#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfg h GLU 2 N 0.00 -0.71 -7.11 0.03 4.57 -2.08 -3.44 114.58 105.84 1jfg h GLU 2 Ca 0.00 0.05 -0.49 0.00 -1.18 0.00 0.00 59.36 57.74 1jfg h GLU 2 Cb 0.00 0.16 0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1jfg h GLU 2 CO 0.00 -0.48 0.20 -0.80 -1.18 0.00 0.00 179.01 176.76 1jfg s ASN 3 N -3.26 5.90 0.09 1.04 -0.87 -1.26 -5.06 114.94 111.52 1jfg s ASN 3 Ca -0.11 0.92 -0.26 0.00 -1.57 0.00 0.00 52.86 51.85 1jfg s ASN 3 Cb 0.01 -2.02 -0.06 0.00 -0.02 0.00 0.00 41.25 39.16 1jfg s ASN 3 CO 0.32 -0.89 0.79 0.12 -2.57 0.00 0.00 177.10 174.88 1jfg s PHE 4 N -2.96 3.80 -0.87 2.20 5.36 -1.26 -4.95 117.98 119.30 1jfg s PHE 4 Ca 0.52 1.56 -0.14 0.00 -0.96 0.00 0.00 56.93 57.91 1jfg s PHE 4 Cb -0.11 -2.83 -0.10 0.00 -0.34 0.00 0.00 43.02 39.65 1jfg s PHE 4 CO 0.47 0.34 2.03 -2.30 -1.46 0.00 0.00 175.22 174.30 1jfg n PRO 5 N 2.42 1.85 -0.28 10.12 -0.02 -1.26 -4.72 135.00 143.10 1jfg n PRO 5 Ca -0.03 -1.70 0.03 0.00 -2.02 0.00 0.00 63.50 59.79 1jfg n PRO 5 Cb 0.50 -2.71 0.17 0.00 -0.02 0.00 0.00 33.50 31.43 1jfg n PRO 5 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1jfg h THR 6 N 3.96 0.85 -0.07 3.45 2.02 -1.98 0.17 112.91 121.30 1jfg h THR 6 Ca 0.47 -0.24 -0.21 0.00 0.77 0.00 0.00 66.41 67.20 1jfg h THR 6 Cb 0.42 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1jfg h THR 6 CO 1.72 0.13 -0.81 -0.08 0.37 0.00 0.00 175.52 176.85 1jfg h GLU 7 N 0.70 0.51 -0.36 6.66 4.57 -2.00 -1.61 114.58 123.06 1jfg h GLU 7 Ca 0.40 -0.45 -0.16 0.00 -1.18 0.00 0.00 59.36 57.97 1jfg h GLU 7 Cb 0.43 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1jfg h GLU 7 CO -0.28 1.09 -0.39 -0.92 -1.18 0.00 0.00 179.01 177.33 1jfg h TYR 8 N 0.33 1.04 -0.28 0.92 3.20 -1.86 -2.31 116.97 118.02 1jfg h TYR 8 Ca -0.05 -0.31 -0.02 0.00 3.14 0.00 0.00 58.73 61.49 1jfg h TYR 8 Cb 1.41 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 1jfg h TYR 8 CO 0.06 1.12 0.10 0.35 -1.64 0.00 0.00 178.16 178.15 1jfg h PHE 9 N 0.71 0.44 -0.32 -3.82 3.57 -0.64 -1.81 116.94 115.07 1jfg h PHE 9 Ca 0.06 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1jfg h PHE 9 Cb 0.97 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1jfg h PHE 9 CO 0.06 0.46 0.20 -0.07 -2.23 0.00 0.00 178.31 176.73 1jfg h LEU 10 N 0.29 0.33 -0.38 0.59 3.38 -1.25 -0.08 115.31 118.19 1jfg h LEU 10 Ca 0.09 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1jfg h LEU 10 Cb 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1jfg h LEU 10 CO -0.00 0.24 0.20 -1.13 0.09 0.00 0.00 178.44 177.84 1jfg h ASN 11 N 0.41 0.31 -0.56 -0.43 -1.24 -1.27 0.36 115.58 113.16 1jfg h ASN 11 Ca 0.12 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.09 1jfg h ASN 11 Cb -0.02 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1jfg h ASN 11 CO -0.05 0.22 0.12 0.74 -1.29 0.00 0.00 177.43 177.18 1jfg h THR 12 N 0.41 1.25 -0.55 -3.57 2.02 -1.11 -1.42 112.91 109.94 1jfg h THR 12 Ca 0.16 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 1jfg h THR 12 Cb 0.05 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1jfg h THR 12 CO -0.10 0.33 0.05 0.74 0.37 0.00 0.00 175.52 176.92 1jfg h THR 13 N 0.81 1.25 -0.38 3.16 2.02 -0.65 0.64 112.91 119.76 1jfg h THR 13 Ca 0.17 -0.99 -0.16 0.00 0.77 0.00 0.00 66.41 66.20 1jfg h THR 13 Cb 0.36 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1jfg h THR 13 CO 0.00 0.36 -0.40 0.58 0.37 0.00 0.00 175.52 176.44 1jfg h VAL 14 N 0.85 1.27 -0.31 3.16 2.07 -0.78 -1.99 116.25 120.52 1jfg h VAL 14 Ca 0.17 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1jfg h VAL 14 Cb 0.43 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1jfg h VAL 14 CO 0.01 0.53 0.14 0.03 0.02 0.00 0.00 177.57 178.31 1jfg h ARG 15 N 0.76 0.45 -0.27 1.57 3.08 -0.95 -0.44 114.38 118.58 1jfg h ARG 15 Ca 0.06 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1jfg h ARG 15 Cb 1.00 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.92 1jfg h ARG 15 CO 0.10 0.42 -0.03 1.25 -1.07 0.00 0.00 179.97 180.65 1jfg h LEU 16 N 0.36 -0.17 -1.15 3.04 5.85 -0.77 0.16 115.31 122.63 1jfg h LEU 16 Ca 0.11 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1jfg h LEU 16 Cb 0.13 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1jfg h LEU 16 CO -0.01 -0.05 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.92 1jfg h LEU 17 N 0.05 0.51 -0.11 2.25 3.38 -1.11 -2.57 115.31 117.71 1jfg h LEU 17 Ca 0.13 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.75 1jfg h LEU 17 Cb 0.18 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jfg h LEU 17 CO -0.24 0.61 -0.95 -0.33 0.09 0.00 0.00 178.44 177.62 1jfg h GLU 18 N 0.51 0.61 -0.94 1.13 5.08 -0.39 0.96 114.58 121.54 1jfg h GLU 18 Ca 0.10 -0.61 0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1jfg h GLU 18 Cb 0.40 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1jfg h GLU 18 CO 0.02 1.22 0.61 1.88 -1.00 0.00 0.00 179.01 181.75 1jfg h TYR 19 N 0.36 1.14 -0.22 4.33 -1.99 -0.56 -1.41 116.97 118.63 1jfg h TYR 19 Ca -0.09 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1jfg h TYR 19 Cb 1.59 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 39.94 1jfg h TYR 19 CO 0.08 0.66 0.00 0.44 -0.00 0.00 0.00 178.16 179.34 1jfg n ILE 20 N -4.44 0.28 -3.54 -2.88 -5.35 -0.98 -4.85 119.36 97.60 1jfg n ILE 20 Ca 0.13 -0.43 -0.22 0.00 -0.27 0.00 0.00 62.75 61.95 1jfg n ILE 20 Cb 0.11 0.50 0.08 0.00 -1.74 0.00 0.00 39.64 38.58 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 0.57 -7.56 -1.66 6.28 1.74 -0.53 -4.88 116.66 110.62 1jfg n ARG 21 Ca 0.17 0.80 -0.55 0.00 -0.77 0.00 0.00 57.85 57.50 1jfg n ARG 21 Cb 0.39 -5.75 -0.07 0.00 -1.02 0.00 0.00 32.46 26.01 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 -4.83 1.86 -3.61 -1.55 9.36 0.27 -4.92 117.16 113.74 1jfg n TYR 22 Ca -0.02 0.55 -0.08 0.00 3.32 0.00 0.00 57.90 61.67 1jfg n TYR 22 Cb 0.57 -2.42 -0.02 0.00 -0.63 0.00 0.00 39.34 36.84 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 2.29 1.28 0.65 2.98 1.70 -1.26 -4.96 118.95 121.63 1jfg s ARG 23 Ca 0.92 -0.59 -0.17 0.00 -0.47 0.00 0.00 55.73 55.42 1jfg s ARG 23 Cb -1.00 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 33.85 1jfg s ARG 23 CO 0.57 -0.57 0.79 -0.25 -1.08 0.00 0.00 175.30 174.75 1jfg n ASP 24 N -0.38 -0.07 -4.01 -2.89 8.00 -1.26 -5.03 116.55 110.92 1jfg n ASP 24 Ca -0.10 0.72 -0.20 0.00 0.71 0.00 0.00 54.79 55.91 1jfg n ASP 24 Cb 0.62 -1.31 -0.09 0.00 -0.02 0.00 0.00 41.12 40.32 1jfg n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jfg s SER 25 N -1.37 1.87 0.00 -2.24 1.04 -1.26 -5.02 113.70 106.73 1jfg s SER 25 Ca 0.72 -1.58 0.25 0.00 0.48 0.00 0.00 55.95 55.82 1jfg s SER 25 Cb -0.39 0.39 1.49 0.00 0.10 0.00 0.00 66.02 67.61 1jfg s SER 25 CO 0.51 -0.89 1.90 -0.46 0.98 0.00 0.00 173.24 175.28 1jfg n ASN 26 N -1.03 0.00 -4.47 7.02 0.23 -1.26 -4.62 115.26 111.13 1jfg n ASN 26 Ca -0.00 -1.01 -0.43 0.00 -0.53 0.00 0.00 54.58 52.61 1jfg n ASN 26 Cb 0.65 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.32 1jfg n ASN 26 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1jfg s TYR 27 N -2.00 2.90 0.69 -2.53 5.04 -1.26 -5.02 117.35 115.17 1jfg s TYR 27 Ca 0.37 -1.09 -0.12 0.00 -2.44 0.00 0.00 57.07 53.80 1jfg s TYR 27 Cb 0.17 -4.36 0.17 0.00 0.35 0.00 0.00 41.96 38.29 1jfg s TYR 27 CO 0.29 -1.61 0.58 0.25 -1.34 0.00 0.00 175.55 173.72 1jfg n THR 28 N 5.84 0.00 0.04 4.34 -2.24 -1.26 -4.91 114.28 116.09 1jfg n THR 28 Ca 0.19 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.51 1jfg n THR 28 Cb 0.49 -1.05 -0.14 0.00 -2.10 0.00 0.00 70.33 67.52 1jfg n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1jfg h ARG 29 N 0.00 0.33 -0.65 -0.78 2.43 -1.93 -3.01 114.38 110.77 1jfg h ARG 29 Ca -0.22 -0.57 0.00 0.00 -0.81 0.00 0.00 59.98 58.38 1jfg h ARG 29 Cb 0.69 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 1jfg h ARG 29 CO 0.14 1.27 0.42 0.93 -1.51 0.00 0.00 179.97 181.23 1jfg h GLU 30 N -0.00 0.87 -0.44 0.20 3.07 -1.97 -0.90 114.58 115.40 1jfg h GLU 30 Ca -0.35 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.36 1jfg h GLU 30 Cb 2.01 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 29.70 1jfg h GLU 30 CO 0.13 0.59 -0.07 0.93 -1.40 0.00 0.00 179.01 179.18 1jfg h GLU 31 N 0.89 0.77 0.07 2.33 5.08 -1.95 -2.11 114.58 119.65 1jfg h GLU 31 Ca 0.24 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1jfg h GLU 31 Cb -0.08 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 1jfg h GLU 31 CO -0.05 0.83 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.41 1jfg h ARG 32 N 0.70 -0.46 -0.79 2.33 9.65 -1.23 -0.65 114.38 123.94 1jfg h ARG 32 Ca 0.13 0.03 0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1jfg h ARG 32 Cb 0.54 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.18 1jfg h ARG 32 CO 0.03 -0.30 0.52 0.82 2.80 0.00 0.00 179.97 183.84 1jfg h ILE 33 N -0.47 1.19 0.07 1.20 2.04 -1.05 0.11 117.51 120.60 1jfg