 112.39 1jfg h TYR 76 Ca 0.28 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.73 1jfg h TYR 76 Cb 0.38 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.06 1jfg h TYR 76 CO -0.22 0.36 -2.05 0.43 -0.00 0.00 0.00 178.16 176.68 1jfg n SER 77 N -3.67 1.67 -2.60 3.88 7.64 -0.54 -4.04 113.62 115.96 1jfg n SER 77 Ca -0.01 -0.03 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 1jfg n SER 77 Cb 0.46 0.51 -0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1jfg n SER 77 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1jfg n TRP 78 N -2.71 2.24 0.31 1.43 8.01 0.83 -3.53 117.44 124.01 1jfg n TRP 78 Ca -0.27 -2.16 0.17 0.00 -1.31 0.00 0.00 57.50 53.92 1jfg n TRP 78 Cb 0.95 -1.28 0.88 0.00 -2.01 0.00 0.00 31.31 29.85 1jfg n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1jfg h ALA 79 N 2.82 1.38 -0.01 6.99 0.00 -1.77 -2.64 119.26 126.02 1jfg h ALA 79 Ca 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1jfg h ALA 79 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jfg h ALA 79 CO 1.13 -0.30 -0.63 1.63 0.00 0.00 0.00 179.25 181.08 1jfg n LYS 80 N -3.05 0.80 -2.42 0.00 4.76 -1.26 -4.99 118.16 111.99 1jfg n LYS 80 Ca -0.01 -0.65 -0.26 0.00 -2.87 0.00 0.00 58.31 54.52 1jfg n LYS 80 Cb 0.35 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 32.09 1jfg n LYS 80 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jfg s VAL 81 N -2.65 3.30 0.95 -0.18 -7.23 -1.00 -5.06 120.40 108.52 1jfg s VAL 81 Ca 0.15 -0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1jfg s VAL 81 Cb 0.17 -3.32 0.16 0.00 0.56 0.00 0.00 36.38 33.96 1jfg s VAL 81 CO 0.67 -0.31 1.09 -0.94 -0.31 0.00 0.00 175.10 175.29 1jfg s SER 82 N -4.35 2.94 0.25 4.85 1.04 -1.26 -4.83 113.70 112.33 1jfg s SER 82 Ca 0.55 1.54 -0.05 0.00 0.48 0.00 0.00 55.95 58.48 1jfg s SER 82 Cb -0.11 -2.21 0.29 0.00 0.10 0.00 0.00 66.02 64.09 1jfg s SER 82 CO 0.44 -2.99 1.82 0.11 0.98 0.00 0.00 173.24 173.61 1jfg h LYS 83 N -1.79 1.05 -0.66 4.02 1.57 -1.98 -1.88 116.57 116.90 1jfg h LYS 83 Ca -0.51 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.04 1jfg h LYS 83 Cb 1.29 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1jfg h LYS 83 CO 0.53 0.86 0.24 0.93 -0.57 0.00 0.00 179.45 181.43 1jfg h GLU 84 N 1.03 1.00 -0.70 3.15 4.39 -1.98 -1.53 114.58 119.94 1jfg h GLU 84 Ca 0.24 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1jfg h GLU 84 Cb 0.20 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1jfg h GLU 84 CO -0.02 0.86 0.30 0.00 -1.16 0.00 0.00 179.01 178.99 1jfg h MET 86 N 1.00 1.05 0.07 0.00 2.86 -1.08 -0.52 114.93 118.31 1jfg h MET 86 Ca 0.24 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1jfg h MET 86 Cb 0.18 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1jfg h MET 86 CO -0.02 0.88 -0.04 0.00 1.06 0.00 0.00 176.91 178.79 1jfg h ALA 87 N 1.12 -0.10 -0.37 6.32 0.00 -0.80 0.59 119.26 126.03 1jfg h ALA 87 Ca 0.23 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1jfg h ALA 87 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jfg h ALA 87 CO -0.02 -0.48 -0.21 -0.44 0.00 0.00 0.00 179.25 178.10 1jfg h ASP 88 N -0.24 0.73 -0.29 0.00 3.32 -1.00 -2.29 116.42 116.65 1jfg h ASP 88 Ca -0.01 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.68 1jfg h ASP 88 Cb 0.21 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1jfg h ASP 88 CO 0.02 0.93 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.23 1jfg h LEU 89 N 0.64 0.74 -1.05 1.55 3.38 -1.02 -2.37 115.31 117.17 1jfg h LEU 89 Ca 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1jfg h LEU 89 Cb 0.71 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1jfg h LEU 89 CO 0.05 0.91 0.41 0.28 0.09 0.00 0.00 178.44 180.19 1jfg h SER 90 N 0.66 0.97 -0.29 -0.43 0.02 -0.50 -0.13 113.55 113.85 1jfg h SER 90 Ca 0.10 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1jfg h SER 90 Cb 0.65 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1jfg h SER 90 CO 0.05 0.78 0.03 0.40 -1.14 0.00 0.00 176.83 176.95 1jfg h ILE 91 N 1.08 1.24 -0.20 3.27 2.04 -1.11 -1.76 117.51 122.07 1jfg h ILE 91 Ca 0.27 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1jfg h ILE 91 Cb 0.04 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1jfg h ILE 91 CO -0.04 0.28 0.05 -0.74 0.00 0.00 0.00 178.15 177.70 1jfg h HIS 92 N 0.29 0.33 0.00 1.37 2.76 -1.03 -2.06 115.15 116.82 1jfg h HIS 92 Ca 0.08 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1jfg h HIS 92 Cb 0.38 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1jfg h HIS 92 CO 0.03 0.43 0.00 0.66 -1.30 0.00 0.00 177.93 177.75 1jfg n TYR 93 N -4.78 0.52 0.07 5.26 4.01 -0.10 -1.92 117.16 120.23 1jfg n TYR 93 Ca -0.04 0.19 -0.14 0.00 -0.16 0.00 0.00 57.90 57.75 1jfg n TYR 93 Cb 0.16 -0.81 -0.14 0.00 -0.31 0.00 0.00 39.34 38.25 1jfg n TYR 93 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1jfg h THR 94 N 0.00 1.32 -0.47 -0.72 2.02 -0.96 -2.54 112.91 111.57 1jfg h THR 94 Ca 0.00 -2.97 -0.03 0.00 0.77 0.00 0.00 66.41 64.18 1jfg h THR 94 Cb 0.40 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 1jfg h THR 94 CO 0.00 0.84 0.18 1.88 0.37 0.00 0.00 175.52 178.79 1jfg h TYR 95 N 0.05 0.73 -0.49 3.16 0.05 -0.68 -1.30 116.97 118.50 1jfg h TYR 95 Ca -0.18 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.48 1jfg h TYR 95 Cb 1.96 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 39.47 1jfg h TYR 95 CO 0.05 0.63 0.07 1.79 -1.05 0.00 0.00 178.16 179.65 1jfg h THR 96 N 0.62 1.25 -0.61 -2.88 1.35 -1.46 -2.81 112.91 108.38 1jfg h THR 96 Ca 0.16 -0.94 -0.06 0.00 -0.55 0.00 0.00 66.41 65.02 1jfg h THR 96 Cb 0.21 0.92 -0.03 0.00 -1.73 0.00 0.00 68.15 67.52 1jfg h THR 96 CO -0.01 0.33 0.15 0.25 -0.25 0.00 0.00 175.52 175.99 1jfg h LEU 97 N 0.68 0.88 -2.17 3.87 5.85 -1.31 0.34 115.31 123.46 1jfg h LEU 97 Ca 0.15 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1jfg h LEU 97 Cb 0.41 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1jfg h LEU 97 CO 0.01 0.85 -0.07 0.58 -0.34 0.00 0.00 178.44 179.48 1jfg h VAL 98 N 0.90 0.55 0.07 1.05 2.07 -1.03 -1.53 116.25 118.33 1jfg h VAL 98 Ca 0.20 -0.29 -0.33 0.00 0.82 0.00 0.00 66.70 67.09 1jfg h VAL 98 Cb 0.32 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1jfg h VAL 98 CO -0.00 0.07 -1.87 -0.11 0.02 0.00 0.00 177.57 175.68 1jfg n LEU 99 N -3.74 1.81 -0.25 2.57 7.94 -0.69 -3.63 117.00 121.01 1jfg n LEU 99 Ca -0.02 0.30 0.21 0.00 -1.11 0.00 0.00 56.01 55.39 1jfg n LEU 99 Cb 0.17 -0.51 0.54 0.00 0.53 0.00 0.00 43.42 44.15 1jfg n LEU 99 CO 0.29 0.64 1.23 -0.78 -1.11 0.00 0.00 177.39 177.65 1jfg h ASP 100 N 0.04 0.35 -0.12 1.96 3.58 0.70 0.08 116.42 123.01 1jfg h ASP 100 Ca -0.36 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.13 1jfg h ASP 100 Cb 2.03 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.06 1jfg h ASP 100 CO 0.08 0.13 0.00 0.47 -2.88 0.00 0.00 179.24 177.04 1jfg n ASP 101 N -4.49 2.49 -4.80 2.28 8.00 -1.07 -5.02 116.55 113.93 1jfg n ASP 101 Ca 0.20 -1.71 -0.29 0.00 0.71 0.00 0.00 54.79 53.70 1jfg n ASP 101 Cb 0.77 -0.07 0.12 0.00 -0.02 0.00 0.00 41.12 41.92 1jfg n ASP 101 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1jfg s SER 102 N -1.21 3.77 -0.48 -2.24 0.15 0.01 -5.05 113.70 108.64 1jfg s SER 102 Ca 0.21 0.98 0.04 0.00 0.70 0.00 0.00 55.95 57.87 1jfg s SER 102 Cb 0.14 -1.56 0.16 0.00 -1.71 0.00 0.00 66.02 63.05 1jfg s SER 102 CO 0.20 -2.39 0.35 -0.75 1.20 0.00 0.00 173.24 171.85 1jfg s LYS 103 N -5.31 1.32 0.10 5.44 2.20 -1.26 -5.02 119.74 117.21 1jfg s LYS 103 Ca 0.63 -2.34 0.03 0.00 -0.36 0.00 0.00 55.97 53.93 1jfg s LYS 103 Cb -0.14 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1jfg s LYS 103 CO 0.53 -1.32 -0.09 0.16 -0.36 0.00 0.00 175.35 174.28 1jfg s ASP 104 N -0.19 1.32 -0.28 1.43 -4.77 -1.26 -5.12 116.67 107.80 1jfg s ASP 104 Ca 0.27 -0.87 -0.06 0.00 -3.30 0.00 0.00 52.55 48.59 1jfg s ASP 104 Cb -0.04 0.04 0.00 0.00 -1.09 0.00 0.00 42.92 41.83 1jfg s ASP 104 CO -0.14 -0.33 0.06 -0.62 0.70 0.00 0.00 175.17 174.84 1jfg s ASP 105 N -2.62 5.00 0.31 2.11 2.15 -1.26 -4.91 116.67 117.45 1jfg s ASP 105 Ca 0.07 -0.63 0.17 0.00 0.43 0.00 0.00 52.55 52.59 1jfg s ASP 105 Cb -0.00 -1.86 0.20 0.00 -0.30 0.00 0.00 42.92 40.95 1jfg s ASP 105 CO -0.01 -0.15 1.51 -0.65 -0.17 0.00 0.00 175.17 175.69 1jfg h PRO 106 N 8.21 0.00 -0.74 4.34 0.11 -1.99 -3.42 132.00 138.52 1jfg h PRO 106 Ca -0.33 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.84 1jfg h PRO 106 Cb 1.13 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 1jfg h PRO 106 CO 0.60 0.43 -0.44 0.98 -0.21 0.00 0.00 178.00 179.36 1jfg n TYR 107 N -3.24 -0.32 0.16 0.65 4.19 -1.26 -0.97 117.16 116.36 1jfg n TYR 107 Ca 0.02 0.92 0.12 0.00 3.31 0.00 0.00 57.90 62.27 1jfg n TYR 107 Cb 0.68 -0.55 0.64 0.00 0.49 0.00 0.00 39.34 40.60 1jfg n TYR 107 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1jfg h PRO 108 N 0.00 0.03 -0.01 2.98 0.13 -2.03 -1.26 132.00 131.84 1jfg h PRO 108 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1jfg h PRO 108 Cb 0.30 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.43 1jfg h PRO 108 CO -0.69 0.02 -0.17 0.25 -0.23 0.00 0.00 178.00 177.17 1jfg n THR 109 N -4.49 0.00 0.27 1.56 -2.24 -0.14 -3.93 114.28 105.32 1jfg n THR 109 Ca 0.02 -0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 1jfg n THR 109 Cb 0.26 0.44 0.11 0.00 -2.10 0.00 0.00 70.33 69.03 1jfg n THR 109 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1jfg n MET 110 N -0.37 1.68 -0.08 -0.78 2.81 -0.40 -4.02 117.12 115.96 1jfg n MET 110 Ca 0.14 -1.67 0.00 0.00 -1.81 0.00 0.00 57.70 54.37 1jfg n MET 110 Cb 0.35 -1.30 0.29 0.00 -0.71 0.00 0.00 33.22 31.85 1jfg n MET 110 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1jfg h VAL 111 N 2.68 1.18 -0.29 2.03 2.07 -1.64 -2.91 116.25 119.37 1jfg h VAL 111 Ca 0.00 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1jfg h VAL 111 Cb 0.67 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 1jfg h VAL 111 CO 0.00 0.22 -0.11 0.59 0.02 0.00 0.00 177.57 178.30 1jfg n ASN 112 N -4.35 2.57 0.08 0.57 3.02 -1.26 -4.82 115.26 111.07 1jfg n ASN 112 Ca 0.04 -3.66 -0.12 0.00 -0.03 0.00 0.00 54.58 50.80 1jfg n ASN 112 Cb 0.16 -0.61 -0.05 0.00 -0.61 0.00 0.00 39.78 38.67 1jfg n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1jfg h TYR 113 N 1.06 -0.73 -0.13 3.10 3.20 -1.77 -1.46 116.97 120.23 1jfg h TYR 113 Ca 0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1jfg h TYR 113 Cb 1.54 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 40.13 1jfg h TYR 113 CO 0.90 -0.37 -0.01 0.35 -1.64 0.00 0.00 178.16 177.39 1jfg h PHE 114 N -0.44 0.26 -0.76 -3.82 3.57 -1.87 -1.71 116.94 112.16 1jfg h PHE 114 Ca 0.05 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1jfg h PHE 114 Cb 0.50 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1jfg h PHE 114 CO -0.28 0.50 0.44 -0.44 -2.23 0.00 0.00 178.31 176.29 1jfg h ASP 115 N -0.05 0.93 -0.40 0.41 3.32 -1.92 0.84 116.42 119.54 1jfg h ASP 115 Ca 0.03 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.89 1jfg h ASP 115 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1jfg h ASP 115 CO 0.01 0.73 -0.23 0.44 -1.72 0.00 0.00 179.24 178.47 1jfg h ASP 116 N 1.06 0.94 0.09 6.45 3.32 -1.24 -1.39 116.42 125.66 1jfg h ASP 116 Ca 0.27 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1jfg h ASP 116 Cb -0.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1jfg h ASP 116 CO -0.05 1.13 -0.04 0.25 -1.72 0.00 0.00 179.24 178.80 1jfg h LEU 117 N 0.79 -0.11 -1.62 1.55 5.85 -0.54 -0.57 115.31 120.66 1jfg h LEU 117 Ca 0.10 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1jfg h LEU 117 Cb 0.79 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1jfg h LEU 117 CO 0.07 0.03 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.43 1jfg h GLN 118 N -0.23 0.05 0.00 1.25 5.75 -0.80 -2.59 115.11 118.53 1jfg h GLN 118 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1jfg h GLN 118 Cb 0.19 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1jfg h GLN 118 CO 0.02 0.20 -0.56 0.00 -2.65 0.00 0.00 178.83 175.84 1jfg n ALA 119 N -2.50 2.97 -1.13 3.38 0.00 -0.53 -4.96 120.51 117.74 1jfg n ALA 119 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1jfg n ALA 119 Cb 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1jfg n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfg n GLY 120 N 1.37 0.58 3.88 0.00 0.00 -0.36 -5.06 105.19 105.61 1jfg n GLY 120 Ca 0.04 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1jfg n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfg s ARG 121 N -2.33 3.64 0.34 1.61 0.52 -0.40 -5.04 118.95 117.28 1jfg s ARG 121 Ca 0.00 -0.01 -0.28 0.00 -0.52 0.00 0.00 55.73 54.91 1jfg s ARG 121 Cb 0.00 -3.02 -0.12 0.00 0.52 0.00 0.00 34.95 32.33 1jfg s ARG 121 CO 0.00 0.59 1.40 -1.91 0.02 0.00 0.00 175.30 175.40 1jfg n GLU 122 N 0.88 2.36 -2.00 3.54 2.13 -1.26 -4.49 120.64 121.79 1jfg n GLU 122 Ca -0.09 0.83 -0.36 0.00 0.66 0.00 0.00 57.16 58.20 1jfg n GLU 122 Cb 0.52 -2.49 0.03 0.00 0.27 0.00 0.00 31.44 29.78 1jfg n GLU 122 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1jfg s GLN 123 N -1.69 2.96 0.16 5.31 -1.52 -1.26 -4.95 119.66 118.67 1jfg s GLN 123 Ca 0.57 1.83 -0.06 0.00 -1.95 0.00 0.00 55.36 55.75 1jfg s GLN 123 Cb -0.54 -1.93 0.03 0.00 -0.22 0.00 0.00 33.01 30.35 1jfg s GLN 123 CO 0.60 -1.22 1.46 0.00 -0.25 0.00 0.00 175.29 175.88 1jfg h ALA 124 N 0.87 0.59 -2.30 6.09 0.00 -1.92 -3.42 119.26 119.17 1jfg h ALA 124 Ca -0.50 -0.52 -0.55 0.00 0.00 0.00 0.00 54.91 53.33 1jfg h ALA 124 Cb 1.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1jfg h ALA 124 CO 0.55 0.69 0.81 -1.58 0.00 0.00 0.00 179.25 179.72 1jfg s HIS 125 N -4.01 2.92 0.43 0.00 5.04 -1.26 -4.91 115.29 113.50 1jfg s HIS 125 Ca -0.09 0.96 0.11 0.00 -1.54 0.00 0.00 55.06 54.50 1jfg s HIS 125 Cb 0.11 -3.56 0.96 0.00 0.04 0.00 0.00 32.58 30.13 1jfg s HIS 125 CO 0.86 -1.97 2.04 -1.00 -2.34 0.00 0.00 174.74 172.33 1jfg h PRO 126 N 7.86 0.44 -0.20 2.88 0.13 -1.88 -1.74 132.00 139.49 1jfg h PRO 126 Ca -0.34 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1jfg h PRO 126 Cb 1.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1jfg h PRO 126 CO 0.91 0.29 0.11 2.35 -0.23 0.00 0.00 178.00 181.43 1jfg h TRP 127 N 0.45 0.27 -0.56 1.56 7.01 -1.91 -1.88 115.95 120.89 1jfg h TRP 127 Ca 0.19 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 1jfg h TRP 127 Cb 0.19 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.13 1jfg h TRP 127 CO -0.00 0.24 0.19 -1.49 -2.79 0.00 0.00 178.44 174.59 1jfg h TRP 128 N 0.22 0.84 -0.75 2.65 -0.00 -1.82 0.14 115.95 117.23 1jfg h TRP 128 Ca 0.07 -0.06 0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1jfg h TRP 128 Cb 0.05 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 28.92 1jfg h TRP 128 CO -0.04 0.67 0.49 0.00 -0.00 0.00 0.00 178.44 179.56 1jfg h ALA 129 N 1.40 0.95 0.07 1.49 0.00 -0.82 -1.22 119.26 121.13 1jfg h ALA 129 Ca 0.19 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1jfg h ALA 129 Cb 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jfg h ALA 129 CO -0.01 0.37 -0.57 -0.07 0.00 0.00 0.00 179.25 178.97 1jfg h LEU 130 N 1.02 0.37 -0.29 0.00 3.38 -1.01 -3.05 115.31 115.73 1jfg h LEU 130 Ca 0.27 -0.90 0.02 0.00 0.09 0.00 0.00 57.88 57.36 1jfg h LEU 130 Cb -0.11 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1jfg h LEU 130 CO -0.06 1.24 0.16 0.58 0.09 0.00 0.00 178.44 180.45 1jfg h VAL 131 N -0.44 1.01 -0.01 1.22 2.07 -0.94 -1.13 116.25 118.03 1jfg h VAL 131 Ca -0.09 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1jfg h VAL 131 Cb 1.39 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1jfg h VAL 131 CO 0.11 0.06 -0.51 0.78 0.02 0.00 0.00 177.57 178.03 1jfg h ASN 132 N 0.33 0.04 0.11 0.57 2.35 -1.37 0.32 115.58 117.91 1jfg h ASN 132 Ca 0.12 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 1jfg h ASN 132 Cb 0.02 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1jfg h ASN 132 CO -0.07 0.54 -0.46 -0.08 -1.65 0.00 0.00 177.43 175.72 1jfg h GLU 133 N 0.03 0.42 0.00 0.81 4.81 -1.37 -3.23 114.58 116.05 1jfg h GLU 133 Ca -0.00 -0.23 -0.21 0.00 -0.13 0.00 0.00 59.36 58.79 1jfg h GLU 133 Cb 0.92 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.27 1jfg h GLU 133 CO 0.07 0.80 -1.34 1.25 -0.73 0.00 0.00 179.01 179.05 1jfg h HIS 134 N 0.34 0.00 -0.91 0.92 2.76 -0.86 -3.41 115.15 114.00 1jfg h HIS 134 Ca 0.02 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.37 1jfg h HIS 134 Cb 0.94 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.73 1jfg h HIS 134 CO 0.03 0.77 -0.23 0.34 -1.30 0.00 0.00 177.93 177.53 1jfg n PHE 135 N -3.05 0.31 -0.28 5.26 -0.00 0.11 -0.80 117.46 119.01 1jfg n PHE 135 Ca -0.09 1.11 0.34 0.00 -0.00 0.00 0.00 57.45 58.80 1jfg n PHE 135 Cb 0.91 -1.02 0.75 0.00 -0.00 0.00 0.00 39.48 40.12 1jfg n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1jfg h PRO 136 N 0.00 0.00 0.00 -7.13 0.11 -1.79 0.82 132.00 124.01 1jfg h PRO 136 Ca 0.43 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.49 1jfg h PRO 136 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1jfg h PRO 136 CO -0.93 0.00 -0.22 -0.91 -0.21 0.00 0.00 178.00 175.72 1jfg h ASN 137 N 0.00 0.00 0.05 -2.05 -0.26 -1.29 -1.76 115.58 110.26 1jfg h ASN 137 Ca 0.53 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 56.02 1jfg h ASN 137 Cb 2.13 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.36 1jfg h ASN 137 CO -0.01 0.22 -1.32 0.58 -1.06 0.00 0.00 177.43 175.84 1jfg h VAL 138 N 0.00 0.96 0.00 2.81 2.07 0.46 -3.39 116.25 119.16 1jfg h VAL 138 Ca -0.00 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 1jfg h VAL 138 Cb 0.60 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1jfg h VAL 138 CO 0.03 0.52 -0.15 -0.07 0.02 0.00 0.00 177.57 177.92 1jfg h LEU 139 N -0.66 0.00 -2.91 2.57 3.38 -1.01 -2.80 115.31 113.88 1jfg h LEU 139 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1jfg h LEU 139 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1jfg h LEU 139 CO -0.08 0.15 0.03 0.08 0.09 0.00 0.00 178.44 178.71 1jfg h ARG 140 N 0.00 0.00 -0.00 1.13 0.11 -1.51 -0.44 114.38 113.67 1jfg h ARG 140 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jfg h ARG 140 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1jfg h ARG 140 CO 0.02 0.00 -0.13 0.72 0.10 0.00 0.00 179.97 180.68 1jfg n HIS 141 N -3.06 0.00 -4.33 4.08 8.25 -1.06 -4.93 115.22 114.18 1jfg n HIS 141 Ca -0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.26 1jfg n HIS 141 Cb 0.10 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 30.87 1jfg n HIS 141 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jfg s PHE 142 N -2.59 1.59 0.91 4.41 0.40 -0.18 -1.14 117.98 121.38 1jfg s PHE 142 Ca 0.25 -0.71 -0.14 0.00 -0.60 0.00 0.00 56.93 55.74 1jfg s PHE 142 Cb 0.20 -0.81 0.15 0.00 0.51 0.00 0.00 43.02 43.06 1jfg s PHE 142 CO 0.50 0.20 1.21 0.20 0.70 0.00 0.00 175.22 178.03 1jfg s GLY 143 N -3.29 1.65 0.26 4.36 0.00 -1.26 -4.79 107.32 104.24 1jfg s GLY 143 Ca 0.23 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 1jfg s GLY 143 CO 0.06 -0.19 1.87 -0.56 0.00 0.00 0.00 173.10 174.27 1jfg h PRO 144 N -1.46 1.06 0.03 2.90 0.13 -1.99 -1.33 132.00 131.35 1jfg h PRO 144 Ca -0.46 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1jfg h PRO 144 Cb 1.30 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1jfg h PRO 144 CO 0.54 0.70 -0.01 0.35 -0.23 0.00 0.00 178.00 179.35 1jfg h PHE 145 N 1.09 -0.04 -0.87 1.56 3.57 -1.98 -1.62 116.94 118.66 1jfg h PHE 145 Ca 0.43 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 1jfg h PHE 145 Cb 0.22 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1jfg h PHE 145 CO -0.01 0.27 0.43 0.00 -2.23 0.00 0.00 178.31 176.77 1jfg h SER 147 N 1.23 0.64 -0.84 0.00 0.02 -1.13 -0.94 113.55 112.52 1jfg h SER 147 Ca 0.30 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 1jfg h SER 147 Cb 0.10 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1jfg h SER 147 CO -0.04 0.42 0.56 0.25 -1.14 0.00 0.00 176.83 176.88 1jfg h LEU 148 N 0.77 0.94 -0.58 5.07 5.85 -0.88 -1.37 115.31 125.11 1jfg h LEU 148 Ca 0.31 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 1jfg h LEU 148 Cb 0.15 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1jfg h LEU 148 CO -0.16 0.67 -0.02 0.78 -0.34 0.00 0.00 178.44 179.36 1jfg h ASN 149 N 1.10 1.02 -0.44 1.25 2.35 -0.89 -1.42 115.58 118.54 1jfg h ASN 149 Ca 0.32 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1jfg h ASN 149 Cb -0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1jfg h ASN 149 CO -0.08 1.09 0.09 -0.07 -1.65 0.00 0.00 177.43 176.81 1jfg h LEU 150 N 0.93 0.68 -0.29 1.61 4.07 -0.71 -2.04 115.31 119.57 1jfg h LEU 150 Ca 0.16 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 1jfg h LEU 150 Cb 0.58 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1jfg h LEU 150 CO 0.03 0.75 0.18 0.40 -1.08 0.00 0.00 178.44 178.72 1jfg h ILE 151 N 0.59 1.09 -0.23 1.22 2.04 -1.13 -2.25 117.51 118.84 1jfg h ILE 151 Ca 0.14 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1jfg h ILE 151 Cb 0.34 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1jfg h ILE 151 CO 0.00 0.09 0.08 0.03 0.00 0.00 0.00 178.15 178.35 1jfg h ARG 152 N 0.37 0.36 -0.19 2.37 3.08 -1.19 -2.31 114.38 116.86 1jfg h ARG 152 Ca 0.10 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1jfg h ARG 152 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1jfg h ARG 152 CO -0.02 0.44 0.00 1.03 -1.07 0.00 0.00 179.97 180.35 1jfg h SER 153 N 0.21 0.25 0.16 7.04 0.87 -1.31 0.68 113.55 121.45 1jfg h SER 153 Ca 0.07 -0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 60.41 1jfg h SER 153 Cb 0.23 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1jfg h SER 153 CO -0.00 0.30 -0.75 0.74 -0.53 0.00 0.00 176.83 176.58 1jfg h THR 154 N 0.27 1.35 -0.57 2.23 2.02 -1.26 -1.15 112.91 115.80 1jfg h THR 154 Ca 0.07 -2.12 -0.10 0.00 0.77 0.00 0.00 66.41 65.03 1jfg h THR 154 Cb 0.19 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1jfg h THR 154 CO 0.00 0.64 -0.04 0.25 0.37 0.00 0.00 175.52 176.74 1jfg h LEU 155 N 0.34 1.03 -0.01 2.58 5.85 -0.73 -2.33 115.31 122.03 1jfg h LEU 155 Ca -0.04 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1jfg h LEU 155 Cb 1.35 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1jfg h LEU 155 CO 0.14 1.11 0.01 0.44 -0.34 0.00 0.00 178.44 179.79 1jfg h ASP 156 N 0.93 0.02 -0.77 1.25 3.32 -0.78 -2.91 116.42 117.48 1jfg h ASP 156 Ca 0.16 -0.12 0.16 0.00 0.02 0.00 0.00 57.03 57.24 1jfg h ASP 156 Cb 0.61 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 1jfg h ASP 156 CO 0.04 0.14 0.28 0.15 -1.72 0.00 0.00 179.24 178.13 1jfg h PHE 157 N -0.10 0.48 -0.42 4.55 3.57 -0.38 0.49 116.94 125.14 1jfg h PHE 157 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1jfg h PHE 157 Cb 0.12 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1jfg h PHE 157 CO -0.04 0.01 0.24 0.35 -2.23 0.00 0.00 178.31 176.65 1jfg h PHE 158 N 0.40 0.45 -0.32 0.41 3.57 -1.24 -0.88 116.94 119.33 1jfg h PHE 158 Ca 0.43 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.89 1jfg h PHE 158 Cb 0.70 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1jfg h PHE 158 CO -0.18 0.26 -0.07 1.49 -2.23 0.00 0.00 178.31 177.57 1jfg h GLU 159 N 0.49 0.52 -0.36 1.11 4.81 -0.95 -1.85 114.58 118.33 1jfg h GLU 159 Ca 0.17 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1jfg h GLU 159 Cb 0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1jfg h GLU 159 CO -0.08 0.60 0.18 0.78 -0.73 0.00 0.00 179.01 179.75 1jfg h GLY 160 N 0.89 0.56 1.47 1.92 0.00 -0.11 -0.27 103.07 107.53 1jfg h GLY 160 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1jfg h GLY 160 CO 0.02 0.26 0.16 0.00 0.00 0.00 0.00 176.54 176.99 1jfg h TRP 162 N 0.67 -0.50 -0.80 0.00 2.91 -0.83 -2.71 115.95 114.68 1jfg h TRP 162 Ca 0.16 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.23 1jfg h TRP 162 Cb 0.18 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 28.93 1jfg h TRP 162 CO 0.01 -0.24 0.48 0.82 -1.03 0.00 0.00 178.44 178.48 1jfg h ILE 163 N -0.68 1.01 0.00 2.65 2.04 -0.82 -1.81 117.51 119.89 1jfg h ILE 163 Ca -0.06 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1jfg h ILE 163 Cb 0.49 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1jfg h ILE 163 CO 0.09 0.16 0.00 -0.33 0.00 0.00 0.00 178.15 178.07 1jfg h GLU 164 N 0.87 0.00 0.00 2.37 5.08 -0.98 -2.50 114.58 119.41 1jfg h GLU 164 Ca 0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1jfg h GLU 164 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jfg h GLU 164 CO -0.18 0.00 -0.09 1.96 -1.00 0.00 0.00 179.01 179.70 1jfg h GLN 165 N 0.00 0.00 0.00 2.33 1.08 -1.00 -1.32 115.11 116.19 1jfg h GLN 165 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jfg h GLN 165 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1jfg h GLN 165 CO 0.00 0.09 0.00 0.66 -0.95 0.00 0.00 178.83 178.63 1jfg n TYR 166 N -3.76 0.00 -4.26 2.96 4.02 -0.94 -4.91 117.16 110.27 1jfg n TYR 166 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.55 1jfg n TYR 166 Cb 0.19 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.44 1jfg n TYR 166 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jfg n ASN 167 N -0.95 0.10 -4.49 7.72 5.15 -0.50 -4.92 115.26 117.36 1jfg n ASN 167 Ca 0.22 -1.20 -0.35 0.00 -0.60 0.00 0.00 54.58 52.65 1jfg n ASN 167 Cb 0.10 -2.00 -0.12 0.00 -0.53 0.00 0.00 39.78 37.23 1jfg n ASN 167 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1jfg s PHE 168 N -4.09 3.07 -2.30 1.20 5.36 -1.26 -4.98 117.98 114.97 1jfg s PHE 168 Ca 0.14 -0.34 0.23 0.00 -0.96 0.00 0.00 56.93 56.00 1jfg s PHE 168 Cb -0.08 -2.08 0.51 0.00 -0.34 0.00 0.00 43.02 41.03 1jfg s PHE 168 CO 0.97 -0.16 1.45 0.41 -1.46 0.00 0.00 175.22 176.44 1jfg n GLY 169 N 4.09 2.02 0.00 13.12 0.00 -1.26 -4.99 105.19 118.18 1jfg n GLY 169 Ca -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1jfg n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfg n GLY 170 N 1.57 2.26 3.77 -0.02 0.00 -1.26 -4.22 105.19 107.29 1jfg n GLY 170 Ca 0.21 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 1jfg n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfg s PHE 171 N -1.71 3.27 0.16 1.61 0.08 -1.26 -4.43 117.98 115.70 1jfg s PHE 171 Ca 0.00 1.58 -0.33 0.00 0.12 0.00 0.00 56.93 58.30 1jfg s PHE 171 Cb 0.00 -3.42 -0.12 0.00 -0.57 0.00 0.00 43.02 38.91 1jfg s PHE 171 CO 0.00 -1.13 1.71 -2.30 -0.10 0.00 0.00 175.22 173.39 1jfg n PRO 172 N 0.71 2.55 -0.00 0.24 -0.02 -1.26 -0.93 135.00 136.29 1jfg n PRO 172 Ca 0.01 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1jfg n PRO 172 Cb 0.45 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1jfg n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jfg n GLY 173 N 3.86 0.17 2.86 -1.23 0.00 0.30 -4.99 105.19 106.17 1jfg n GLY 173 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1jfg n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfg n SER 174 N 0.00 5.60 0.16 1.61 2.88 -0.10 -4.84 113.62 118.93 1jfg n SER 174 Ca 0.00 -3.19 0.17 0.00 -1.33 0.00 0.00 58.87 54.53 1jfg n SER 174 Cb 0.00 -1.42 0.77 0.00 -0.75 0.00 0.00 64.21 62.81 1jfg n SER 174 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1jfg h HIS 175 N 5.56 0.00 -0.00 0.66 3.86 -1.86 -2.10 115.15 121.28 1jfg h HIS 175 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1jfg h HIS 175 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 1jfg h HIS 175 CO 1.23 0.00 -0.18 -0.25 0.86 0.00 0.00 177.93 179.59 1jfg n ASP 176 N -3.99 0.54 0.18 2.45 8.00 -1.26 -4.36 116.55 118.11 1jfg n ASP 176 Ca 0.03 -0.49 -0.14 0.00 0.71 0.00 0.00 54.79 54.91 1jfg n ASP 176 Cb 0.39 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.38 1jfg n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1jfg h TYR 177 N 0.56 -0.43 -0.86 1.24 3.20 -1.79 -3.02 116.97 115.87 1jfg h TYR 177 Ca 0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 1jfg h TYR 177 Cb 0.42 0.14 -0.10 0.00 1.54 0.00 0.00 36.73 38.73 1jfg h TYR 177 CO 0.00 -0.12 -0.52 -1.35 -1.64 0.00 0.00 178.16 174.54 1jfg h PRO 178 N -0.76 -0.01 0.00 1.82 0.11 -1.78 0.06 132.00 131.45 1jfg h PRO 178 Ca -0.05 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 1jfg h PRO 178 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1jfg h PRO 178 CO 0.08 -0.01 -0.37 1.96 -0.21 0.00 0.00 178.00 179.46 1jfg h GLN 179 N -0.01 0.00 0.07 1.05 4.20 -1.86 -1.22 115.11 117.35 1jfg h GLN 179 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1jfg h GLN 179 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1jfg h GLN 179 CO -0.82 0.37 -0.07 0.35 -0.67 0.00 0.00 178.83 177.99 1jfg h PHE 180 N 0.00 -0.18 -0.40 2.96 3.57 -1.02 -1.40 116.94 120.47 1jfg h PHE 180 Ca -0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1jfg h PHE 180 Cb 0.89 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1jfg h PHE 180 CO 0.00 -0.11 -0.21 1.25 -2.23 0.00 0.00 178.31 177.00 1jfg h LEU 181 N -0.16 0.88 -1.48 0.59 5.85 -0.85 -2.77 115.31 117.37 1jfg h LEU 181 Ca 0.00 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1jfg h LEU 181 Cb 0.16 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1jfg h LEU 181 CO -0.02 1.10 0.36 -0.09 -0.34 0.00 0.00 178.44 179.45 1jfg h ARG 182 N 0.66 0.70 -0.09 1.25 9.65 -1.08 -1.41 114.38 124.07 1jfg h ARG 182 Ca 0.09 -0.04 -0.21 0.00 -1.10 0.00 0.00 59.98 58.72 1jfg h ARG 182 Cb 0.77 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1jfg h ARG 182 CO 0.06 0.46 -0.80 0.00 2.80 0.00 0.00 179.97 182.49 1jfg h ARG 183 N 0.72 0.56 -0.32 0.20 3.08 -1.20 -0.59 114.38 116.83 1jfg h ARG 183 Ca 0.20 -0.49 0.06 0.00 0.07 0.00 0.00 59.98 59.82 1jfg h ARG 183 Cb -0.05 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1jfg h ARG 183 CO -0.05 1.11 -0.01 0.52 -1.07 0.00 0.00 179.97 180.48 1jfg h MET 184 N 0.37 0.08 -0.02 0.04 2.86 -0.99 -3.02 114.93 114.25 1jfg h MET 184 Ca -0.05 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1jfg h MET 184 Cb 1.41 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.05 1jfg h MET 184 CO 0.15 0.05 -0.13 0.27 1.06 0.00 0.00 176.91 178.31 1jfg n ASN 185 N -5.18 2.14 0.19 1.22 0.23 -0.79 -1.77 115.26 111.30 1jfg n ASN 185 Ca 0.01 -1.62 0.06 0.00 -0.53 0.00 0.00 54.58 52.49 1jfg n ASN 185 Cb 0.17 0.12 0.33 0.00 -2.08 0.00 0.00 39.78 38.31 1jfg n ASN 185 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1jfg h GLY 186 N 4.81 0.00 -1.85 4.83 0.00 -0.96 -3.47 103.07 106.42 1jfg h GLY 186 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1jfg h GLY 186 CO 0.00 0.00 -0.39 1.04 0.00 0.00 0.00 176.54 177.19 1jfg n LEU 187 N -3.52 -1.59 -0.06 3.11 4.77 -1.26 -4.90 117.00 113.55 1jfg n LEU 187 Ca -0.00 0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1jfg n LEU 187 Cb 0.51 -2.47 -0.02 0.00 -2.33 0.00 0.00 43.42 39.12 1jfg n LEU 187 CO 0.37 -0.43 0.82 1.23 -1.33 0.00 0.00 177.39 178.04 1jfg h GLY 188 N 0.00 0.17 2.00 -0.72 0.00 -1.86 -0.04 103.07 102.62 1jfg h GLY 188 Ca -0.38 0.08 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1jfg h GLY 188 CO 0.49 -0.10 -0.34 0.45 0.00 0.00 0.00 176.54 177.04 1jfg h HIS 189 N -0.01 0.00 -0.04 5.60 3.86 -1.88 0.39 115.15 123.08 1jfg h HIS 189 Ca 0.12 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1jfg h HIS 189 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1jfg h HIS 189 CO -0.25 0.34 -0.07 0.00 0.86 0.00 0.00 177.93 178.81 1jfg h VAL 191 N -0.41 0.69 -0.67 0.00 2.07 -0.96 -1.42 116.25 115.55 1jfg h VAL 191 Ca 0.00 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.29 1jfg h VAL 191 Cb 0.65 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1jfg h VAL 191 CO 0.02 0.06 0.32 1.23 0.02 0.00 0.00 177.57 179.22 1jfg h GLY 192 N -0.62 0.98 2.00 2.17 0.00 -0.99 -2.55 103.07 104.05 1jfg h GLY 192 Ca -0.05 -0.20 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 1jfg h GLY 192 CO 0.07 0.05 -0.82 0.00 0.00 0.00 0.00 176.54 175.85 1jfg h ALA 193 N 1.41 0.57 0.00 3.60 0.00 -1.33 -3.20 119.26 120.32 1jfg h ALA 193 Ca 0.32 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jfg h ALA 193 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jfg h ALA 193 CO -0.26 1.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.88 1jfg n SER 194 N -3.46 0.00 -0.07 0.00 3.41 -0.54 -2.48 113.62 110.49 1jfg n SER 194 Ca -0.00 -0.55 0.15 0.00 -0.26 0.00 0.00 58.87 58.21 1jfg n SER 194 Cb 0.81 -0.04 0.70 0.00 -0.26 0.00 0.00 64.21 65.42 1jfg n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jfg n LEU 195 N -1.04 0.28 -3.42 1.04 4.77 -1.18 -4.52 117.00 112.93 1jfg n LEU 195 Ca 0.14 0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.95 1jfg n LEU 195 Cb 0.08 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 1jfg n LEU 195 CO 0.12 0.05 -0.01 0.79 -1.33 0.00 0.00 177.39 177.01 1jfg n TRP 196 N -1.05 2.77 -1.78 -1.77 7.02 -1.03 -4.99 117.44 116.60 1jfg n TRP 196 Ca 0.16 -4.04 -0.40 0.00 -1.02 0.00 0.00 57.50 52.19 1jfg n TRP 196 Cb 0.25 -0.51 0.01 0.00 -2.42 0.00 0.00 31.31 28.64 1jfg n TRP 196 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 1jfg s PRO 197 N -2.09 3.89 0.27 -0.99 0.02 -1.26 -4.73 135.00 130.10 1jfg s PRO 197 Ca 0.37 2.52 0.22 0.00 0.02 0.00 0.00 61.00 64.14 1jfg s PRO 197 Cb 0.13 -2.82 1.01 0.00 0.02 0.00 0.00 34.50 32.85 1jfg s PRO 197 CO -0.05 -0.69 1.68 0.36 -0.33 0.00 0.00 177.00 177.97 1jfg n LYS 198 N 0.13 0.17 0.14 5.54 2.85 -0.29 -0.75 118.16 125.95 1jfg n LYS 198 Ca 0.03 0.49 0.01 0.00 -1.05 0.00 0.00 58.31 57.78 1jfg n LYS 198 Cb 0.40 -1.88 0.31 0.00 -0.65 0.00 0.00 35.03 33.21 1jfg n LYS 198 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1jfg h GLU 199 N 0.00 0.14 0.00 -1.58 4.81 -1.89 -3.31 114.58 112.75 1jfg h GLU 199 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1jfg h GLU 199 Cb 0.24 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 1jfg h GLU 199 CO 0.00 0.47 -1.34 1.04 -0.73 0.00 0.00 179.01 178.45 1jfg n GLN 200 N -4.10 0.75 -4.45 1.92 3.00 -0.68 -5.04 117.38 108.77 1jfg n GLN 200 Ca -0.01 -0.05 -0.20 0.00 -0.01 0.00 0.00 57.00 56.72 1jfg n GLN 200 Cb 0.41 -1.16 -0.14 0.00 0.00 0.00 0.00 30.24 29.34 1jfg n GLN 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1jfg s PHE 201 N -2.41 1.07 -0.42 1.08 0.40 0.07 -5.03 117.98 112.73 1jfg s PHE 201 Ca -0.03 -0.24 -0.20 0.00 -0.60 0.00 0.00 56.93 55.86 1jfg s PHE 201 Cb 0.04 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.92 1jfg s PHE 201 CO 0.28 -0.01 0.62 1.21 0.70 0.00 0.00 175.22 178.03 1jfg s ASN 202 N -0.53 6.33 0.35 1.36 3.84 -1.26 -4.14 114.94 120.89 1jfg s ASN 202 Ca 0.03 -0.30 0.10 0.00 0.21 0.00 0.00 52.86 52.90 1jfg s ASN 202 Cb -0.05 -2.31 0.84 0.00 -0.55 0.00 0.00 41.25 39.18 1jfg s ASN 202 CO 0.00 -0.74 1.84 -0.08 -2.79 0.00 0.00 177.10 175.33 1jfg h GLU 203 N 8.81 0.65 0.14 0.43 4.81 -1.93 -0.87 114.58 126.62 1jfg h GLU 203 Ca -0.26 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 58.64 1jfg h GLU 203 Cb 1.10 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.34 1jfg h GLU 203 CO 0.88 0.43 -1.34 0.00 -0.73 0.00 0.00 179.01 178.24 1jfg h ARG 204 N 0.67 0.30 -0.01 1.92 3.08 -1.98 -1.92 114.38 116.44 1jfg h ARG 204 Ca 0.49 -0.52 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1jfg h ARG 204 Cb 0.86 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1jfg h ARG 204 CO -0.25 1.23 -0.57 0.77 -1.07 0.00 0.00 179.97 180.08 1jfg h SER 205 N 0.08 0.04 -0.17 7.04 0.02 -1.84 -3.20 113.55 115.52 1jfg h SER 205 Ca -0.18 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 1jfg h SER 205 Cb 2.01 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 64.50 1jfg h SER 205 CO 0.20 0.60 -0.18 0.18 -1.14 0.00 0.00 176.83 176.50 1jfg n LEU 206 N -3.87 3.37 -0.23 5.07 4.77 -0.38 -4.79 117.00 120.94 1jfg n LEU 206 Ca -0.01 -3.59 0.04 0.00 -0.03 0.00 0.00 56.01 52.41 1jfg n LEU 206 Cb 0.58 -0.56 0.16 0.00 -2.33 0.00 0.00 43.42 41.27 1jfg n LEU 206 CO 0.42 1.13 0.94 0.15 -1.33 0.00 0.00 177.39 178.69 1jfg h PHE 207 N 0.94 0.28 -0.31 -1.77 3.57 -1.34 0.10 116.94 118.42 1jfg h PHE 207 Ca 0.09 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1jfg h PHE 207 Cb 1.32 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1jfg h PHE 207 CO 0.70 -0.05 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.58 1jfg h LEU 208 N 0.29 0.60 -0.56 0.59 3.38 -1.87 -0.88 115.31 116.87 1jfg h LEU 208 Ca 0.38 -0.36 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1jfg h LEU 208 Cb 0.62 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1jfg h LEU 208 CO -0.46 0.83 -0.27 1.05 0.09 0.00 0.00 178.44 179.67 1jfg h GLU 209 N 0.37 0.87 -0.30 1.13 9.09 -1.79 -1.45 114.58 122.49 1jfg h GLU 209 Ca 0.08 -0.39 -0.05 0.00 0.05 0.00 0.00 59.36 59.05 1jfg h GLU 209 Cb 0.56 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1jfg h GLU 209 CO 0.03 1.03 0.00 0.82 0.05 0.00 0.00 179.01 180.95 1jfg h ILE 210 N 0.74 1.26 -0.71 -1.06 2.04 -0.79 0.11 117.51 119.10 1jfg h ILE 210 Ca 0.09 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1jfg h ILE 210 Cb 0.82 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1jfg h ILE 210 CO 0.07 0.30 0.39 0.74 0.00 0.00 0.00 178.15 179.66 1jfg h THR 211 N 0.33 1.22 -0.60 -0.27 2.02 -1.12 -0.83 112.91 113.67 1jfg h THR 211 Ca 0.09 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 1jfg h THR 211 Cb 0.44 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1jfg h THR 211 CO 0.02 0.24 0.08 0.28 0.37 0.00 0.00 175.52 176.51 1jfg h SER 212 N 0.97 0.96 -0.49 4.18 0.02 -1.07 -1.76 113.55 116.36 1jfg h SER 212 Ca 0.25 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1jfg h SER 212 Cb 0.03 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1jfg h SER 212 CO -0.04 0.98 0.07 0.00 -1.14 0.00 0.00 176.83 176.71 1jfg h ALA 213 N 1.01 1.10 -0.32 3.77 0.00 -0.39 -1.09 119.26 123.33 1jfg h ALA 213 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jfg h ALA 213 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jfg h ALA 213 CO 0.01 0.59 0.15 0.82 0.00 0.00 0.00 179.25 180.82 1jfg h ILE 214 N 0.83 1.16 -0.48 0.00 2.04 -0.86 0.42 117.51 120.63 1jfg h ILE 214 Ca 0.17 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1jfg h ILE 214 Cb 0.39 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1jfg h ILE 214 CO 0.01 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.53 1jfg h ALA 215 N 1.00 0.62 0.22 1.87 0.00 -1.03 -2.02 119.26 119.92 1jfg h ALA 215 Ca 0.11 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1jfg h ALA 215 Cb 0.13 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jfg h ALA 215 CO -0.01 0.23 -1.55 1.96 0.00 0.00 0.00 179.25 179.87 1jfg h GLN 216 N 0.64 0.46 0.00 0.00 4.20 -1.13 -3.31 115.11 115.97 1jfg h GLN 216 Ca 0.16 -0.79 -0.03 0.00 0.06 0.00 0.00 58.65 58.05 1jfg h GLN 216 Cb 0.18 0.30 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1jfg h GLN 216 CO -0.01 1.37 -0.13 1.98 -0.67 0.00 0.00 178.83 181.37 1jfg h MET 217 N 0.13 0.00 0.12 