h ILE 33 Ca 0.04 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1jfg h ILE 33 Cb 0.52 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1jfg h ILE 33 CO -0.20 0.19 -0.08 -0.33 0.00 0.00 0.00 178.15 177.73 1jfg h GLU 34 N 1.06 -0.17 -0.46 2.37 5.08 -0.90 -0.85 114.58 120.70 1jfg h GLU 34 Ca 0.29 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1jfg h GLU 34 Cb -0.10 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jfg h GLU 34 CO -0.07 -0.12 0.08 -0.91 -1.00 0.00 0.00 179.01 177.00 1jfg h ASN 35 N -0.18 0.73 -0.02 1.42 2.35 -0.92 -0.93 115.58 118.03 1jfg h ASN 35 Ca 0.01 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1jfg h ASN 35 Cb 0.18 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1jfg h ASN 35 CO -0.03 0.79 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.36 1jfg h LEU 36 N 0.63 -0.35 -0.74 1.61 3.38 -0.64 -0.72 115.31 118.49 1jfg h LEU 36 Ca 0.14 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1jfg h LEU 36 Cb 0.37 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1jfg h LEU 36 CO 0.01 -0.17 0.27 -0.74 0.09 0.00 0.00 178.44 177.90 1jfg h HIS 37 N -0.19 1.15 -0.04 1.13 2.76 -1.05 -0.06 115.15 118.84 1jfg h HIS 37 Ca 0.05 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1jfg h HIS 37 Cb 0.26 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 1jfg h HIS 37 CO -0.19 0.89 0.02 -0.92 -1.30 0.00 0.00 177.93 176.44 1jfg h TYR 38 N 1.07 0.06 0.05 5.26 3.20 -0.87 0.60 116.97 126.34 1jfg h TYR 38 Ca 0.24 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 1jfg h TYR 38 Cb 0.26 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1jfg h TYR 38 CO 0.02 0.15 -0.02 0.00 -1.64 0.00 0.00 178.16 176.67 1jfg h ALA 39 N 0.91 -0.06 0.03 1.82 0.00 -1.03 -2.51 119.26 118.42 1jfg h ALA 39 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jfg h ALA 39 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jfg h ALA 39 CO -0.00 -0.50 -0.12 -0.92 0.00 0.00 0.00 179.25 177.71 1jfg h TYR 40 N -0.14 -0.30 -0.37 0.00 3.20 -0.94 -2.38 116.97 116.03 1jfg h TYR 40 Ca -0.01 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1jfg h TYR 40 Cb 0.12 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 1jfg h TYR 40 CO -0.05 -0.18 -0.07 -0.97 -1.64 0.00 0.00 178.16 175.25 1jfg h ASN 41 N -0.22 -0.30 -0.55 -2.11 -1.24 -0.79 0.37 115.58 110.74 1jfg h ASN 41 Ca 0.03 0.11 -0.08 0.00 0.71 0.00 0.00 56.30 57.07 1jfg h ASN 41 Cb 0.25 0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 1jfg h ASN 41 CO -0.10 -0.10 0.04 0.50 -1.29 0.00 0.00 177.43 176.48 1jfg h LYS 42 N 0.03 0.94 -0.13 6.67 3.64 -1.40 -2.43 116.57 123.88 1jfg h LYS 42 Ca 0.18 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1jfg h LYS 42 Cb 0.27 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1jfg h LYS 42 CO -0.36 0.93 0.02 0.00 -2.27 0.00 0.00 179.45 177.77 1jfg h ALA 43 N 0.97 0.18 -0.89 5.00 0.00 -0.92 -2.25 119.26 121.35 1jfg h ALA 43 Ca 0.16 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1jfg h ALA 43 Cb 0.48 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1jfg h ALA 43 CO 0.02 -0.17 0.55 0.00 0.00 0.00 0.00 179.25 179.65 1jfg h ALA 44 N 0.80 1.23 -0.32 0.00 0.00 -0.27 0.04 119.26 120.74 1jfg h ALA 44 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1jfg h ALA 44 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jfg h ALA 44 CO 0.00 0.29 -0.12 0.45 0.00 0.00 0.00 179.25 179.88 1jfg h HIS 45 N 1.00 0.58 0.14 0.00 -0.00 -1.32 -2.22 115.15 113.32 1jfg h HIS 45 Ca 0.39 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 1jfg h HIS 45 Cb 0.19 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1jfg h HIS 45 CO -0.03 0.64 -0.07 1.25 -0.00 0.00 0.00 177.93 179.73 1jfg h HIS 46 N 0.50 -0.17 0.00 2.45 6.17 -0.54 -3.08 115.15 120.48 1jfg h HIS 46 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1jfg h HIS 46 Cb 0.50 0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.49 1jfg h HIS 46 CO 0.02 0.21 0.00 1.19 0.71 0.00 0.00 177.93 180.06 1jfg n PHE 47 N -4.99 0.02 0.99 5.26 3.72 -0.15 -2.30 117.46 120.01 1jfg n PHE 47 Ca -0.09 0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 1jfg n PHE 47 Cb 0.24 -0.51 0.24 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.51 3.58 -1.76 4.37 0.00 -0.84 -4.07 120.51 120.28 1jfg n ALA 48 Ca 0.03 -0.36 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 1jfg n ALA 48 Cb 0.16 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.00 3.66 0.25 0.00 -0.21 -0.97 -4.26 119.66 115.13 1jfg s GLN 49 Ca 0.11 2.10 -0.03 0.00 0.02 0.00 0.00 55.36 57.56 1jfg s GLN 49 Cb 0.17 -2.52 0.48 0.00 1.00 0.00 0.00 33.01 32.14 1jfg s GLN 49 CO 0.71 -0.73 1.76 -1.00 -2.12 0.00 0.00 175.29 173.91 1jfg h PRO 50 N 2.15 0.56 -0.50 2.91 0.13 -1.91 -0.20 132.00 135.15 1jfg h PRO 50 Ca -0.50 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1jfg h PRO 50 Cb 1.26 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1jfg h PRO 50 CO 0.60 0.37 0.29 -0.09 -0.23 0.00 0.00 178.00 178.94 1jfg h ARG 51 N 0.58 0.56 -0.31 0.86 2.43 -1.95 -1.71 114.38 114.84 1jfg h ARG 51 Ca 0.43 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.51 1jfg h ARG 51 Cb 0.59 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1jfg h ARG 51 CO -0.35 0.37 -0.03 1.96 -1.51 0.00 0.00 179.97 180.40 1jfg h GLN 52 N 0.57 0.57 0.00 0.20 1.08 -1.72 -1.90 115.11 113.91 1jfg h GLN 52 Ca 0.20 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1jfg h GLN 52 Cb 0.04 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1jfg h GLN 52 CO -0.10 0.73 0.00 1.96 -0.95 0.00 0.00 178.83 180.47 1jfg h GLN 53 N 0.35 0.00 0.00 1.46 1.08 -0.75 -1.79 115.11 115.46 1jfg h GLN 53 Ca 0.08 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 1jfg h GLN 53 Cb 0.50 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1jfg h GLN 53 CO 0.02 0.00 -1.65 0.94 -0.95 0.00 0.00 178.83 177.19 1jfg n GLN 54 N -2.48 1.59 0.05 1.46 7.27 -0.67 -4.56 117.38 120.04 1jfg n GLN 54 Ca -0.01 -0.04 0.11 0.00 0.07 0.00 0.00 57.00 57.13 1jfg n GLN 54 Cb 0.07 -1.27 -0.05 0.00 2.41 0.00 0.00 30.24 31.40 1jfg n GLN 54 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1jfg n LEU 55 N -2.22 0.51 -4.35 1.69 4.77 -0.76 -4.73 117.00 111.92 1jfg n LEU 55 Ca -0.12 0.12 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 1jfg n LEU 55 Cb 0.65 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1jfg n LEU 55 CO 0.23 -0.06 0.34 -0.22 -1.33 0.00 0.00 177.39 176.34 1jfg s LEU 56 N -4.68 5.70 -0.68 2.23 2.96 -0.68 -4.66 118.68 118.86 1jfg s LEU 56 Ca -0.02 -1.61 -0.27 0.00 -0.22 0.00 0.00 54.13 52.01 1jfg s LEU 56 Cb 0.12 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1jfg s LEU 56 CO 0.83 -1.01 1.31 -0.54 -1.32 0.00 0.00 176.35 175.62 1jfg s LYS 57 N 2.24 3.24 -0.15 1.98 -0.14 -1.26 -4.85 119.74 120.80 1jfg s LYS 57 Ca 0.09 -0.01 -0.14 0.00 -1.36 0.00 0.00 55.97 54.55 1jfg s LYS 57 Cb -0.25 -4.15 0.04 0.00 -1.68 0.00 0.00 37.83 31.79 1jfg s LYS 57 CO 0.04 -2.05 0.41 0.08 -0.76 0.00 0.00 175.35 173.07 1jfg s VAL 58 N 5.78 0.00 0.21 3.17 1.01 -1.26 -4.90 120.40 124.41 1jfg s VAL 58 Ca 0.40 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 62.06 1jfg s VAL 58 Cb -0.08 -0.58 -0.11 0.00 0.00 0.00 0.00 36.38 35.61 1jfg s VAL 58 CO 0.19 -0.01 1.57 -0.62 0.00 0.00 0.00 175.10 176.23 1jfg s ASP 59 N 0.18 6.53 0.26 3.32 2.15 -1.26 -4.85 116.67 122.99 1jfg s ASP 59 Ca -0.00 2.73 -0.02 0.00 0.43 0.00 0.00 52.55 55.69 1jfg s ASP 59 Cb -0.03 -2.61 0.57 0.00 -0.30 0.00 0.00 42.92 40.55 1jfg s ASP 59 CO 0.01 -0.84 1.68 -0.65 -0.17 0.00 0.00 175.17 175.20 1jfg h PRO 60 N 6.05 0.28 -0.84 4.34 0.11 -1.99 -1.47 132.00 138.48 1jfg h PRO 60 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1jfg h PRO 60 Cb 1.21 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1jfg h PRO 60 CO 0.87 0.19 0.47 0.87 -0.21 0.00 0.00 178.00 180.18 1jfg h LYS 61 N 0.29 1.17 -0.10 1.05 1.57 -1.99 -1.29 116.57 117.26 1jfg h LYS 61 Ca 0.47 -0.13 -0.23 0.00 -1.87 0.00 0.00 60.65 58.90 1jfg h LYS 61 Cb 0.86 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1jfg h LYS 61 CO -0.54 0.85 -0.83 0.00 -0.57 0.00 0.00 179.45 178.36 1jfg h ARG 62 N 1.18 0.69 -0.48 3.15 3.08 -1.77 -1.38 114.38 118.84 1jfg h ARG 62 Ca 0.30 -0.61 0.06 0.00 0.07 0.00 0.00 59.98 59.80 1jfg h ARG 62 Cb 0.02 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1jfg h ARG 62 CO -0.05 1.22 0.19 1.25 -1.07 0.00 0.00 179.97 181.50 1jfg h LEU 63 N 0.46 0.21 -0.38 3.04 5.85 -1.05 0.90 115.31 124.34 1jfg h LEU 63 Ca -0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1jfg h LEU 63 Cb 1.46 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 1jfg h LEU 63 CO 0.16 0.15 0.22 -0.61 -0.34 0.00 0.00 178.44 178.03 1jfg h GLN 64 N 0.37 0.43 -0.44 1.25 5.75 -1.13 0.77 115.11 122.12 1jfg h GLN 64 Ca 0.22 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 1jfg h GLN 64 Cb 0.21 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1jfg