1.46 4.05 -0.20 -2.72 114.93 117.77 1jfg h MET 217 Ca -0.27 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.16 1jfg h MET 217 Cb 2.13 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.91 1jfg h MET 217 CO 0.24 0.13 -0.17 1.49 0.23 0.00 0.00 176.91 178.82 1jfg h GLU 218 N 0.00 -0.34 -0.03 0.39 4.81 -1.44 -1.93 114.58 116.04 1jfg h GLU 218 Ca -0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1jfg h GLU 218 Cb 0.51 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1jfg h GLU 218 CO 0.02 -0.22 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.06 1jfg h ASN 219 N -0.35 0.13 -0.34 1.04 2.35 -1.70 -2.90 115.58 113.81 1jfg h ASN 219 Ca 0.02 -0.64 0.07 0.00 -0.55 0.00 0.00 56.30 55.20 1jfg h ASN 219 Cb 0.35 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.60 1jfg h ASN 219 CO -0.08 0.75 -0.31 -0.25 -1.65 0.00 0.00 177.43 175.89 1jfg h TRP 220 N -0.48 -0.85 -0.25 1.19 7.01 -1.51 -0.60 115.95 120.47 1jfg h TRP 220 Ca -0.01 0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.11 1jfg h TRP 220 Cb 0.74 0.42 -0.07 0.00 -2.10 0.00 0.00 29.16 28.16 1jfg h TRP 220 CO 0.14 -0.37 -0.24 1.98 -2.79 0.00 0.00 178.44 177.16 1jfg h MET 221 N -0.27 -0.23 -0.29 2.65 4.05 -1.44 -0.22 114.93 119.18 1jfg h MET 221 Ca 0.16 0.02 -0.17 0.00 -0.28 0.00 0.00 59.70 59.42 1jfg h MET 221 Cb 0.53 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1jfg h MET 221 CO -0.49 -0.16 -0.51 -0.39 0.23 0.00 0.00 176.91 175.60 1jfg h VAL 222 N -0.24 1.28 -0.40 -5.77 -1.51 -1.27 -2.80 116.25 105.54 1jfg h VAL 222 Ca 0.14 -1.70 -0.13 0.00 -1.23 0.00 0.00 66.70 63.78 1jfg h VAL 222 Cb 0.46 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1jfg h VAL 222 CO -0.39 0.55 -0.27 -0.50 -1.23 0.00 0.00 177.57 175.74 1jfg h TRP 223 N 0.64 0.97 -0.54 5.19 6.55 -1.01 -0.48 115.95 127.28 1jfg h TRP 223 Ca 0.02 -0.24 0.00 0.00 0.95 0.00 0.00 58.89 59.62 1jfg h TRP 223 Cb 1.10 -0.22 -0.03 0.00 -0.86 0.00 0.00 29.16 29.15 1jfg h TRP 223 CO 0.06 1.01 0.34 0.28 -1.05 0.00 0.00 178.44 179.08 1jfg h VAL 224 N 0.72 1.15 -0.26 1.49 2.07 -1.04 -0.61 116.25 119.78 1jfg h VAL 224 Ca 0.09 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1jfg h VAL 224 Cb 0.81 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1jfg h VAL 224 CO 0.07 0.15 -0.19 -1.13 0.02 0.00 0.00 177.57 176.49 1jfg h ASN 225 N 0.73 0.46 -0.50 0.57 -0.73 -1.30 -0.28 115.58 114.54 1jfg h ASN 225 Ca 0.20 -0.14 -0.07 0.00 1.87 0.00 0.00 56.30 58.16 1jfg h ASN 225 Cb -0.04 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 1jfg h ASN 225 CO -0.04 0.67 0.07 0.44 -0.37 0.00 0.00 177.43 178.20 1jfg h ASP 226 N 0.43 0.84 0.05 1.15 3.32 -0.26 0.23 116.42 122.19 1jfg h ASP 226 Ca 0.07 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1jfg h ASP 226 Cb 0.57 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1jfg h ASP 226 CO 0.04 0.86 -0.03 0.25 -1.72 0.00 0.00 179.24 178.65 1jfg h LEU 227 N 0.84 -0.06 -1.07 1.55 5.85 -0.74 -2.74 115.31 118.94 1jfg h LEU 227 Ca 0.17 -0.57 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1jfg h LEU 227 Cb 0.40 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1jfg h LEU 227 CO 0.01 0.58 -0.05 0.24 -0.34 0.00 0.00 178.44 178.88 1jfg h MET 228 N -0.75 0.60 -0.61 1.25 2.86 -1.07 -3.08 114.93 114.13 1jfg h MET 228 Ca -0.01 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1jfg h MET 228 Cb 0.62 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1jfg h MET 228 CO 0.01 0.66 0.00 -1.13 1.06 0.00 0.00 176.91 177.51 1jfg n SER 229 N -4.23 5.50 0.21 1.22 3.41 0.07 -4.40 113.62 115.40 1jfg n SER 229 Ca 0.01 -2.79 0.05 0.00 -0.26 0.00 0.00 58.87 55.88 1jfg n SER 229 Cb 0.29 -0.66 0.47 0.00 -0.26 0.00 0.00 64.21 64.05 1jfg n SER 229 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1jfg h PHE 230 N 4.07 0.02 0.55 7.33 3.57 -1.39 -3.11 116.94 127.99 1jfg h PHE 230 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1jfg h PHE 230 Cb 1.84 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 40.58 1jfg h PHE 230 CO 1.01 0.23 -0.27 -0.92 -2.23 0.00 0.00 178.31 176.14 1jfg h TYR 231 N 0.02 -0.69 0.00 0.41 3.20 -1.83 -2.20 116.97 115.88 1jfg h TYR 231 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1jfg h TYR 231 Cb 0.38 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1jfg h TYR 231 CO 0.00 -0.37 -0.03 1.57 -1.64 0.00 0.00 178.16 177.69 1jfg h LYS 232 N -1.07 0.00 0.00 1.82 5.09 -1.75 -2.73 116.57 117.94 1jfg h LYS 232 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.66 1jfg h LYS 232 Cb 0.63 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.96 1jfg h LYS 232 CO 0.13 0.03 -1.39 0.39 -2.09 0.00 0.00 179.45 176.52 1jfg n GLU 233 N -3.22 0.62 -0.31 0.07 1.02 -1.18 -4.20 120.64 113.45 1jfg n GLU 233 Ca -0.01 -0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.27 1jfg n GLU 233 Cb 0.21 -1.70 0.33 0.00 -0.02 0.00 0.00 31.44 30.26 1jfg n GLU 233 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1jfg h PHE 234 N 0.00 0.48 0.00 -0.32 3.57 -1.06 -2.78 116.94 116.83 1jfg h PHE 234 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1jfg h PHE 234 Cb 0.99 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1jfg h PHE 234 CO 0.00 -0.19 -0.63 -3.47 -2.23 0.00 0.00 178.31 171.78 1jfg n ASP 235 N -5.18 0.87 -4.73 0.41 2.03 -1.26 -1.56 116.55 107.12 1jfg n ASP 235 Ca 0.23 -0.60 -0.42 0.00 0.52 0.00 0.00 54.79 54.53 1jfg n ASP 235 Cb 0.74 1.08 -0.02 0.00 -0.72 0.00 0.00 41.12 42.19 1jfg n ASP 235 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1jfg s ASP 236 N -2.13 6.56 0.03 1.67 -1.08 -1.05 -4.86 116.67 115.80 1jfg s ASP 236 Ca 0.02 2.71 -0.25 0.00 -0.52 0.00 0.00 52.55 54.52 1jfg s ASP 236 Cb 0.07 -2.61 -0.18 0.00 -1.46 0.00 0.00 42.92 38.74 1jfg s ASP 236 CO 0.40 -0.80 1.46 -0.08 0.52 0.00 0.00 175.17 176.67 1jfg h GLU 237 N 5.79 -0.03 -0.00 4.34 4.81 -1.94 -2.52 114.58 125.02 1jfg h GLU 237 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1jfg h GLU 237 Cb 1.21 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1jfg h GLU 237 CO 0.84 0.24 0.02 -0.09 -0.73 0.00 0.00 179.01 179.30 1jfg h ARG 238 N -0.31 0.00 -0.36 1.92 9.65 -1.95 -2.23 114.38 121.10 1jfg h ARG 238 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1jfg h ARG 238 Cb 0.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1jfg h ARG 238 CO 0.01 0.00 0.00 -0.25 2.80 0.00 0.00 179.97 182.53 1jfg n ASP 239 N -3.22 3.35 0.27 -3.80 8.00 -1.11 -4.58 116.55 115.46 1jfg n ASP 239 Ca -0.03 -2.30 0.13 0.00 0.71 0.00 0.00 54.79 53.30 1jfg n ASP 239 Cb 0.09 -0.35 0.77 0.00 -0.02 0.00 0.00 41.12 41.62 1jfg n ASP 239 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1jfg h GLN 240 N 2.18 0.00 -4.20 -1.24 1.08 -0.96 -3.30 115.11 108.68 1jfg h GLN 240 Ca 0.00 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.44 1jfg h GLN 240 Cb 0.98 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.18 1jfg h GLN 240 CO 0.08 0.09 0.58 0.42 -0.95 0.00 0.00 178.83 179.04 1jfg s ILE 241 N -4.35 5.41 0.30 2.54 1.01 -1.26 -4.77 121.20 120.08 1jfg s ILE 241 Ca -0.04 -2.55 0.01 0.00 0.00 0.00 0.00 60.65 58.07 1jfg s ILE 241 Cb 0.14 -4.65 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 1jfg s ILE 241 CO 0.58 -1.28 0.02 -1.54 0.00 0.00 0.00 174.94 172.72 1jfg n SER 242 N 4.52 2.50 0.13 3.58 3.41 -1.24 -4.97 113.62 121.54 1jfg n SER 242 Ca 0.23 -2.35 -0.13 0.00 -0.26 0.00 0.00 58.87 56.35 1jfg n SER 242 Cb 0.45 0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 64.62 1jfg n SER 242 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1jfg h LEU 243 N 0.00 -0.27 -0.31 1.04 5.85 -1.93 -0.27 115.31 119.42 1jfg h LEU 243 Ca -0.24 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1jfg h LEU 243 Cb 0.77 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1jfg h LEU 243 CO 0.40 0.06 0.13 0.58 -0.34 0.00 0.00 178.44 179.27 1jfg h VAL 244 N -0.63 0.96 -0.05 1.05 2.07 -1.94 -1.48 116.25 116.23 1jfg h VAL 244 Ca -0.03 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1jfg h VAL 244 Cb 0.45 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jfg h VAL 244 CO 0.05 0.05 -0.39 0.11 0.02 0.00 0.00 177.57 177.41 1jfg h LYS 245 N 0.28 0.11 0.00 1.57 1.57 -1.86 -2.41 116.57 115.84 1jfg h LYS 245 Ca 0.13 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1jfg h LYS 245 Cb 0.07 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1jfg h LYS 245 CO -0.11 0.49 -0.24 -0.91 -0.57 0.00 0.00 179.45 178.12 1jfg h ASN 246 N 0.09 0.00 -0.27 0.86 2.35 -0.73 -2.69 115.58 115.20 1jfg h ASN 246 Ca 0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1jfg h ASN 246 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 1jfg h ASN 246 CO 0.06 0.24 -0.00 1.88 -1.65 0.00 0.00 177.43 177.95 1jfg h TYR 247 N 0.00 0.52 0.42 1.19 0.05 -0.78 0.15 116.97 118.51 1jfg h TYR 247 Ca -0.00 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 1jfg h TYR 247 Cb 0.98 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.56 1jfg h TYR 247 CO 0.00 0.63 -0.45 0.28 -1.05 0.00 0.00 178.16 177.57 1jfg h VAL 248 N 0.26 0.10 0.53 -2.88 2.07 -1.32 0.11 116.25 115.12 1jfg h VAL 248 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1jfg h VAL 248 Cb 0.43 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1jfg h VAL 248 CO 0.01 0.00 -0.26 0.58 0.02 0.00 0.00 177.57 177.93 1jfg h VAL 249 N -0.89 0.47 -0.49 2.57 2.07 -1.47 0.81 116.25 119.32 1jfg h VAL 249 Ca -0.04 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 1jfg h VAL 249 Cb 0.80 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1jfg h VAL 249 CO -0.09 0.02 -0.16 0.28 0.02 0.00 0.00 177.57 177.64 1jfg h SER 250 N -0.78 0.95 0.11 0.57 0.02 -0.73 -3.25 113.55 110.44 1jfg h SER 250 Ca -0.07 