h GLN 64 CO -0.21 0.29 -0.13 0.00 -2.65 0.00 0.00 178.83 176.12 1jfg h ALA 65 N 1.18 0.61 -0.40 3.38 0.00 -0.22 -2.28 119.26 121.54 1jfg h ALA 65 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1jfg h ALA 65 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jfg h ALA 65 CO -0.08 0.52 0.06 0.77 0.00 0.00 0.00 179.25 180.53 1jfg h SER 66 N 0.70 0.64 -0.35 0.00 0.02 0.11 -1.62 113.55 113.06 1jfg h SER 66 Ca 0.11 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1jfg h SER 66 Cb 0.68 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1jfg h SER 66 CO 0.05 0.74 0.22 0.25 -1.14 0.00 0.00 176.83 176.94 1jfg h LEU 67 N 0.51 0.37 -0.83 5.07 5.85 -0.82 -1.03 115.31 124.43 1jfg h LEU 67 Ca 0.12 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1jfg h LEU 67 Cb 0.37 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1jfg h LEU 67 CO 0.01 0.27 0.50 1.56 -0.34 0.00 0.00 178.44 180.44 1jfg h GLN 68 N 0.45 1.13 -0.58 1.25 4.20 -1.29 -0.08 115.11 120.18 1jfg h GLN 68 Ca 0.13 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1jfg h GLN 68 Cb -0.03 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1jfg h GLN 68 CO -0.04 0.79 0.12 1.15 -0.67 0.00 0.00 178.83 180.18 1jfg h THR 69 N 1.14 1.25 -0.18 -0.54 2.02 -0.94 -2.35 112.91 113.31 1jfg h THR 69 Ca 0.30 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1jfg h THR 69 Cb -0.05 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1jfg h THR 69 CO -0.06 0.34 -0.13 0.40 0.37 0.00 0.00 175.52 176.45 1jfg h ILE 70 N 0.85 1.33 -0.96 3.11 1.08 -0.82 -1.13 117.51 120.97 1jfg h ILE 70 Ca 0.18 -1.25 0.11 0.00 -0.39 0.00 0.00 64.86 63.52 1jfg h ILE 70 Cb 0.38 1.75 -0.08 0.00 -3.07 0.00 0.00 36.82 35.80 1jfg h ILE 70 CO 0.01 0.37 0.59 0.58 -0.69 0.00 0.00 178.15 179.01 1jfg h VAL 71 N 0.07 0.93 -0.55 1.67 2.07 -1.01 0.83 116.25 120.25 1jfg h VAL 71 Ca 0.03 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1jfg h VAL 71 Cb 0.64 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1jfg h VAL 71 CO 0.04 0.18 0.17 1.23 0.02 0.00 0.00 177.57 179.20 1jfg h GLY 72 N 0.96 0.92 0.90 2.17 0.00 -1.21 -0.55 103.07 106.26 1jfg h GLY 72 Ca 0.47 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 1jfg h GLY 72 CO -0.26 0.51 -0.20 1.98 0.00 0.00 0.00 176.54 178.57 1jfg h MET 73 N 0.77 -0.54 0.51 4.80 -1.53 0.19 -1.36 114.93 117.77 1jfg h MET 73 Ca 0.18 0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.46 1jfg h MET 73 Cb 0.28 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.44 1jfg h MET 73 CO -0.01 -0.30 -0.34 0.28 0.14 0.00 0.00 176.91 176.68 1jfg h VAL 74 N -0.67 0.30 -0.53 -5.77 2.07 -0.86 -1.43 116.25 109.37 1jfg h VAL 74 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1jfg h VAL 74 Cb 0.49 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1jfg h VAL 74 CO 0.09 0.00 0.15 0.58 0.02 0.00 0.00 177.57 178.41 1jfg h VAL 75 N -0.82 0.75 0.00 2.57 2.07 -1.14 0.22 116.25 119.90 1jfg h VAL 75 Ca -0.06 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1jfg h VAL 75 Cb 0.68 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jfg h VAL 75 CO 0.04 0.06 -0.43 1.88 0.02 0.00 0.00 177.57 179.14 1jfg h TYR 76 N 0.30 0.00 0.00 1.57 -1.99 -1.15 -3.35 116.97 112.35 1jfg h TYR 76 Ca 0.27 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.69 1jfg h TYR 76 Cb 0.34 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.01 1jfg h TYR 76 CO -0.20 0.43 -2.13 0.43 -0.00 0.00 0.00 178.16 176.69 1jfg n SER 77 N -3.85 1.43 -2.57 3.88 7.64 -0.55 -4.08 113.62 115.52 1jfg n SER 77 Ca -0.01 -0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 1jfg n SER 77 Cb 0.48 0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 64.20 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 -2.75 2.14 0.25 1.43 8.01 0.74 -3.56 117.44 123.71 1jfg n TRP 78 Ca -0.30 -2.14 0.17 0.00 -1.31 0.00 0.00 57.50 53.93 1jfg n TRP 78 Cb 0.99 -1.29 0.82 0.00 -2.01 0.00 0.00 31.31 29.82 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 2.81 1.60 -0.01 6.99 0.00 -1.77 -2.61 119.26 126.27 1jfg h ALA 79 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1jfg h ALA 79 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jfg h ALA 79 CO 1.10 -0.40 -0.56 1.63 0.00 0.00 0.00 179.25 181.01 1jfg n LYS 80 N -3.24 0.85 -2.53 0.00 4.76 -1.26 -4.99 118.16 111.75 1jfg n LYS 80 Ca 0.01 -0.68 -0.25 0.00 -2.87 0.00 0.00 58.31 54.52 1jfg n LYS 80 Cb 0.43 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 32.16 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 -2.62 3.53 0.95 -0.18 -7.23 -0.99 -5.06 120.40 108.81 1jfg s VAL 81 Ca 0.17 -0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.03 1jfg s VAL 81 Cb 0.18 -3.38 0.16 0.00 0.56 0.00 0.00 36.38 33.90 1jfg s VAL 81 CO 0.64 -0.36 1.09 -0.94 -0.31 0.00 0.00 175.10 175.22 1jfg s SER 82 N -4.31 2.89 0.23 4.85 1.04 -1.26 -4.81 113.70 112.32 1jfg s SER 82 Ca 0.53 1.61 -0.06 0.00 0.48 0.00 0.00 55.95 58.51 1jfg s SER 82 Cb -0.10 -2.26 0.21 0.00 0.10 0.00 0.00 66.02 63.96 1jfg s SER 82 CO 0.43 -3.02 1.80 0.11 0.98 0.00 0.00 173.24 173.54 1jfg h LYS 83 N -1.81 1.16 -0.77 4.02 1.57 -1.98 -1.77 116.57 116.98 1jfg h LYS 83 Ca -0.51 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.05 1jfg h LYS 83 Cb 1.29 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 1jfg h LYS 83 CO 0.52 0.93 0.37 0.93 -0.57 0.00 0.00 179.45 181.62 1jfg h GLU 84 N 1.14 1.12 -0.65 3.15 4.39 -1.98 -1.51 114.58 120.24 1jfg h GLU 84 Ca 0.27 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 1jfg h GLU 84 Cb 0.18 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1jfg h GLU 84 CO -0.03 0.87 0.24 0.00 -1.16 0.00 0.00 179.01 178.93 1jfg h MET 86 N 0.93 1.17 0.14 0.00 2.86 -1.06 -0.95 114.93 118.02 1jfg h MET 86 Ca 0.21 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1jfg h MET 86 Cb 0.24 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1jfg h MET 86 CO -0.01 0.97 -0.07 0.00 1.06 0.00 0.00 176.91 178.86 1jfg h ALA 87 N 1.14 -0.19 -0.35 6.32 0.00 -0.77 0.29 119.26 125.71 1jfg h ALA 87 Ca 0.25 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1jfg h ALA 87 Cb 0.27 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1jfg h ALA 87 CO -0.01 -0.51 -0.16 -0.44 0.00 0.00 0.00 179.25 178.13 1jfg h ASP 88 N -0.38 0.63 -0.07 0.00 3.32 -0.98 -2.14 116.42 116.79 1jfg h ASP 88 Ca -0.02 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 1jfg h ASP 88 Cb 0.31 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1jfg h ASP 88 CO 0.03 0.80 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.89 1jfg h LEU 89 N 0.57 0.62 -0.94 1.55 3.38 -1.13 -2.48 115.31 116.89 1jfg h LEU 89 Ca 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1jfg h LEU 89 Cb 0.60 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1jfg h LEU 89 CO 0.04 0.95 0.45 0.28 0.09 0.00 0.00 178.44 180.25 1jfg h SER 90 N 0.49 1.08 -0.21 -0.43 0.02 -0.50 -0.21 113.55 113.78 1jfg h SER 90 Ca 0.04 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1jfg h SER 90 Cb 0.89 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1jfg h SER 90 CO 0.08 0.88 0.07 0.40 -1.14 0.00 0.00 176.83 177.12 1jfg h ILE 91 N 1.20 1.19 -0.31 3.27 2.04 -1.14 -1.67 117.51 122.10 1jfg h ILE 91 Ca 0.30 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1jfg h ILE 91 Cb 0.06 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1jfg h ILE 91 CO -0.04 0.19 0.12 -0.74 0.00 0.00 0.00 178.15 177.67 1jfg h HIS 92 N 0.17 0.47 0.00 1.37 2.76 -1.13 -1.93 115.15 116.86 1jfg h HIS 92 Ca 0.07 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1jfg h HIS 92 Cb 0.23 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1jfg h HIS 92 CO 0.00 0.46 0.00 0.66 -1.30 0.00 0.00 177.93 177.75 1jfg n TYR 93 N -4.72 0.59 0.08 5.26 4.01 -0.12 -2.02 117.16 120.23 1jfg n TYR 93 Ca -0.02 0.21 -0.16 0.00 -0.16 0.00 0.00 57.90 57.78 1jfg n TYR 93 Cb 0.14 -0.84 -0.14 0.00 -0.31 0.00 0.00 39.34 38.19 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 -0.42 -0.72 2.02 -0.90 -2.68 112.91 111.53 1jfg h THR 94 Ca 0.00 -2.94 -0.01 0.00 0.77 0.00 0.00 66.41 64.23 1jfg h THR 94 Cb 0.44 2.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 1jfg h THR 94 CO 0.00 0.85 0.23 1.88 0.37 0.00 0.00 175.52 178.84 1jfg h TYR 95 N 0.06 0.58 -0.44 3.16 0.05 -0.77 -1.22 116.97 118.39 1jfg h TYR 95 Ca -0.19 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.54 1jfg h TYR 95 Cb 1.98 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 39.52 1jfg h TYR 95 CO 0.06 0.45 0.14 1.79 -1.05 0.00 0.00 178.16 179.55 1jfg h THR 96 N 0.55 1.22 -0.86 -2.88 1.35 -1.46 -2.39 112.91 108.43 1jfg h THR 96 Ca 0.15 -0.72 -0.03 0.00 -0.55 0.00 0.00 66.41 65.27 1jfg h THR 96 Cb 0.07 0.85 -0.04 0.00 -1.73 0.00 0.00 68.15 67.30 1jfg h THR 96 CO -0.02 0.26 0.44 0.25 -0.25 0.00 0.00 175.52 176.19 1jfg h LEU 97 N 0.57 1.11 -0.79 3.87 5.85 -1.30 -2.98 115.31 121.64 1jfg h LEU 97 Ca 0.14 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1jfg h LEU 97 Cb 0.25 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1jfg h LEU 97 CO -0.01 0.92 0.06 0.58 -0.34 0.00 0.00 178.44 179.65 1jfg h VAL 98 N 1.22 1.25 0.00 1.05 2.07 -1.02 -2.95 116.25 117.88 1jfg h VAL 98 Ca 0.30 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1jfg h VAL 98 Cb 0.09 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1jfg h VAL 98 CO -0.04 0.38 0.26 0.25 0.02 0.00 0.00 177.57 178.43 1jfg h LEU 99 N 0.91 0.00 0.00 2.57 5.85 -1.27 -0.19 115.31 123.18 1jfg h LEU 99 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1jfg h LEU 99 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1jfg h LEU 99 CO 0.02 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.59 1jfg n ASP 100 N -2.64 0.00 -0.55 1.25 8.00 -1.11 -2.50 116.55 118.99 1jfg n ASP 100 Ca -0.02 0.14 0.12 0.00 0.71 0.00 0.00 54.79 55.74 1jfg n ASP 100 Cb 0.30 -0.32 0.22 0.00 -0.02 0.00 0.00 41.12 41.30 1jfg n ASP 100 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jfg n ASP 101 N -1.32 1.94 -4.66 -2.24 9.92 -0.08 -4.90 116.55 115.20 1jfg n ASP 101 Ca 0.06 -1.49 -0.38 0.00 -0.53 0.00 0.00 54.79 52.45 1jfg n ASP 101 Cb 0.13 0.18 -0.08 0.00 -0.64 0.00 0.00 41.12 40.71 1jfg n ASP 101 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1jfg s SER 102 N -2.27 6.41 0.00 -2.24 0.15 -1.04 -4.89 113.70 109.82 1jfg s SER 102 Ca 0.26 0.48 0.23 0.00 0.70 0.00 0.00 55.95 57.62 1jfg s SER 102 Cb 0.19 -2.23 0.16 0.00 -1.71 0.00 0.00 66.02 62.43 1jfg s SER 102 CO 0.44 -0.08 1.17 0.29 1.20 0.00 0.00 173.24 176.26 1jfg n LYS 103 N 4.54 0.07 -1.67 5.44 5.02 -1.26 -4.93 118.16 125.38 1jfg n LYS 103 Ca -0.09 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 1jfg n LYS 103 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 1jfg n LYS 103 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jfg n ASP 104 N -1.42 4.02 -4.59 4.39 8.00 -1.26 -4.88 116.55 120.81 1jfg n ASP 104 Ca 0.05 0.92 -0.44 0.00 0.71 0.00 0.00 54.79 56.04 1jfg n ASP 104 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 39.90 1jfg n ASP 104 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jfg n ASP 105 N 7.15 3.24 0.21 -2.24 2.03 -1.26 -4.84 116.55 120.84 1jfg n ASP 105 Ca 0.20 0.30 0.16 0.00 0.52 0.00 0.00 54.79 55.98 1jfg n ASP 105 Cb 0.38 -1.52 0.81 0.00 -0.72 0.00 0.00 41.12 40.07 1jfg n ASP 105 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1jfg h PRO 106 N 14.27 0.00 -0.56 -0.67 0.11 -1.96 -3.32 132.00 139.86 1jfg h PRO 106 Ca -0.41 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.75 1jfg h PRO 106 Cb 1.25 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1jfg h PRO 106 CO 0.96 0.00 -0.33 0.98 -0.21 0.00 0.00 178.00 179.40 1jfg n TYR 107 N -3.93 -0.25 -0.32 0.65 4.19 -1.26 -1.19 117.16 115.05 1jfg n TYR 107 Ca 0.01 0.70 0.13 0.00 3.31 0.00 0.00 57.90 62.06 1jfg n TYR 107 Cb 0.28 -0.53 0.36 0.00 0.49 0.00 0.00 39.34 39.94 1jfg n TYR 107 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 1jfg h PRO 108 N 0.00 0.70 0.00 2.98 0.11 -1.99 -1.54 132.00 132.25 1jfg h PRO 108 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1jfg h PRO 108 Cb 0.23 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1jfg h PRO 108 CO -0.53 0.46 -0.25 0.25 -0.21 0.00 0.00 178.00 177.73 1jfg n THR 109 N -4.67 0.33 0.86 -1.15 -2.24 -0.36 -3.77 114.28 103.29 1jfg n THR 109 Ca 0.21 -0.19 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1jfg n THR 109 Cb 0.56 -0.33 0.24 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.97 2.22 -0.06 -0.78 2.81 -0.33 -4.24 117.12 114.76 1jfg n MET 110 Ca 0.05 -1.80 0.01 0.00 -1.81 0.00 0.00 57.70 54.15 1jfg n MET 110 Cb 0.40 -1.47 0.32 0.00 -0.71 0.00 0.00 33.22 31.76 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 3.94 1.17 -0.30 2.03 2.07 -1.61 -2.71 116.25 120.85 1jfg h VAL 111 Ca 0.00 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1jfg h VAL 111 Cb 0.85 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1jfg h VAL 111 CO 0.00 0.20 -0.07 0.59 0.02 0.00 0.00 177.57 178.31 1jfg n ASN 112 N -4.38 2.77 0.03 0.57 3.02 -1.26 -4.82 115.26 111.19 1jfg n ASN 112 Ca 0.04 -3.56 -0.11 0.00 -0.03 0.00 0.00 54.58 50.92 1jfg n ASN 112 Cb 0.13 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 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 1.12 -0.71 -0.11 3.10 3.20 -1.71 -1.34 116.97 120.51 1jfg h TYR 113 Ca 0.15 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1jfg h TYR 113 Cb 1.55 0.32 -0.00 0.00 1.54 0.00 0.00 36.73 40.14 1jfg h TYR 113 CO 0.84 -0.35 -0.02 0.35 -1.64 0.00 0.00 178.16 177.34 1jfg h PHE 114 N -0.37 0.24 -0.88 -3.82 3.57 -1.87 -1.84 116.94 111.96 1jfg h PHE 114 Ca 0.08 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jfg h PHE 114 Cb 0.49 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1jfg h PHE 114 CO -0.33 0.50 0.55 -0.44 -2.23 0.00 0.00 178.31 176.37 1jfg h ASP 115 N -0.10 1.04 -0.49 0.41 3.32 -1.92 0.44 116.42 119.13 1jfg h ASP 115 Ca 0.03 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1jfg h ASP 115 Cb 0.42 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1jfg h ASP 115 CO 0.01 0.79 -0.11 0.44 -1.72 0.00 0.00 179.24 178.64 1jfg h ASP 116 N 1.21 0.97 0.06 6.45 3.32 -1.23 -1.24 116.42 125.97 1jfg h ASP 116 Ca 0.32 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jfg h ASP 116 Cb -0.08 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.21 1jfg h ASP 116 CO -0.06 1.09 -0.03 0.25 -1.72 0.00 0.00 179.24 178.76 1jfg h LEU 117 N 0.87 -0.07 -1.52 1.55 5.85 -0.71 -0.68 115.31 120.59 1jfg h LEU 117 Ca 0.14 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1jfg h LEU 117 Cb 0.66 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1jfg h LEU 117 CO 0.05 0.07 -0.14 -0.61 -0.34 0.00 0.00 178.44 177.47 1jfg h GLN 118 N -0.21 0.14 0.00 1.25 5.75 -0.85 -2.65 115.11 118.54 1jfg h GLN 118 Ca -0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1jfg h GLN 118 Cb 0.18 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1jfg h GLN 118 CO 0.01 0.29 -0.45 0.00 -2.65 0.00 0.00 178.83 176.02 1jfg n ALA 119 N -2.50 2.87 -1.25 3.38 0.00 -0.48 -4.96 120.51 117.57 1jfg n ALA 119 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1jfg n ALA 119 Cb 0.25 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.56 3.89 0.00 0.00 -0.39 -5.06 105.19 105.55 1jfg n GLY 120 Ca 0.04 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.59 3.62 0.35 1.61 0.52 -0.44 -5.04 118.95 116.98 1jfg s ARG 121 Ca 0.00 -0.06 -0.28 0.00 -0.52 0.00 0.00 55.73 54.87 1jfg s ARG 121 Cb 0.00 -2.98 -0.12 0.00 0.52 0.00 0.00 34.95 32.37 1jfg s ARG 121 CO 0.00 0.57 1.41 -1.91 0.02 0.00 0.00 175.30 175.39 1jfg n GLU 122 N 0.67 2.44 -1.98 3.54 2.13 -1.26 -4.50 120.64 121.67 1jfg n GLU 122 Ca -0.07 0.85 -0.36 0.00 0.66 0.00 0.00 57.16 58.25 1jfg n GLU 122 Cb 0.52 -2.53 0.04 0.00 0.27 0.00 0.00 31.44 29.74 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 -1.88 2.93 0.14 5.31 -1.52 -1.26 -4.95 119.66 118.43 1jfg s GLN 123 Ca 0.55 1.81 -0.11 0.00 -1.95 0.00 0.00 55.36 55.66 1jfg s GLN 123 Cb -0.52 -1.93 -0.06 0.00 -0.22 0.00 0.00 33.01 30.28 1jfg s GLN 123 CO 0.62 -1.23 1.44 0.00 -0.25 0.00 0.00 175.29 175.86 1jfg h ALA 124 N 0.81 0.52 -2.30 6.09 0.00 -1.92 -3.42 119.26 119.03 1jfg h ALA 124 Ca -0.50 -0.49 -0.55 0.00 0.00 0.00 0.00 54.91 53.37 1jfg h ALA 124 Cb 1.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1jfg h ALA 124 CO 0.55 0.68 0.91 -1.58 0.00 0.00 0.00 179.25 179.81 1jfg s HIS 125 N -4.24 2.65 0.43 0.00 5.04 -1.26 -4.91 115.29 113.00 1jfg s HIS 125 Ca -0.11 0.71 0.12 0.00 -1.54 0.00 0.00 55.06 54.24 1jfg s HIS 125 Cb 0.11 -3.69 0.98 0.00 0.04 0.00 0.00 32.58 30.02 1jfg s HIS 125 CO 0.89 -2.61 2.01 -1.00 -2.34 0.00 0.00 174.74 171.69 1jfg h PRO 126 N 8.31 0.43 -0.17 2.88 0.13 -1.88 -1.92 132.00 139.79 1jfg h PRO 126 Ca -0.36 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1jfg h PRO 126 Cb 1.