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1jfg h SER 250 Cb 0.58 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1jfg h SER 250 CO 0.12 1.10 -0.64 0.47 -1.14 0.00 0.00 176.83 176.74 1jfg n ASP 251 N -4.13 1.27 -3.38 3.07 8.00 0.39 -0.54 116.55 121.23 1jfg n ASP 251 Ca 0.01 -1.04 -0.17 0.00 0.71 0.00 0.00 54.79 54.30 1jfg n ASP 251 Cb 0.42 0.58 0.04 0.00 -0.02 0.00 0.00 41.12 42.14 1jfg n ASP 251 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jfg n GLU 252 N -0.89 -1.63 -4.21 -1.24 1.02 0.26 -4.91 120.64 109.05 1jfg n GLU 252 Ca 0.07 0.89 -0.12 0.00 -0.02 0.00 0.00 57.16 57.98 1jfg n GLU 252 Cb 0.38 -5.00 -0.10 0.00 -0.02 0.00 0.00 31.44 26.70 1jfg n GLU 252 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1jfg s ILE 253 N -3.28 0.35 0.59 -3.67 -4.36 -1.12 -5.07 121.20 104.64 1jfg s ILE 253 Ca 0.31 -1.96 -0.17 0.00 -0.26 0.00 0.00 60.65 58.58 1jfg s ILE 253 Cb -0.07 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1jfg s ILE 253 CO 0.79 -0.35 1.09 -0.94 0.24 0.00 0.00 174.94 175.78 1jfg s SER 254 N -3.14 5.62 0.45 4.36 1.04 -1.26 -4.47 113.70 116.29 1jfg s SER 254 Ca 0.28 1.98 0.21 0.00 0.48 0.00 0.00 55.95 58.89 1jfg s SER 254 Cb 0.07 -2.55 1.18 0.00 0.10 0.00 0.00 66.02 64.82 1jfg s SER 254 CO 0.05 -1.28 1.87 0.25 0.98 0.00 0.00 173.24 175.11 1jfg h LEU 255 N 0.63 0.31 -0.30 2.42 5.85 -1.96 0.53 115.31 122.78 1jfg h LEU 255 Ca -0.48 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 1jfg h LEU 255 Cb 1.24 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1jfg h LEU 255 CO 0.56 0.12 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.99 1jfg h HIS 256 N 0.30 0.64 -0.38 1.25 2.76 -1.99 -2.24 115.15 115.50 1jfg h HIS 256 Ca 0.45 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1jfg h HIS 256 Cb 1.27 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.05 1jfg h HIS 256 CO -0.00 0.75 -0.11 0.93 -1.30 0.00 0.00 177.93 178.20 1jfg h GLU 257 N 0.35 0.66 -0.69 5.26 5.08 -1.30 -0.78 114.58 123.17 1jfg h GLU 257 Ca 0.08 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jfg h GLU 257 Cb 0.53 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1jfg h GLU 257 CO 0.03 0.76 0.41 0.00 -1.00 0.00 0.00 179.01 179.21 1jfg h ALA 258 N 1.27 0.88 -0.74 3.43 0.00 -1.14 -0.04 119.26 122.91 1jfg h ALA 258 Ca 0.11 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1jfg h ALA 258 Cb 0.55 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1jfg h ALA 258 CO 0.03 0.35 0.27 1.25 0.00 0.00 0.00 179.25 181.16 1jfg h LEU 259 N 0.94 1.04 -0.73 0.00 7.12 -0.90 -0.54 115.31 122.24 1jfg h LEU 259 Ca 0.25 -0.17 -0.12 0.00 0.13 0.00 0.00 57.88 57.97 1jfg h LEU 259 Cb -0.02 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.83 1jfg h LEU 259 CO -0.05 0.94 -0.32 -0.08 -0.13 0.00 0.00 178.44 178.80 1jfg h GLU 260 N 1.09 0.62 -0.27 1.25 4.57 -0.50 -1.83 114.58 119.50 1jfg h GLU 260 Ca 0.25 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1jfg h GLU 260 Cb 0.24 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1jfg h GLU 260 CO -0.02 0.86 0.08 -0.22 -1.18 0.00 0.00 179.01 178.53 1jfg h LYS 261 N 0.53 0.41 -0.75 1.92 3.64 -0.57 -2.24 116.57 119.50 1jfg h LYS 261 Ca 0.06 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1jfg h LYS 261 Cb 0.81 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 1jfg h LYS 261 CO 0.07 0.49 0.45 1.25 -2.27 0.00 0.00 179.45 179.44 1jfg h LEU 262 N 0.26 0.91 -0.62 5.20 5.85 -0.94 -1.84 115.31 124.13 1jfg h LEU 262 Ca 0.09 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1jfg h LEU 262 Cb 0.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1jfg h LEU 262 CO -0.00 0.71 -0.66 0.71 -0.34 0.00 0.00 178.44 178.85 1jfg h THR 263 N 1.03 1.43 -0.19 1.05 1.35 -1.27 -1.42 112.91 114.89 1jfg h THR 263 Ca 0.27 -2.17 -0.04 0.00 -0.55 0.00 0.00 66.41 63.92 1jfg h THR 263 Cb -0.03 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1jfg h THR 263 CO -0.05 0.63 -0.04 1.56 -0.25 0.00 0.00 175.52 177.38 1jfg h GLN 264 N 0.10 0.37 -0.51 4.72 4.20 -1.16 0.84 115.11 123.66 1jfg h GLN 264 Ca -0.01 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.57 1jfg h GLN 264 Cb 1.18 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 1jfg h GLN 264 CO 0.10 0.61 0.33 -0.44 -0.67 0.00 0.00 178.83 178.76 1jfg h ASP 265 N 0.09 0.57 -0.01 1.46 3.32 -1.29 -0.78 116.42 119.78 1jfg h ASP 265 Ca 0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jfg h ASP 265 Cb 0.47 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1jfg h ASP 265 CO 0.02 0.41 0.00 0.74 -1.72 0.00 0.00 179.24 178.69 1jfg h THR 266 N 0.68 1.06 -0.46 0.35 2.02 -1.07 0.52 112.91 116.00 1jfg h THR 266 Ca 0.19 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1jfg h THR 266 Cb -0.06 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1jfg h THR 266 CO -0.05 0.04 0.25 -0.07 0.37 0.00 0.00 175.52 176.06 1jfg h LEU 267 N -0.06 0.58 -0.48 2.58 3.38 -0.70 -1.23 115.31 119.38 1jfg h LEU 267 Ca 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1jfg h LEU 267 Cb 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1jfg h LEU 267 CO -0.00 0.51 0.23 -0.74 0.09 0.00 0.00 178.44 178.53 1jfg h HIS 268 N 0.61 0.68 -0.88 1.13 2.76 -1.01 -1.06 115.15 117.38 1jfg h HIS 268 Ca 0.16 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1jfg h HIS 268 Cb 0.06 -0.21 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 1jfg h HIS 268 CO -0.02 0.54 0.58 1.03 -1.30 0.00 0.00 177.93 178.76 1jfg h SER 269 N 0.63 0.95 -0.39 3.26 0.87 -0.64 -1.58 113.55 116.65 1jfg h SER 269 Ca 0.16 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1jfg h SER 269 Cb 0.11 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1jfg h SER 269 CO -0.02 0.65 0.11 0.28 -0.53 0.00 0.00 176.83 177.32 1jfg h SER 270 N 1.10 0.58 -0.63 6.23 0.02 -0.58 -1.80 113.55 118.47 1jfg h SER 270 Ca 0.35 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1jfg h SER 270 Cb 0.02 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1jfg h SER 270 CO -0.10 0.64 0.39 0.50 -1.14 0.00 0.00 176.83 177.12 1jfg h LYS 271 N 0.48 0.76 0.00 3.45 3.64 -0.49 -2.48 116.57 121.93 1jfg h LYS 271 Ca 0.12 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1jfg h LYS 271 Cb 0.28 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1jfg h LYS 271 CO -0.00 0.50 -0.51 1.96 -2.27 0.00 0.00 179.45 179.13 1jfg h GLN 272 N 0.78 0.00 0.01 1.90 1.08 -1.22 -1.57 115.11 116.09 1jfg h GLN 272 Ca 0.25 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1jfg h GLN 272 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1jfg h GLN 272 CO -0.09 0.51 -0.01 0.52 -0.95 0.00 0.00 178.83 178.81 1jfg h MET 273 N 0.00 -0.02 0.37 1.46 2.86 -0.87 -1.31 114.93 117.42 1jfg h MET 273 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1jfg h MET 273 Cb 1.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1jfg h MET 273 CO 0.07 0.03 -0.18 0.28 1.06 0.00 0.00 176.91 178.17 1jfg h VAL 274 N -0.06 0.61 -0.90 -2.22 2.07 -1.46 -2.31 116.25 111.99 1jfg h VAL 274 Ca -0.00 -0.42 0.23 0.00 0.82 0.00 0.00 66.70 67.33 1jfg h VAL 274 Cb 0.05 0.82 -0.13 0.00 -1.52 0.00 0.00 31.29 30.51 1jfg h VAL 274 CO 0.00 0.08 0.37 0.00 0.02 0.00 0.00 177.57 178.04 1jfg h ALA 275 N -0.24 1.44 0.15 1.67 0.00 -1.22 -1.35 119.26 119.71 1jfg h ALA 275 Ca -0.05 0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1jfg h ALA 275 Cb 0.51 0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.51 1jfg h ALA 275 CO 0.08 -0.38 -1.03 0.28 0.00 0.00 0.00 179.25 178.20 1jfg h VAL 276 N 0.35 1.40 -0.01 0.00 2.07 -1.22 -3.40 116.25 115.45 1jfg h VAL 276 Ca 0.57 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1jfg h VAL 276 Cb 1.11 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1jfg h VAL 276 CO -0.56 0.73 -0.49 0.49 0.02 0.00 0.00 177.57 177.76 1jfg n PHE 277 N -3.98 0.00 -0.02 1.57 3.72 -0.87 -4.45 117.46 113.43 1jfg n PHE 277 Ca -0.14 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.17 1jfg n PHE 277 Cb 0.90 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 39.38 1jfg n PHE 277 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1jfg h SER 278 N 1.76 -0.34 -0.10 4.37 0.02 -1.46 -2.85 113.55 114.95 1jfg h SER 278 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1jfg h SER 278 Cb 0.66 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1jfg h SER 278 CO 0.00 -0.14 0.00 -0.90 -1.14 0.00 0.00 176.83 174.65 1jfg n ASP 279 N -5.25 1.70 -3.01 3.07 5.75 -1.26 -4.93 116.55 112.62 1jfg n ASP 279 Ca -0.03 -1.63 -0.14 0.00 -0.01 0.00 0.00 54.79 52.98 1jfg n ASP 279 Cb 0.17 -0.06 0.09 0.00 -1.03 0.00 0.00 41.12 40.30 1jfg n ASP 279 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jfg n LYS 280 N 0.33 -0.46 -1.73 0.11 4.01 -1.08 -4.91 118.16 114.44 1jfg n LYS 280 Ca 0.17 -1.09 -0.65 0.00 -0.51 0.00 0.00 58.31 56.24 1jfg n LYS 280 Cb 0.36 -0.61 -0.09 0.00 -0.51 0.00 0.00 35.03 34.18 1jfg n LYS 280 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1jfg n ASP 281 N -3.33 1.42 -0.19 4.39 -0.08 -1.26 -4.79 116.55 112.70 1jfg n ASP 281 Ca 0.08 1.16 0.12 0.00 -1.51 0.00 0.00 54.79 54.65 1jfg n ASP 281 Cb 0.29 -0.94 0.44 0.00 2.34 0.00 0.00 41.12 43.25 1jfg n ASP 281 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jfg h PRO 282 N 5.39 0.54 -0.18 -0.67 0.13 -1.91 -1.20 132.00 134.10 1jfg h PRO 282 Ca -0.45 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 1jfg h PRO 282 Cb 1.36 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1jfg h PRO 282 CO 0.96 0.36 -0.27 0.37 -0.23 0.00 0.00 178.00 179.19 1jfg h GLN 283 N 0.56 0.34 -0.15 0.86 4.15 -2.00 -0.84 115.11 118.05 1jfg h GLN 283 Ca 0.38 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.58 1jfg h GLN 283 Cb 0.68 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1jfg h GLN 283 CO -0.14 0.59 -0.26 0.28 -1.93 0.00 0.00 178.83 177.38 1jfg h VAL 284 N 0.30 1.36 -0.21 2.39 2.07 -1.60 -2.61 116.25 117.96 1jfg h VAL 284 Ca 0.04 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1jfg h VAL 284 Cb 0.65 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1jfg h VAL 284 CO 0.05 0.45 -0.02 -0.03 0.02 0.00 0.00 177.57 178.03 1jfg h MET 285 N 0.05 0.31 0.15 1.57 1.85 -1.19 -1.18 114.93 116.49 1jfg h MET 285 Ca 0.01 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1jfg h MET 285 Cb 0.84 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.82 1jfg h MET 285 CO 0.06 0.35 -0.07 0.22 -0.40 0.00 0.00 176.91 177.07 1jfg h ASP 286 N 0.30 -0.17 -0.59 1.39 3.58 -1.04 0.49 116.42 120.39 1jfg h ASP 286 Ca 0.07 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1jfg h ASP 286 Cb 0.24 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1jfg h ASP 286 CO 0.01 0.00 0.32 0.74 -2.88 0.00 0.00 179.24 177.43 1jfg h THR 287 N -0.34 1.19 -0.35 2.25 2.02 -1.10 0.19 112.91 116.76 1jfg h THR 287 Ca -0.02 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1jfg h THR 287 Cb 0.27 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1jfg h THR 287 CO 0.03 0.21 0.13 0.40 0.37 0.00 0.00 175.52 176.67 1jfg h ILE 288 N 0.79 1.19 0.04 3.11 2.04 -1.08 -1.02 117.51 122.59 1jfg h ILE 288 Ca 0.21 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1jfg h ILE 288 Cb 0.05 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1jfg h ILE 288 CO -0.03 0.21 -0.05 -0.08 0.00 0.00 0.00 178.15 178.20 1jfg h GLU 289 N 0.42 -0.11 -0.20 2.37 4.57 0.27 -2.41 114.58 119.50 1jfg h GLU 289 Ca 0.12 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.25 1jfg h GLU 289 Cb 0.20 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1jfg h GLU 289 CO -0.01 -0.07 -0.10 0.00 -1.18 0.00 0.00 179.01 177.65 1jfg h PHE 291 N 0.30 0.11 -0.71 0.00 3.57 -0.97 -1.57 116.94 117.67 1jfg h PHE 291 Ca 0.06 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1jfg h PHE 291 Cb 0.36 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1jfg h PHE 291 CO 0.01 0.55 0.40 0.52 -2.23 0.00 0.00 178.31 177.55 1jfg h MET 292 N -0.37 0.70 -0.03 1.11 2.86 -1.34 0.21 114.93 118.08 1jfg h MET 292 Ca 0.01 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1jfg h MET 292 Cb 0.53 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1jfg h MET 292 CO 0.01 0.46 -0.10 0.45 1.06 0.00 0.00 176.91 178.80 1jfg h HIS 293 N 0.72 0.15 -0.74 -0.22 3.86 -1.55 -2.77 115.15 114.60 1jfg h HIS 293 Ca 0.32 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 1jfg h HIS 293 Cb 0.22 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 1jfg h HIS 293 CO -0.07 0.73 0.39 0.78 0.86 0.00 0.00 177.93 180.61 1jfg h GLY 294 N -0.47 1.11 1.00 2.45 0.00 -1.14 0.01 103.07 106.03 1jfg h GLY 294 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1jfg h GLY 294 CO 0.02 0.49 0.33 -1.82 0.00 0.00 0.00 176.54 175.56 1jfg h TYR 295 N 1.04 0.90 -0.27 5.60 3.20 -0.62 0.13 116.97 126.95 1jfg h TYR 295 Ca 0.26 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.97 1jfg h TYR 295 Cb 0.05 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 1jfg h TYR 295 CO 0.01 0.66 -0.36 0.28 -1.64 0.00 0.00 178.16 177.11 1jfg h VAL 296 N 0.88 1.30 -0.50 1.81 2.07 -1.15 -2.43 116.25 118.24 1jfg h VAL 296 Ca 0.22 -1.55 0.07 0.00 0.82 0.00 0.00 66.70 66.27 1jfg h VAL 296 Cb 0.07 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1jfg h VAL 296 CO -0.03 0.49 0.16 0.74 0.02 0.00 0.00 177.57 178.95 1jfg h THR 297 N 0.45 0.80 -0.52 2.57 2.02 -0.66 -1.54 112.91 116.03 1jfg h THR 297 Ca 0.03 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.16 1jfg h THR 297 Cb 0.94 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1jfg h THR 297 CO 0.08 0.06 0.24 -0.25 0.37 0.00 0.00 175.52 176.02 1jfg h TRP 298 N 0.32 0.44 -0.58 3.16 7.01 -0.61 -2.52 115.95 123.17 1jfg h TRP 298 Ca 0.24 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 1jfg h TRP 298 Cb 0.28 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1jfg h TRP 298 CO -0.18 0.19 0.33 0.45 -2.79 0.00 0.00 178.44 176.44 1jfg h HIS 299 N 0.46 0.78 0.00 2.65 3.86 -0.81 0.90 115.15 122.99 1jfg h HIS 299 Ca 0.24 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1jfg h HIS 299 Cb 0.19 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1jfg h HIS 299 CO -0.12 0.56 0.00 1.28 0.86 0.00 0.00 177.93 180.51 1jfg n LEU 300 N -4.61 0.00 -0.03 2.43 4.77 -0.68 -4.07 117.00 114.82 1jfg n LEU 300 Ca 0.04 0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1jfg n LEU 300 Cb 0.07 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1jfg n LEU 300 CO 0.37 -0.19 -0.70 0.00 -1.33 0.00 0.00 177.39 175.53 1jfg n ASP 302 N -2.97 3.31 -0.26 0.00 -0.08 0.23 -4.90 116.55 111.89 1jfg n ASP 302 Ca -0.11 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.36 1jfg n ASP 302 Cb 0.60 -1.57 0.12 0.00 2.34 0.00 0.00 41.12 42.61 1jfg n ASP 302 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1jfg h ARG 303 N 2.65 0.71 -1.19 -0.67 2.43 -1.93 -2.87 114.38 113.52 1jfg h ARG 303 Ca -0.49 -0.04 0.34 0.00 -0.81 0.00 0.00 59.98 58.97 1jfg h ARG 303 Cb 1.26 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.58 1jfg h ARG 303 CO 0.63 0.47 0.82 -0.09 -1.51 0.00 0.00 179.97 180.29 1jfg h ARG 304 N 0.74 0.13 -0.16 0.20 2.43 -1.95 -0.24 114.38 115.54 1jfg h ARG 304 Ca 0.34 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1jfg h ARG 304 Cb 0.24 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1jfg h ARG 304 CO -0.20 0.09 0.00 0.66 -1.51 0.00 0.00 179.97 179.00 1jfg n TYR 305 N -4.37 0.19 -2.54 2.20 4.01 -1.08 -4.87 117.16 110.70 1jfg n TYR 305 Ca 0.28 -0.09 -0.08 0.00 -0.16 0.00 0.00 57.90 57.84 1jfg n TYR 305 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.20 1jfg n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jfg n ARG 306 N 0.75 -2.18 0.00 -0.72 1.74 -0.10 -4.33 116.66 111.82 1jfg n ARG 306 Ca 0.17 0.03 0.07 0.00 -0.77 0.00 0.00 57.85 57.35 1jfg n ARG 306 Cb 0.45 -3.66 0.40 0.00 -1.02 0.00 0.00 32.46 28.63 1jfg n ARG 306 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jfg n LEU 307 N -2.33 0.00 0.04 0.55 4.77 -1.26 -2.03 117.00 116.74 1jfg n LEU 307 Ca 0.02 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.89 1jfg n LEU 307 Cb 0.39 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1jfg n LEU 307 CO 0.18 -0.03 0.16 0.77 -1.33 0.00 0.00 177.39 177.14 1jfg h SER 308 N 0.00 0.77 -0.14 -1.43 4.64 -1.88 -2.95 113.55 112.56 1jfg h SER 308 Ca 0.00 -0.59 0.02 0.00 -0.47 0.00 0.00 61.79 60.75 1jfg h SER 308 Cb 0.02 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 1jfg h SER 308 CO 0.00 1.39 0.00 -0.33 -0.87 0.00 0.00 176.83 177.02 1jfg h GLU 309 N 0.36 0.05 0.00 4.77 5.08 -1.79 0.12 114.58 123.17 1jfg h GLU 309 Ca -0.10 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1jfg h GLU 309 Cb 1.59 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 1jfg h GLU 309 CO 0.18 0.03 -0.01 0.82 -1.00 0.00 0.00 179.01 179.03 1jfg h ILE 310 N 0.05 0.42 0.16 3.13 1.08 -1.68 -1.17 117.51 119.50 1jfg h ILE 310 Ca 0.06 -0.03 -0.30 0.00 -0.39 0.00 0.00 64.86 64.20 1jfg h ILE 310 Cb 0.08 1.02 0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1jfg h ILE 310 CO -0.11 0.01 -1.30 0.22 -0.69 0.00 0.00 178.15 176.28 1jfg h TYR 311 N 0.00 0.82 -0.28 1.37 3.20 -0.92 -3.22 116.97 117.94 1jfg h TYR 311 Ca -0.00 -0.56 -0.21 0.00 3.14 0.00 0.00 58.73 61.10 1jfg h TYR 311 Cb 0.02 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.16 1jfg h TYR 311 CO 0.00 1.42 0.03 0.39 -1.64 0.00 0.00 178.16 178.36 1jfg n GLU 312 N -3.69 1.72 0.00 1.82 -0.58 0.25 -1.97 120.64 118.18 1jfg n GLU 312 Ca -0.13 -1.03 0.00 0.00 -0.42 0.00 0.00 57.16 55.58 1jfg n GLU 312 Cb 1.03 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1jfg n GLU 312 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1jfg n LYS 313 N 1.48 0.00 0.00 3.49 4.81 -1.22 -4.91 118.16 121.81 1jfg n LYS 313 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1jfg n LYS 313 Cb 0.66 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 1jfg n LYS 313 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1jfg n VAL 314 N 0.00 0.00 0.19 3.15 0.24 -1.15 -4.62 118.33 116.14 1jfg n VAL 314 Ca 0.00 -0.34 0.02 0.00 -2.04 0.00 0.00 64.34 61.98 1jfg n VAL 314 Cb 0.00 1.17 0.10 0.00 -1.47 0.00 0.00 33.84 33.64 1jfg n VAL 314 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1jfg n LYS 315 N -0.32 0.06 -0.05 7.34 2.85 -0.83 -2.59 118.16 124.60 1jfg n LYS 315 Ca 0.00 0.25 -0.10 0.00 -1.05 0.00 0.00 58.31 57.41 1jfg n LYS 315 Cb 0.04 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.88 1jfg n LYS 315 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1jfg n GLU 316 N -1.29 0.23 -1.12 -1.58 4.71 -1.26 -5.05 120.64 115.29 1jfg n GLU 316 Ca 0.02 0.09 -0.38 0.00 -0.01 0.00 0.00 57.16 56.87 1jfg n GLU 316 Cb 0.03 -0.98 -0.02 0.00 -1.01 0.00 0.00 31.44 29.46 1jfg n GLU 316 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1jfg n GLU 317 N -3.26 0.00 -0.54 3.49 1.02 -1.07 -4.84 120.64 115.44 1jfg n GLU 317 Ca -0.20 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.02 1jfg n GLU 317 Cb 0.66 -0.81 0.31 0.00 -0.02 0.00 0.00 31.44 31.58 1jfg n GLU 317 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jfg n LYS 318 N 0.83 3.39 -2.17 3.49 4.76 -1.26 -4.71 118.16 122.49 1jfg n LYS 318 Ca 0.14 -2.42 -0.41 0.00 -2.87 0.00 0.00 58.31 52.76 1jfg n LYS 318 Cb 0.21 -1.83 -0.03 0.00 -1.84 0.00 0.00 35.03 31.54 1jfg n LYS 318 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1jfg s THR 319 N -1.87 2.92 0.23 -0.18 2.01 -1.26 -4.92 115.64 112.58 1jfg s THR 319 Ca 0.43 