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1jfg h PRO 126 CO 0.93 0.29 0.10 2.35 -0.23 0.00 0.00 178.00 181.44 1jfg h TRP 127 N 0.45 0.22 -0.57 1.56 7.01 -1.91 -1.94 115.95 120.77 1jfg h TRP 127 Ca 0.23 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 1jfg h TRP 127 Cb 0.32 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 1jfg h TRP 127 CO -0.00 0.19 0.23 -1.49 -2.79 0.00 0.00 178.44 174.58 1jfg h TRP 128 N 0.19 0.83 -0.67 2.65 -0.00 -1.83 -0.09 115.95 117.04 1jfg h TRP 128 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1jfg h TRP 128 Cb 0.03 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 28.90 1jfg h TRP 128 CO -0.05 0.64 0.43 0.00 -0.00 0.00 0.00 178.44 179.47 1jfg h ALA 129 N 1.43 0.85 0.05 1.49 0.00 -0.77 -1.08 119.26 121.23 1jfg h ALA 129 Ca 0.20 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1jfg h ALA 129 Cb 0.16 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jfg h ALA 129 CO -0.02 0.29 -0.61 -0.07 0.00 0.00 0.00 179.25 178.84 1jfg h LEU 130 N 0.91 0.45 -0.27 0.00 3.38 -1.03 -3.04 115.31 115.71 1jfg h LEU 130 Ca 0.24 -0.84 0.01 0.00 0.09 0.00 0.00 57.88 57.38 1jfg h LEU 130 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1jfg h LEU 130 CO -0.05 1.25 0.17 0.58 0.09 0.00 0.00 178.44 180.47 1jfg h VAL 131 N -0.28 1.05 0.00 1.22 2.07 -0.96 -1.23 116.25 118.12 1jfg h VAL 131 Ca -0.09 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 1jfg h VAL 131 Cb 1.39 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1jfg h VAL 131 CO 0.12 0.06 -0.53 0.78 0.02 0.00 0.00 177.57 178.02 1jfg h ASN 132 N 0.35 0.00 0.13 0.57 2.35 -1.34 0.19 115.58 117.82 1jfg h ASN 132 Ca 0.10 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 1jfg h ASN 132 Cb -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1jfg h ASN 132 CO -0.03 0.53 -0.51 -0.08 -1.65 0.00 0.00 177.43 175.68 1jfg h GLU 133 N 0.00 0.43 0.00 0.81 4.81 -1.38 -3.24 114.58 116.01 1jfg h GLU 133 Ca -0.01 -0.25 -0.22 0.00 -0.13 0.00 0.00 59.36 58.75 1jfg h GLU 133 Cb 0.94 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 1jfg h GLU 133 CO 0.07 0.84 -1.36 1.25 -0.73 0.00 0.00 179.01 179.08 1jfg h HIS 134 N 0.34 0.00 -0.90 0.92 2.76 -0.90 -3.40 115.15 113.96 1jfg h HIS 134 Ca 0.01 0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.38 1jfg h HIS 134 Cb 1.02 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.80 1jfg h HIS 134 CO 0.03 0.83 -0.16 0.34 -1.30 0.00 0.00 177.93 177.67 1jfg n PHE 135 N -3.08 0.39 -0.26 5.26 -0.00 0.64 -0.94 117.46 119.47 1jfg n PHE 135 Ca -0.10 1.10 0.31 0.00 -0.00 0.00 0.00 57.45 58.77 1jfg n PHE 135 Cb 0.94 -1.07 0.71 0.00 -0.00 0.00 0.00 39.48 40.07 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 0.04 0.00 -7.13 0.11 -1.79 0.74 132.00 123.98 1jfg h PRO 136 Ca 0.46 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 1jfg h PRO 136 Cb 0.78 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1jfg h PRO 136 CO -0.91 0.03 -0.20 -0.91 -0.21 0.00 0.00 178.00 175.79 1jfg h ASN 137 N 0.04 0.00 0.08 -2.05 -0.26 -1.36 -1.63 115.58 110.40 1jfg h ASN 137 Ca 0.51 0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.95 1jfg h ASN 137 Cb 1.94 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 39.18 1jfg h ASN 137 CO -0.03 0.20 -1.60 0.58 -1.06 0.00 0.00 177.43 175.51 1jfg h VAL 138 N 0.00 0.81 0.00 2.81 2.07 0.29 -3.39 116.25 118.85 1jfg h VAL 138 Ca -0.00 -2.29 -0.05 0.00 0.82 0.00 0.00 66.70 65.18 1jfg h VAL 138 Cb 0.56 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1jfg h VAL 138 CO 0.03 0.64 -0.25 -0.07 0.02 0.00 0.00 177.57 177.94 1jfg h LEU 139 N -0.41 0.00 -2.65 2.57 3.38 -0.98 -2.91 115.31 114.31 1jfg h LEU 139 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1jfg h LEU 139 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1jfg h LEU 139 CO -0.03 0.25 0.08 0.08 0.09 0.00 0.00 178.44 178.91 1jfg h ARG 140 N 0.00 0.00 -0.00 1.13 0.11 -1.48 0.43 114.38 114.57 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 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1jfg h ARG 140 CO 0.03 0.00 -0.14 0.72 0.10 0.00 0.00 179.97 180.68 1jfg n HIS 141 N -2.98 0.00 -4.30 4.08 8.25 -1.10 -4.93 115.22 114.24 1jfg n HIS 141 Ca -0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.27 1jfg n HIS 141 Cb 0.15 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.50 1.50 0.90 4.41 0.40 0.14 -1.19 117.98 121.64 1jfg s PHE 142 Ca 0.27 -0.69 -0.13 0.00 -0.60 0.00 0.00 56.93 55.78 1jfg s PHE 142 Cb 0.20 -0.75 0.13 0.00 0.51 0.00 0.00 43.02 43.11 1jfg s PHE 142 CO 0.49 0.19 1.18 0.20 0.70 0.00 0.00 175.22 177.98 1jfg s GLY 143 N -3.25 1.61 0.26 4.36 0.00 -1.26 -4.78 107.32 104.26 1jfg s GLY 143 Ca 0.21 -0.69 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 1jfg s GLY 143 CO 0.04 -0.11 1.84 -0.56 0.00 0.00 0.00 173.10 174.31 1jfg h PRO 144 N -1.42 0.91 0.12 2.90 0.13 -1.99 -0.97 132.00 131.69 1jfg h PRO 144 Ca -0.48 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 1jfg h PRO 144 Cb 1.32 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jfg h PRO 144 CO 0.59 0.61 -0.06 0.35 -0.23 0.00 0.00 178.00 179.25 1jfg h PHE 145 N 0.94 -0.15 -0.91 1.56 3.57 -1.98 -1.78 116.94 118.19 1jfg h PHE 145 Ca 0.43 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 1jfg h PHE 145 Cb 0.34 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1jfg h PHE 145 CO -0.03 0.12 0.53 0.00 -2.23 0.00 0.00 178.31 176.70 1jfg h SER 147 N 1.26 0.75 -0.73 0.00 0.02 -1.05 -1.23 113.55 112.57 1jfg h SER 147 Ca 0.32 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1jfg h SER 147 Cb -0.02 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1jfg h SER 147 CO -0.06 0.51 0.45 0.25 -1.14 0.00 0.00 176.83 176.84 1jfg h LEU 148 N 0.89 0.87 -0.53 5.07 5.85 -0.88 -1.40 115.31 125.18 1jfg h LEU 148 Ca 0.31 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 1jfg h LEU 148 Cb 0.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1jfg h LEU 148 CO -0.13 0.67 0.02 0.78 -0.34 0.00 0.00 178.44 179.44 1jfg h ASN 149 N 1.01 0.91 -0.50 1.25 2.35 -0.93 -1.43 115.58 118.24 1jfg h ASN 149 Ca 0.27 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1jfg h ASN 149 Cb -0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 1jfg h ASN 149 CO -0.05 0.98 0.19 -0.07 -1.65 0.00 0.00 177.43 176.83 1jfg h LEU 150 N 0.81 0.69 -0.32 1.61 4.07 -0.80 -1.71 115.31 119.66 1jfg h LEU 150 Ca 0.15 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 1jfg h LEU 150 Cb 0.51 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1jfg h LEU 150 CO 0.02 0.68 0.19 0.40 -1.08 0.00 0.00 178.44 178.65 1jfg h ILE 151 N 0.66 1.12 -0.28 1.22 2.04 -1.14 -2.29 117.51 118.84 1jfg h ILE 151 Ca 0.16 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1jfg h ILE 151 Cb 0.21 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1jfg h ILE 151 CO -0.01 0.12 0.05 0.03 0.00 0.00 0.00 178.15 178.33 1jfg h ARG 152 N 0.41 0.47 -0.21 2.37 3.08 -1.16 -2.36 114.38 116.97 1jfg h ARG 152 Ca 0.12 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1jfg h ARG 152 Cb 0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1jfg h ARG 152 CO -0.02 0.58 -0.02 1.03 -1.07 0.00 0.00 179.97 180.46 1jfg h SER 153 N 0.29 0.29 0.11 7.04 0.87 -1.27 0.50 113.55 121.37 1jfg h SER 153 Ca 0.09 -0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.42 1jfg h SER 153 Cb 0.33 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1jfg h SER 153 CO 0.01 0.37 -0.67 0.74 -0.53 0.00 0.00 176.83 176.75 1jfg h THR 154 N 0.31 1.34 -0.51 2.23 2.02 -1.29 -0.70 112.91 116.31 1jfg h THR 154 Ca 0.07 -1.98 -0.10 0.00 0.77 0.00 0.00 66.41 65.17 1jfg h THR 154 Cb 0.25 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1jfg h THR 154 CO 0.01 0.61 -0.08 0.25 0.37 0.00 0.00 175.52 176.67 1jfg h LEU 155 N 0.37 0.95 -0.04 2.58 5.85 -0.81 -2.25 115.31 121.98 1jfg h LEU 155 Ca -0.02 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1jfg h LEU 155 Cb 1.24 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1jfg h LEU 155 CO 0.12 1.07 0.02 0.44 -0.34 0.00 0.00 178.44 179.75 1jfg h ASP 156 N 0.82 0.05 -0.86 1.25 3.32 -0.77 -2.84 116.42 117.38 1jfg h ASP 156 Ca 0.13 -0.09 0.17 0.00 0.02 0.00 0.00 57.03 57.27 1jfg h ASP 156 Cb 0.63 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.07 1jfg h ASP 156 CO 0.04 0.12 0.42 0.15 -1.72 0.00 0.00 179.24 178.25 1jfg h PHE 157 N -0.03 0.72 -0.44 4.55 3.57 -0.49 0.26 116.94 125.08 1jfg h PHE 157 Ca 0.01 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1jfg h PHE 157 Cb 0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1jfg h PHE 157 CO -0.05 0.10 0.29 0.35 -2.23 0.00 0.00 178.31 176.77 1jfg h PHE 158 N 0.54 0.55 -0.35 0.41 3.57 -1.18 -1.05 116.94 119.43 1jfg h PHE 158 Ca 0.49 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.93 1jfg h PHE 158 Cb 0.79 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1jfg h PHE 158 CO -0.11 0.34 -0.09 1.49 -2.23 0.00 0.00 178.31 177.71 1jfg h GLU 159 N 0.59 0.59 -0.55 1.11 4.81 -0.92 -2.07 114.58 118.15 1jfg h GLU 159 Ca 0.16 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1jfg h GLU 159 Cb -0.06 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1jfg h GLU 159 CO -0.04 0.68 0.31 0.78 -0.73 0.00 0.00 179.01 180.01 1jfg h GLY 160 N 0.94 0.80 1.42 1.92 0.00 -0.31 0.22 103.07 108.07 1jfg h GLY 160 Ca 0.10 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1jfg h GLY 160 CO 0.03 0.34 0.05 0.00 0.00 0.00 0.00 176.54 176.95 1jfg h TRP 162 N 0.68 -0.52 -0.79 0.00 2.91 -0.78 -2.63 115.95 114.83 1jfg h TRP 162 Ca 0.14 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.22 1jfg h TRP 162 Cb 0.36 0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.12 1jfg h TRP 162 CO 0.02 -0.26 0.47 0.82 -1.03 0.00 0.00 178.44 178.46 1jfg h ILE 163 N -0.68 1.00 0.00 2.65 2.04 -0.72 -1.81 117.51 120.00 1jfg h ILE 163 Ca -0.06 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1jfg h ILE 163 Cb 0.49 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 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 0.85 0.00 0.00 2.37 5.08 -0.87 -2.24 114.58 119.78 1jfg h GLU 164 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1jfg h GLU 164 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1jfg h GLU 164 CO -0.19 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 179.78 1jfg h GLN 165 N 0.00 0.00 -0.01 2.33 4.20 -0.95 -1.73 115.11 118.95 1jfg h GLN 165 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jfg h GLN 165 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1jfg h GLN 165 CO 0.00 0.00 -0.03 0.66 -0.67 0.00 0.00 178.83 178.79 1jfg n TYR 166 N -2.65 0.00 -4.19 2.96 4.02 -0.84 -4.95 117.16 111.51 1jfg n TYR 166 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 1jfg n TYR 166 Cb 0.16 -0.02 -0.05 0.00 -0.02 0.00 0.00 39.34 39.42 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 0.04 -1.26 -4.55 7.72 5.15 -0.65 -4.93 115.26 116.79 1jfg n ASN 167 Ca 0.18 -1.09 -0.36 0.00 -0.60 0.00 0.00 54.58 52.72 1jfg n ASN 167 Cb 0.35 -2.49 -0.11 0.00 -0.53 0.00 0.00 39.78 37.00 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 -3.74 3.17 -2.36 1.20 5.36 -1.26 -4.98 117.98 115.37 1jfg s PHE 168 Ca 0.35 -0.13 0.23 0.00 -0.96 0.00 0.00 56.93 56.42 1jfg s PHE 168 Cb -0.20 -2.16 0.49 0.00 -0.34 0.00 0.00 43.02 40.81 1jfg s PHE 168 CO 0.94 -0.08 1.44 0.41 -1.46 0.00 0.00 175.22 176.47 1jfg n GLY 169 N 4.21 1.85 0.00 13.12 0.00 -1.26 -4.99 105.19 118.13 1jfg n GLY 169 Ca -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 1.54 2.31 3.77 -0.02 0.00 -1.26 -4.26 105.19 107.27 1jfg n GLY 170 Ca 0.21 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.81 3.36 0.17 1.61 0.08 -1.26 -4.45 117.98 115.67 1jfg s PHE 171 Ca 0.00 1.64 -0.33 0.00 0.12 0.00 0.00 56.93 58.36 1jfg s PHE 171 Cb 0.00 -3.27 -0.13 0.00 -0.57 0.00 0.00 43.02 39.05 1jfg s PHE 171 CO 0.00 -0.78 1.66 -2.30 -0.10 0.00 0.00 175.22 173.71 1jfg n PRO 172 N 0.54 2.45 -0.03 0.24 -0.02 -1.26 -0.92 135.00 136.00 1jfg n PRO 172 Ca 0.02 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1jfg n PRO 172 Cb 0.47 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 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 3.73 0.33 2.85 -1.23 0.00 0.35 -4.98 105.19 106.24 1jfg n GLY 173 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 5.78 0.06 1.61 2.88 -0.10 -4.83 113.62 119.02 1jfg n SER 174 Ca 0.00 -3.21 0.18 0.00 -1.33 0.00 0.00 58.87 54.51 1jfg n SER 174 Cb 0.00 -1.40 0.71 0.00 -0.75 0.00 0.00 64.21 62.76 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 5.50 0.00 -0.00 0.66 3.86 -1.85 -2.15 115.15 121.17 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 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1jfg h HIS 175 CO 1.23 0.00 -0.13 -0.25 0.86 0.00 0.00 177.93 179.64 1jfg n ASP 176 N -4.28 0.39 0.16 2.45 8.00 -1.26 -4.31 116.55 117.70 1jfg n ASP 176 Ca 0.07 -0.39 -0.13 0.00 0.71 0.00 0.00 54.79 55.05 1jfg n ASP 176 Cb 0.51 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 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 0.41 -0.39 -0.75 1.24 3.20 -1.80 -3.04 116.97 115.85 1jfg h TYR 177 Ca 0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 1jfg h TYR 177 Cb 0.38 0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.68 1jfg h TYR 177 CO 0.00 -0.06 -0.50 -1.35 -1.64 0.00 0.00 178.16 174.60 1jfg h PRO 178 N -0.74 -0.07 0.00 1.82 0.11 -1.78 0.18 132.00 131.52 1jfg h PRO 178 Ca -0.04 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1jfg h PRO 178 Cb 0.50 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1jfg h PRO 178 CO 0.07 -0.05 -0.36 1.96 -0.21 0.00 0.00 178.00 179.41 1jfg h GLN 179 N -0.08 0.00 -0.07 1.05 4.20 -1.85 -1.18 115.11 117.19 1jfg h GLN 179 Ca 0.12 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1jfg h GLN 179 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1jfg h GLN 179 CO -0.74 0.36 0.01 0.35 -0.67 0.00 0.00 178.83 178.13 1jfg h PHE 180 N 0.00 0.01 -0.35 2.96 3.57 -1.05 -1.15 116.94 120.93 1jfg h PHE 180 Ca -0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 1jfg h PHE 180 Cb 0.81 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1jfg h PHE 180 CO 0.00 0.00 -0.36 1.25 -2.23 0.00 0.00 178.31 176.97 1jfg h LEU 181 N 0.04 0.94 -1.40 0.59 5.85 -0.79 -2.75 115.31 117.78 1jfg h LEU 181 Ca 0.03 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1jfg h LEU 181 Cb 0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1jfg h LEU 181 CO -0.05 1.21 0.29 -0.09 -0.34 0.00 0.00 178.44 179.47 1jfg h ARG 182 N 0.67 0.69 -0.11 1.25 9.65 -1.03 -1.56 114.38 123.95 1jfg h ARG 182 Ca 0.05 -0.06 -0.20 0.00 -1.10 0.00 0.00 59.98 58.67 1jfg h ARG 182 Cb 0.96 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1jfg h ARG 182 CO 0.09 0.50 -0.76 0.00 2.80 0.00 0.00 179.97 182.61 1jfg h ARG 183 N 0.71 0.58 -0.37 0.20 3.08 -1.17 -0.33 114.38 117.08 1jfg h ARG 183 Ca 0.18 -0.48 0.06 0.00 0.07 0.00 0.00 59.98 59.81 1jfg h ARG 183 Cb 0.00 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1jfg h ARG 183 CO -0.03 1.10 0.05 0.52 -1.07 0.00 0.00 179.97 180.54 1jfg h MET 184 N 0.40 0.15 -0.02 0.04 2.86 -1.00 -3.00 114.93 114.37 1jfg h MET 184 Ca -0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1jfg h MET 184 Cb 1.36 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1jfg h MET 184 CO 0.14 0.10 -0.16 0.27 1.06 0.00 0.00 176.91 178.32 1jfg n ASN 185 N -5.13 2.14 0.18 1.22 0.23 -0.77 -2.00 115.26 111.14 1jfg n ASN 185 Ca 0.02 -1.61 0.05 0.00 -0.53 0.00 0.00 54.58 52.51 1jfg n ASN 185 Cb 0.18 0.15 0.31 0.00 -2.08 0.00 0.00 39.78 38.33 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 -1.38 4.83 0.00 -0.89 -3.47 103.07 106.96 1jfg h GLY 186 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1jfg h GLY 186 CO 0.00 0.00 -0.33 1.04 0.00 0.00 0.00 176.54 177.25 1jfg n LEU 187 N -3.56 -1.37 -0.07 3.11 4.77 -1.26 -4.90 117.00 113.72 1jfg n LEU 187 Ca -0.00 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 1jfg n LEU 187 Cb 0.53 -2.23 -0.01 0.00 -2.33 0.00 0.00 43.42 39.37 1jfg n LEU 187 CO 0.38 -0.50 0.81 1.23 -1.33 0.00 0.00 177.39 177.98 1jfg h GLY 188 N 0.00 0.20 2.00 -0.72 0.00 -1.86 0.03 103.07 102.73 1jfg h GLY 188 Ca -0.33 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1jfg h GLY 188 CO 0.44 -0.11 -0.39 0.45 0.00 0.00 0.00 176.54 176.93 1jfg h HIS 189 N 0.00 0.00 -0.03 5.60 3.86 -1.88 0.91 115.15 123.62 1jfg h HIS 189 Ca 0.13 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1jfg h HIS 189 Cb 0.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1jfg h HIS 189 CO -0.27 0.39 -0.04 0.00 0.86 0.00 0.00 177.93 178.87 1jfg h VAL 191 N -0.43 0.51 -0.59 0.00 2.07 -0.92 -1.07 116.25 115.82 1jfg h VAL 191 Ca 0.00 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.44 1jfg h VAL 191 Cb 0.58 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 1jfg h VAL 191 CO 0.01 0.03 0.18 1.23 0.02 0.00 0.00 177.57 179.04 1jfg h GLY 192 N -0.75 0.79 2.00 2.17 0.00 -0.89 -2.51 103.07 103.88 1jfg h GLY 192 Ca -0.07 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 1jfg h GLY 192 CO 0.11 -0.06 -0.83 0.00 0.00 0.00 0.00 176.54 175.76 1jfg h ALA 193 N 1.44 0.60 0.00 3.60 0.00 -1.30 -3.20 119.26 120.40 1jfg h ALA 193 Ca 0.30 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jfg h ALA 193 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jfg h ALA 193 CO -0.34 1.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.81 1jfg n SER 194 N -3.51 0.00 -0.10 0.00 3.41 -0.41 -2.48 113.62 110.53 1jfg n SER 194 Ca -0.00 -0.57 0.14 0.00 -0.26 0.00 0.00 58.87 58.18 1jfg n SER 194 Cb 0.80 -0.02 0.67 0.00 -0.26 0.00 0.00 64.21 65.41 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 -1.02 0.39 -3.37 1.04 4.77 -1.18 -4.51 117.00 113.12 1jfg n LEU 195 Ca 0.14 0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 1jfg n LEU 195 Cb 0.07 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1jfg n LEU 195 CO 0.11 0.07 0.02 0.79 -1.33 0.00 0.00 177.39 177.05 1jfg n TRP 196 N -0.96 3.01 -1.74 -1.77 7.02 -1.04 -5.00 117.44 116.96 1jfg n TRP 196 Ca 0.16 -4.06 -0.41 0.00 -1.02 0.00 0.00 57.50 52.18 1jfg n TRP 196 Cb 0.26 -0.52 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 -2.30 -2.02 0.00 0.00 177.69 173.37 1jfg n PRO 197 N 0.89 2.21 0.15 -0.99 -0.02 -1.26 -4.73 135.00 131.25 1jfg n PRO 197 Ca 0.29 0.78 0.12 0.00 -2.02 0.00 0.00 63.50 62.67 1jfg n PRO 197 Cb 0.43 -2.55 0.54 0.00 -0.02 0.00 0.00 33.50 31.90 1jfg n PRO 197 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1jfg h LYS 198 N 2.33 0.00 -0.02 -0.52 2.10 -1.31 0.29 116.57 119.44 1jfg h LYS 198 Ca -0.50 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.08 1jfg h LYS 198 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1jfg h LYS 198 CO 0.61 0.00 -0.35 1.49 -2.00 0.00 0.00 179.45 179.20 1jfg h GLU 199 N 0.00 0.04 0.00 0.07 4.81 -1.89 -3.31 114.58 114.31 1jfg h GLU 199 Ca 0.00 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1jfg h GLU 199 Cb 0.30 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1jfg h GLU 199 CO 0.00 0.39 -1.37 1.04 -0.73 0.00 0.00 179.01 178.34 1jfg n GLN 200 N -4.12 1.13 -4.40 1.92 3.00 -0.75 -5.05 117.38 109.12 1jfg n GLN 200 Ca -0.02 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.73 1jfg n GLN 200 Cb 0.39 -1.17 -0.14 0.00 0.00 0.00 0.00 30.24 29.33 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 -2.38 1.14 -0.42 1.08 0.40 0.02 -5.04 117.98 112.78 1jfg s PHE 201 Ca -0.03 -0.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.81 1jfg s PHE 201 Cb 0.04 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.89 1jfg s PHE 201 CO 0.29 0.01 0.56 1.21 0.70 0.00 0.00 175.22 177.99 1jfg s ASN 202 N -0.83 6.28 0.33 1.36 3.84 -1.26 -4.12 114.94 120.54 1jfg s ASN 202 Ca 0.02 -0.40 0.07 0.00 0.21 0.00 0.00 52.86 52.76 1jfg s ASN 202 Cb -0.07 -2.28 0.75 0.00 -0.55 0.00 0.00 41.25 39.10 1jfg s ASN 202 CO 0.01 -0.68 1.84 -0.08 -2.79 0.00 0.00 177.10 175.40 1jfg h GLU 203 N 8.77 0.75 0.18 0.43 4.81 -1.93 -1.10 114.58 126.49 1jfg h GLU 203 Ca -0.26 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 58.61 1jfg h GLU 203 Cb 1.10 -0.17 0.03 0.00 0.63 0.00 0.00 28.75 30.35 1jfg h GLU 203 CO 0.85 0.49 -1.35 0.00 -0.73 0.00 0.00 179.01 178.28 1jfg h ARG 204 N 0.77 0.54 -0.06 1.92 3.08 -1.98 -1.85 114.38 116.79 1jfg h ARG 204 Ca 0.49 -0.82 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 1jfg h ARG 204 Cb 0.72 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1jfg h ARG 204 CO -0.25 1.38 -0.39 0.77 -1.07 0.00 0.00 179.97 180.41 1jfg h SER 205 N 0.19 0.14 -0.22 7.04 0.02 -1.87 -3.11 113.55 115.73 1jfg h SER 205 Ca -0.21 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 1jfg h SER 205 Cb 2.03 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 64.48 1jfg h SER 205 CO 0.25 0.52 -0.12 0.18 -1.14 0.00 0.00 176.83 176.52 1jfg n LEU 206 N -4.05 3.59 -0.22 5.07 4.77 -0.46 -4.77 117.00 120.93 1jfg n LEU 206 Ca -0.02 -3.55 0.03 0.00 -0.03 0.00 0.00 56.01 52.44 1jfg n LEU 206 Cb 0.45 -0.57 0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1jfg n LEU 206 CO 0.40 1.09 0.89 0.15 -1.33 0.00 0.00 177.39 178.59 1jfg h PHE 207 N 1.02 0.13 -0.42 -1.77 3.57 -1.26 0.45 116.94 118.67 1jfg h PHE 207 Ca 0.11 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1jfg h PHE 207 Cb 1.41 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 1jfg h PHE 207 CO 0.73 -0.11 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.63 1jfg h LEU 208 N 0.20 0.73 -0.50 0.59 3.38 -1.87 -0.72 115.31 117.13 1jfg h LEU 208 Ca 0.36 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1jfg h LEU 208 Cb 0.58 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1jfg h LEU 208 CO -0.50 0.86 -0.39 1.05 0.09 0.00 0.00 178.44 179.55 1jfg h GLU 209 N 0.57 0.80 -0.27 1.13 9.09 -1.75 -1.62 114.58 122.52 1jfg h GLU 209 Ca 0.12 -0.41 -0.04 0.00 0.05 0.00 0.00 59.36 59.07 1jfg h GLU 209 Cb 0.49 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 1jfg h GLU 209 CO 0.02 1.04 0.01 0.82 0.05 0.00 0.00 179.01 180.95 1jfg h ILE 210 N 0.65 1.25 -0.58 -1.06 2.04 -0.89 0.69 117.51 119.63 1jfg h ILE 210 Ca 0.05 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1jfg h ILE 210 Cb 0.95 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1jfg h ILE 210 CO 0.09 0.29 0.35 0.74 0.00 0.00 0.00 178.15 179.61 1jfg h THR 211 N 0.27 1.17 -0.70 -0.27 2.02 -1.11 -0.76 112.91 113.53 1jfg h THR 211 Ca 0.08 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1jfg h THR 211 Cb 0.41 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1jfg h THR 211 CO 0.01 0.18 0.24 0.28 0.37 0.00 0.00 175.52 176.60 1jfg h SER 212 N 0.78 1.00 -0.55 4.18 0.02 -1.14 -1.57 113.55 116.26 1jfg h SER 212 Ca 0.21 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1jfg h SER 212 Cb -0.01 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1jfg h SER 212 CO -0.04 0.93 0.09 0.00 -1.14 0.00 0.00 176.83 176.66 1jfg h ALA 213 N 1.11 1.04 -0.35 3.77 0.00 -0.42 -1.03 119.26 123.37 1jfg h ALA 213 Ca 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jfg h ALA 213 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1jfg h ALA 213 CO -0.01 0.61 0.18 0.82 0.00 0.00 0.00 179.25 180.85 1jfg h ILE 214 N 0.90 1.15 -0.49 0.00 2.04 -0.79 0.40 117.51 120.73 1jfg h ILE 214 Ca 0.18 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1jfg h ILE 214 Cb 0.41 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1jfg h ILE 214 CO 0.01 0.16 0.17 0.00 0.00 0.00 0.00 178.15 178.49 1jfg h ALA 215 N 1.04 0.64 0.21 1.87 0.00 -0.95 -1.81 119.26 120.26 1jfg h ALA 215 Ca 0.12 -0.17 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 1jfg h ALA 215 Cb 0.09 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.72 1jfg h ALA 215 CO -0.02 0.27 -1.51 1.96 0.00 0.00 0.00 179.25 179.96 1jfg h GLN 216 N 0.66 0.45 0.00 0.00 4.20 -1.12 -3.31 115.11 115.98 1jfg h GLN 216 Ca 0.16 -0.77 -0.03 0.00 0.06 0.00 0.00 58.65 58.06 1jfg h GLN 216 Cb 0.24 0.29 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1jfg h GLN 216 CO -0.01 1.36 -0.17 1.98 -0.67 0.00 0.00 178.83 181.33 1jfg h MET 217 N 0.12 0.00 0.15 1.46 4.05 -0.22 -2.70 114.93 117.80 1jfg h MET 217 Ca -0.26 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1jfg h MET 217 Cb 2.12 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.89 1jfg h MET 217 CO 0.24 0.17 -0.22 1.49 0.23 0.00 0.00 176.91 178.81 1jfg h GLU 218 N 0.00 -0.42 -0.11 0.39 4.81 -1.41 -2.02 114.58 115.81 1jfg h GLU 218 Ca -0.00 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1jfg h GLU 218 Cb 0.58 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1jfg h GLU 218 CO 0.02 -0.28 -0.31 -0.91 -0.73 0.00 0.00 179.01 176.80 1jfg h ASN 219 N -0.43 0.47 0.04 1.04 2.35 -1.70 -2.94 115.58 114.40 1jfg h ASN 219 Ca 0.02 -0.59 0.03 0.00 -0.55 0.00 0.00 56.30 55.20 1jfg h ASN 219 Cb 0.44 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1jfg h ASN 219 CO -0.10 0.98 -0.39 -0.25 -1.65 0.00 0.00 177.43 176.03 1jfg h TRP 220 N -0.01 -1.09 -0.54 1.19 7.01 -1.48 -0.90 115.95 120.13 1jfg h TRP 220 Ca -0.01 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.08 1jfg h TRP 220 Cb 0.93 0.47 -0.09 0.00 -2.10 0.00 0.00 29.16 28.37 1jfg h TRP 220 CO 0.11 -0.48 -0.55 1.98 -2.79 0.00 0.00 178.44 176.72 1jfg h MET 221 N -0.57 -0.28 -0.52 2.65 4.05 -1.46 0.11 114.93 118.92 1jfg h MET 221 Ca 0.04 0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.38 1jfg h MET 221 Cb 0.63 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 1jfg h MET 221 CO -0.28 -0.19 -0.07 -0.39 0.23 0.00 0.00 176.91 176.21 1jfg h VAL 222 N -0.29 1.27 -0.29 -5.77 -1.51 -1.35 -2.61 116.25 105.71 1jfg h VAL 222 Ca 0.09 -1.20 -0.13 0.00 -1.23 0.00 0.00 66.70 64.23 1jfg h VAL 222 Cb 0.53 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1jfg h VAL 222 CO -0.66 0.42 -0.36 -0.50 -1.23 0.00 0.00 177.57 175.25 1jfg h TRP 223 N 0.83 0.75 -0.45 5.19 6.55 -0.93 -0.17 115.95 127.71 1jfg h TRP 223 Ca 0.14 -0.20 -0.02 0.00 0.95 0.00 0.00 58.89 59.76 1jfg h TRP 223 Cb 0.62 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.74 1jfg h TRP 223 CO 0.05 0.91 0.21 0.28 -1.05 0.00 0.00 178.44 178.83 1jfg h VAL 224 N 0.53 1.18 -0.47 1.49 2.07 -0.73 -0.78 116.25 119.54 1jfg h VAL 224 Ca 0.05 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1jfg h VAL 224 Cb 0.86 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1jfg h VAL 224 CO 0.07 0.20 0.03 -1.13 0.02 0.00 0.00 177.57 176.77 1jfg h ASN 225 N 0.58 0.72 -0.57 0.57 -0.73 -1.26 -0.17 115.58 114.74 1jfg h ASN 225 Ca 0.15 -0.16 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1jfg h ASN 225 Cb 0.13 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1jfg h ASN 225 CO -0.02 0.77 0.19 0.44 -0.37 0.00 0.00 177.43 178.44 1jfg h ASP 226 N 0.72 0.86 0.03 1.15 3.32 -0.48 -1.52 116.42 120.50 1jfg h ASP 226 Ca 0.15 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jfg h ASP 226 Cb 0.39 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1jfg h ASP 226 CO 0.01 0.81 -0.02 0.25 -1.72 0.00 0.00 179.24 178.58 1jfg h LEU 227 N 0.89 -0.04 -2.33 1.55 5.85 -0.69 -2.54 115.31 118.01 1jfg h LEU 227 Ca 0.20 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1jfg h LEU 227 Cb 0.26 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1jfg h LEU 227 CO -0.01 0.63 -0.04 0.24 -0.34 0.00 0.00 178.44 178.92 1jfg h MET 228 N -0.73 0.00 0.00 1.25 2.86 -1.05 0.48 114.93 117.74 1jfg h MET 228 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jfg h MET 228 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1jfg h MET 228 CO 0.01 0.04 -0.53 0.43 1.06 0.00 0.00 176.91 