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 63.22 1jfg s THR 319 Cb 0.28 -3.55 0.20 0.00 0.01 0.00 0.00 72.50 69.44 1jfg s THR 319 CO 0.20 0.18 1.90 -0.08 -0.69 0.00 0.00 174.62 176.13 1jfg h GLU 320 N 4.09 1.13 -0.76 4.92 4.81 -2.00 -2.48 114.58 124.29 1jfg h GLU 320 Ca -0.47 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 1jfg h GLU 320 Cb 1.22 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1jfg h GLU 320 CO 0.70 0.75 0.38 -0.44 -0.73 0.00 0.00 179.01 179.67 1jfg h ASP 321 N 1.17 0.98 0.58 1.04 3.32 -1.93 -0.11 116.42 121.46 1jfg h ASP 321 Ca 0.32 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 1jfg h ASP 321 Cb -0.12 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.18 1jfg h ASP 321 CO -0.07 0.83 -0.05 0.00 -1.72 0.00 0.00 179.24 178.22 1jfg h ALA 322 N 1.20 1.08 0.10 3.45 0.00 -1.83 0.12 119.26 123.37 1jfg h ALA 322 Ca 0.26 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 1jfg h ALA 322 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jfg h ALA 322 CO -0.04 0.06 -1.01 1.96 0.00 0.00 0.00 179.25 180.22 1jfg h GLN 323 N 0.00 0.21 -0.24 0.00 4.20 -0.88 -2.79 115.11 115.60 1jfg h GLN 323 Ca -0.00 -0.35 -0.09 0.00 0.06 0.00 0.00 58.65 58.26 1jfg h GLN 323 Cb 0.35 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1jfg h GLN 323 CO 0.01 1.17 -0.25 0.87 -0.67 0.00 0.00 178.83 179.95 1jfg h LYS 324 N -0.49 0.46 0.05 1.46 1.57 -0.77 -2.43 116.57 116.42 1jfg h LYS 324 Ca -0.21 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1jfg h LYS 324 Cb 1.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1jfg h LYS 324 CO 0.05 0.68 -0.02 0.35 -0.57 0.00 0.00 179.45 179.94 1jfg h PHE 325 N 0.41 -0.06 -0.12 -1.35 3.57 -0.87 -2.77 116.94 115.75 1jfg h PHE 325 Ca 0.06 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1jfg h PHE 325 Cb 0.66 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1jfg h PHE 325 CO 0.02 0.10 -0.20 0.00 -2.23 0.00 0.00 178.31 176.00 1jfg h LYS 327 N 0.19 0.68 0.05 0.00 1.57 -1.38 -1.43 116.57 116.26 1jfg h LYS 327 Ca 0.04 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1jfg h LYS 327 Cb 0.46 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1jfg h LYS 327 CO 0.03 0.75 -0.02 0.74 -0.57 0.00 0.00 179.45 180.37 1jfg h PHE 328 N 0.51 -0.06 -0.57 -1.35 0.04 -1.19 -1.80 116.94 112.51 1jfg h PHE 328 Ca 0.12 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.98 1jfg h PHE 328 Cb 0.42 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 1jfg h PHE 328 CO 0.03 0.17 0.39 -0.92 -0.60 0.00 0.00 178.31 177.38 1jfg h TYR 329 N -0.30 0.39 0.03 -0.55 5.03 -0.84 -0.26 116.97 120.47 1jfg h TYR 329 Ca -0.01 0.01 -0.24 0.00 2.58 0.00 0.00 58.73 61.07 1jfg h TYR 329 Cb 0.26 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 1jfg h TYR 329 CO 0.00 0.19 -1.21 0.93 -1.32 0.00 0.00 178.16 176.75 1jfg h GLU 330 N 0.37 0.06 -0.51 1.82 5.08 -1.18 -2.78 114.58 117.44 1jfg h GLU 330 Ca 0.27 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1jfg h GLU 330 Cb 0.56 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1jfg h GLU 330 CO -0.07 0.95 0.08 0.37 -1.00 0.00 0.00 179.01 179.35 1jfg h GLN 331 N 0.02 0.84 -0.38 2.33 4.15 -0.35 -0.76 115.11 120.96 1jfg h GLN 331 Ca -0.10 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.07 1jfg h GLN 331 Cb 1.86 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.44 1jfg h GLN 331 CO 0.13 0.83 0.12 0.00 -1.93 0.00 0.00 178.83 177.98 1jfg h ALA 332 N 0.98 0.50 -0.55 3.38 0.00 -1.14 -2.96 119.26 119.46 1jfg h ALA 332 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jfg h ALA 332 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1jfg h ALA 332 CO 0.01 0.14 0.23 0.00 0.00 0.00 0.00 179.25 179.63 1jfg h ALA 333 N 0.96 0.72 -1.00 0.00 0.00 -1.33 -0.20 119.26 118.41 1jfg h ALA 333 Ca 0.12 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1jfg h ALA 333 Cb 0.26 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.73 1jfg h ALA 333 CO -0.00 0.32 0.62 -0.97 0.00 0.00 0.00 179.25 179.22 1jfg h ASN 334 N 0.75 0.80 0.06 0.00 -1.24 -0.97 0.91 115.58 115.90 1jfg h ASN 334 Ca 0.18 0.08 -0.31 0.00 0.71 0.00 0.00 56.30 56.96 1jfg h ASN 334 Cb 0.19 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.14 1jfg h ASN 334 CO -0.02 0.33 -1.69 1.33 -1.29 0.00 0.00 177.43 176.09 1jfg n VAL 335 N -4.70 1.66 0.82 2.57 0.24 -1.11 -4.57 118.33 113.23 1jfg n VAL 335 Ca 0.22 -0.36 0.09 0.00 -2.04 0.00 0.00 64.34 62.25 1jfg n VAL 335 Cb 0.52 -1.87 0.04 0.00 -1.47 0.00 0.00 33.84 31.06 1jfg n VAL 335 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jfg n GLY 336 N 1.72 0.29 3.60 7.63 0.00 -0.10 -4.86 105.19 113.48 1jfg n GLY 336 Ca -0.33 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1jfg n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfg s ALA 337 N -1.86 3.05 -0.03 4.61 0.00 0.31 -4.95 121.76 122.89 1jfg s ALA 337 Ca 0.19 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1jfg s ALA 337 Cb 0.16 -3.95 0.01 0.00 0.00 0.00 0.00 23.12 19.34 1jfg s ALA 337 CO 0.35 -2.41 -0.08 0.08 0.00 0.00 0.00 175.76 173.70 1jfg s VAL 338 N 5.22 0.71 0.14 0.00 1.01 -1.26 -4.91 120.40 121.31 1jfg s VAL 338 Ca 0.57 -0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 1jfg s VAL 338 Cb -0.11 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 1jfg s VAL 338 CO 0.32 0.24 1.36 -0.55 0.00 0.00 0.00 175.10 176.47 1jfg s SER 339 N 0.43 6.85 0.48 3.32 0.15 -1.26 -4.90 113.70 118.77 1jfg s SER 339 Ca -0.06 2.35 0.20 0.00 0.70 0.00 0.00 55.95 59.13 1jfg s SER 339 Cb -0.11 -2.59 1.23 0.00 -1.71 0.00 0.00 66.02 62.84 1jfg s SER 339 CO 0.01 -0.61 1.98 -0.65 1.20 0.00 0.00 173.24 175.16 1jfg h PRO 340 N 6.37 0.18 0.00 5.44 0.11 -2.00 -0.70 132.00 141.40 1jfg h PRO 340 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jfg h PRO 340 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jfg h PRO 340 CO 0.84 0.12 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 1jfg n SER 341 N -4.43 0.00 -0.21 -2.05 3.41 -1.26 -0.47 113.62 108.61 1jfg n SER 341 Ca 0.11 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1jfg n SER 341 Cb 0.53 -0.49 0.35 0.00 -0.26 0.00 0.00 64.21 64.33 1jfg n SER 341 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jfg n GLU 342 N -1.49 0.72 0.00 4.33 1.02 -0.27 -4.73 120.64 120.21 1jfg n GLU 342 Ca 0.02 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1jfg n GLU 342 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 1jfg n GLU 342 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1jfg n TRP 343 N -0.77 0.00 -2.36 -0.32 4.27 -0.80 -4.87 117.44 112.59 1jfg n TRP 343 Ca 0.11 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.29 1jfg n TRP 343 Cb 0.35 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.30 1jfg n TRP 343 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfg n ALA 344 N -1.42 4.31 -3.49 -1.67 0.00 0.38 -4.52 120.51 114.10 1jfg n ALA 344 Ca 0.00 -3.94 -0.17 0.00 0.00 0.00 0.00 53.44 49.33 1jfg n ALA 344 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 19.45 15.92 1jfg n ALA 344 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1jfg s TYR 345 N 3.32 -0.62 0.87 0.00 -0.85 -1.26 -4.65 117.35 114.16 1jfg s TYR 345 Ca 0.50 0.99 -0.13 0.00 -0.52 0.00 0.00 57.07 57.90 1jfg s TYR 345 Cb 0.07 0.41 0.14 0.00 0.38 0.00 0.00 41.96 42.96 1jfg s TYR 345 CO 0.02 -0.63 1.23 -1.25 -1.52 0.00 0.00 175.55 173.40 1jfg s PRO 346 N -1.50 1.30 0.58 -3.49 0.04 -1.26 -4.83 135.00 125.84 1jfg s PRO 346 Ca -0.10 -0.25 -0.19 0.00 0.04 0.00 0.00 61.00 60.50 1jfg s PRO 346 Cb -0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1jfg s PRO 346 CO 0.07 -1.97 1.17 -1.25 0.04 0.00 0.00 177.00 175.06 1jfg s PRO 347 N -5.68 3.10 0.24 0.56 0.04 -1.26 -4.91 135.00 127.09 1jfg s PRO 347 Ca 0.68 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 63.36 1jfg s PRO 347 Cb -0.07 -1.96 0.41 0.00 0.04 0.00 0.00 34.50 32.92 1jfg s PRO 347 CO 0.50 -1.07 1.73 0.28 0.04 0.00 0.00 177.00 178.48 1jfg h VAL 348 N 0.92 0.68 -0.67 -0.36 2.07 -1.96 -1.18 116.25 115.75 1jfg h VAL 348 Ca -0.50 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1jfg h VAL 348 Cb 1.28 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1jfg h VAL 348 CO 0.56 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.66 1jfg h ALA 349 N 1.52 1.72 -0.02 1.67 0.00 -1.92 0.14 119.26 122.37 1jfg h ALA 349 Ca 0.39 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 1jfg h ALA 349 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1jfg h ALA 349 CO -0.38 0.18 -0.55 0.37 0.00 0.00 0.00 179.25 178.87 1jfg h GLN 350 N 0.71 0.05 0.00 0.00 4.15 -1.58 -2.05 115.11 116.39 1jfg h GLN 350 Ca 0.28 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.48 1jfg h GLN 350 Cb 0.22 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1jfg h GLN 350 CO -0.09 0.59 -0.93 -0.07 -1.93 0.00 0.00 178.83 176.40 1jfg h LEU 351 N 0.04 0.00 -0.41 -2.39 3.38 -0.93 -2.89 115.31 112.11 1jfg h LEU 351 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1jfg h LEU 351 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1jfg h LEU 351 CO 0.07 0.93 -0.31 0.00 0.09 0.00 0.00 178.44 179.22 1jfg h ALA 352 N 1.07 0.59 -0.09 1.53 0.00 -0.74 -3.17 119.26 118.45 1jfg h ALA 352 Ca -0.01 -0.42 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1jfg h ALA 352 Cb 1.69 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1jfg h ALA 352 CO 0.12 0.64 -0.72 -0.97 0.00 0.00 0.00 179.25 178.32 1jfg h ASN 353 N 0.75 0.51 0.00 0.00 -0.00 -1.45 -3.48 115.58 111.91 1jfg h ASN 353 Ca 0.08 -0.33 0.00 0.00 -0.00 0.00 0.00 56.30 56.05 1jfg h ASN 353 Cb 0.90 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.07 1jfg h ASN 353 CO 0.08 1.06 0.00 0.52 -0.00 0.00 0.00 177.43 179.10