177.92 1jfg n SER 229 N -3.67 0.56 0.23 1.22 7.64 -0.57 -4.16 113.62 114.86 1jfg n SER 229 Ca -0.03 -0.02 0.17 0.00 1.01 0.00 0.00 58.87 60.01 1jfg n SER 229 Cb 0.14 0.16 0.87 0.00 -1.01 0.00 0.00 64.21 64.36 1jfg n SER 229 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1jfg h PHE 230 N 0.00 0.00 0.05 1.43 3.57 -0.44 -1.30 116.94 120.25 1jfg h PHE 230 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1jfg h PHE 230 Cb 0.62 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.37 1jfg h PHE 230 CO 0.00 0.00 -0.47 -0.92 -2.23 0.00 0.00 178.31 174.69 1jfg h TYR 231 N 0.00 0.37 -0.04 0.41 3.20 -1.73 -2.76 116.97 116.42 1jfg h TYR 231 Ca 0.07 -0.24 -0.12 0.00 3.14 0.00 0.00 58.73 61.58 1jfg h TYR 231 Cb 0.42 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1jfg h TYR 231 CO 0.00 1.12 -0.52 1.57 -1.64 0.00 0.00 178.16 178.70 1jfg h LYS 232 N -0.49 0.10 0.00 1.82 2.10 -1.64 -3.12 116.57 115.35 1jfg h LYS 232 Ca -0.07 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.49 1jfg h LYS 232 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1jfg h LYS 232 CO 0.09 0.60 -0.22 0.93 -2.00 0.00 0.00 179.45 178.85 1jfg h GLU 233 N 0.08 0.00 -0.98 0.07 5.08 -1.37 -3.39 114.58 114.07 1jfg h GLU 233 Ca -0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1jfg h GLU 233 Cb 0.94 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.01 1jfg h GLU 233 CO 0.07 0.13 -0.27 0.35 -1.00 0.00 0.00 179.01 178.30 1jfg h PHE 234 N 0.00 -0.60 -0.17 4.33 3.57 -1.42 -1.14 116.94 121.52 1jfg h PHE 234 Ca -0.00 0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1jfg h PHE 234 Cb 1.11 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 1jfg h PHE 234 CO 0.00 -0.42 -0.18 -0.25 -2.23 0.00 0.00 178.31 175.23 1jfg n ASP 235 N -5.60 2.43 -4.47 0.41 8.00 -1.26 -4.93 116.55 111.12 1jfg n ASP 235 Ca 0.15 -3.58 -0.43 0.00 0.71 0.00 0.00 54.79 51.64 1jfg n ASP 235 Cb 0.48 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 41.00 1jfg n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jfg s ASP 236 N -2.73 6.62 0.47 -2.24 -1.08 -0.43 -4.84 116.67 112.45 1jfg s ASP 236 Ca 0.40 -1.97 0.32 0.00 -0.52 0.00 0.00 52.55 50.78 1jfg s ASP 236 Cb 0.36 -2.44 1.61 0.00 -1.46 0.00 0.00 42.92 41.00 1jfg s ASP 236 CO -0.00 -1.14 1.97 -0.33 0.52 0.00 0.00 175.17 176.18 1jfg h GLU 237 N 8.94 0.00 -0.00 4.34 5.08 -1.91 -2.03 114.58 128.99 1jfg h GLU 237 Ca 0.18 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1jfg h GLU 237 Cb 1.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.27 1jfg h GLU 237 CO 1.18 0.00 -0.27 0.00 -1.00 0.00 0.00 179.01 178.92 1jfg h ARG 238 N 0.00 0.19 -6.08 2.33 3.08 -1.97 -3.40 114.38 108.52 1jfg h ARG 238 Ca 0.00 -0.20 -0.50 0.00 0.07 0.00 0.00 59.98 59.35 1jfg h ARG 238 Cb 0.14 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1jfg h ARG 238 CO 0.00 0.93 1.21 0.34 -1.07 0.00 0.00 179.97 181.38 1jfg s ASP 239 N -6.34 5.62 -0.02 7.04 2.15 -0.76 -4.83 116.67 119.53 1jfg s ASP 239 Ca -0.16 -0.14 0.16 0.00 0.43 0.00 0.00 52.55 52.85 1jfg s ASP 239 Cb 0.01 -2.54 -0.23 0.00 -0.30 0.00 0.00 42.92 39.85 1jfg s ASP 239 CO 0.75 -2.19 0.43 0.00 -0.17 0.00 0.00 175.17 173.99 1jfg n GLN 240 N 9.20 0.79 -2.74 4.34 6.02 -1.26 -4.78 117.38 128.94 1jfg n GLN 240 Ca 0.18 -0.11 -0.24 0.00 -0.01 0.00 0.00 57.00 56.81 1jfg n GLN 240 Cb 0.50 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 1jfg n GLN 240 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1jfg n ILE 241 N -1.91 2.21 -1.85 5.09 -5.35 -1.26 -4.81 119.36 111.48 1jfg n ILE 241 Ca -0.02 -4.91 -0.31 0.00 -0.27 0.00 0.00 62.75 57.24 1jfg n ILE 241 Cb 0.38 -0.98 0.02 0.00 -1.74 0.00 0.00 39.64 37.32 1jfg n ILE 241 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1jfg s SER 242 N -3.36 5.94 0.22 7.28 1.04 -1.26 -4.78 113.70 118.78 1jfg s SER 242 Ca 0.45 1.36 -0.10 0.00 0.48 0.00 0.00 55.95 58.13 1jfg s SER 242 Cb 0.36 -2.33 0.32 0.00 0.10 0.00 0.00 66.02 64.47 1jfg s SER 242 CO -0.13 -1.05 1.64 0.25 0.98 0.00 0.00 173.24 174.93 1jfg h LEU 243 N -0.45 -0.39 -0.36 2.42 5.85 -1.98 0.14 115.31 120.55 1jfg h LEU 243 Ca -0.44 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1jfg h LEU 243 Cb 1.21 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 1jfg h LEU 243 CO 0.62 -0.16 0.19 0.58 -0.34 0.00 0.00 178.44 179.33 1jfg h VAL 244 N 0.08 1.01 -0.07 1.05 2.07 -1.93 -1.51 116.25 116.95 1jfg h VAL 244 Ca 0.34 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.64 1jfg h VAL 244 Cb 0.57 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1jfg h VAL 244 CO -0.61 0.07 -0.39 0.11 0.02 0.00 0.00 177.57 176.78 1jfg h LYS 245 N 0.39 0.15 0.00 1.57 1.57 -1.51 -2.44 116.57 116.30 1jfg h LYS 245 Ca 0.15 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1jfg h LYS 245 Cb 0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1jfg h LYS 245 CO -0.09 0.52 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.10 1jfg h ASN 246 N 0.13 0.00 -0.26 0.86 2.35 -0.48 -2.64 115.58 115.54 1jfg h ASN 246 Ca 0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1jfg h ASN 246 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1jfg h ASN 246 CO 0.06 0.31 0.04 1.88 -1.65 0.00 0.00 177.43 178.06 1jfg h TYR 247 N 0.00 0.47 0.24 1.19 0.05 -0.81 0.20 116.97 118.31 1jfg h TYR 247 Ca -0.00 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.72 1jfg h TYR 247 Cb 1.00 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 1jfg h TYR 247 CO 0.00 0.56 -0.34 0.28 -1.05 0.00 0.00 178.16 177.60 1jfg h VAL 248 N 0.25 0.29 0.26 -2.88 2.07 -1.33 0.13 116.25 115.03 1jfg h VAL 248 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1jfg h VAL 248 Cb 0.34 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1jfg h VAL 248 CO 0.01 0.00 -0.12 0.58 0.02 0.00 0.00 177.57 178.05 1jfg h VAL 249 N -0.65 0.80 -0.36 2.57 2.07 -1.43 0.11 116.25 119.36 1jfg h VAL 249 Ca 0.00 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 1jfg h VAL 249 Cb 0.62 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1jfg h VAL 249 CO -0.13 0.09 -0.38 0.28 0.02 0.00 0.00 177.57 177.46 1jfg h SER 250 N -0.55 0.91 0.15 0.57 0.02 -0.63 -3.28 113.55 110.74 1jfg h SER 250 Ca -0.04 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1jfg h SER 250 Cb 0.41 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1jfg h SER 250 CO 0.06 1.18 -0.73 0.47 -1.14 0.00 0.00 176.83 176.66 1jfg n ASP 251 N -4.05 1.01 -3.35 3.07 8.00 0.46 -0.50 116.55 121.19 1jfg n ASP 251 Ca -0.02 -0.86 -0.17 0.00 0.71 0.00 0.00 54.79 54.46 1jfg n ASP 251 Cb 0.53 0.65 0.05 0.00 -0.02 0.00 0.00 41.12 42.33 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 -1.23 -1.75 -4.24 -1.24 1.02 0.01 -4.90 120.64 108.32 1jfg n GLU 252 Ca 0.06 0.89 -0.13 0.00 -0.02 0.00 0.00 57.16 57.96 1jfg n GLU 252 Cb 0.35 -5.21 -0.10 0.00 -0.02 0.00 0.00 31.44 26.46 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 -3.31 0.39 0.59 -3.67 -4.36 -1.12 -5.06 121.20 104.66 1jfg s ILE 253 Ca 0.35 -1.97 -0.16 0.00 -0.26 0.00 0.00 60.65 58.60 1jfg s ILE 253 Cb -0.07 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 1jfg s ILE 253 CO 0.78 -0.25 1.08 -0.94 0.24 0.00 0.00 174.94 175.85 1jfg s SER 254 N -3.18 5.67 0.44 4.36 1.04 -1.26 -4.48 113.70 116.29 1jfg s SER 254 Ca 0.31 1.92 0.19 0.00 0.48 0.00 0.00 55.95 58.85 1jfg s SER 254 Cb 0.07 -2.55 1.14 0.00 0.10 0.00 0.00 66.02 64.78 1jfg s SER 254 CO 0.08 -1.25 1.88 0.25 0.98 0.00 0.00 173.24 175.18 1jfg h LEU 255 N 0.55 0.34 -0.30 2.42 5.85 -1.96 0.46 115.31 122.67 1jfg h LEU 255 Ca -0.47 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1jfg h LEU 255 Cb 1.23 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1jfg h LEU 255 CO 0.57 0.14 -0.01 -0.74 -0.34 0.00 0.00 178.44 178.06 1jfg h HIS 256 N 0.34 0.60 -0.34 1.25 2.76 -1.99 -2.28 115.15 115.49 1jfg h HIS 256 Ca 0.44 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 58.42 1jfg h HIS 256 Cb 1.17 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 1jfg h HIS 256 CO -0.00 0.69 -0.11 0.93 -1.30 0.00 0.00 177.93 178.14 1jfg h GLU 257 N 0.33 0.58 -0.57 5.26 5.08 -1.32 -0.76 114.58 123.19 1jfg h GLU 257 Ca 0.08 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1jfg h GLU 257 Cb 0.46 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1jfg h GLU 257 CO 0.02 0.69 0.27 0.00 -1.00 0.00 0.00 179.01 178.98 1jfg h ALA 258 N 1.35 1.40 0.00 3.43 0.00 -1.05 -0.16 119.26 124.23 1jfg h ALA 258 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jfg h ALA 258 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jfg h ALA 258 CO 0.03 0.47 -0.19 1.25 0.00 0.00 0.00 179.25 180.80 1jfg h LEU 259 N 0.80 0.00 0.01 0.00 5.85 -0.78 -0.74 115.31 120.45 1jfg h LEU 259 Ca 0.20 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.65 1jfg h LEU 259 Cb 0.09 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.14 1jfg h LEU 259 CO -0.03 0.19 -1.04 -0.33 -0.34 0.00 0.00 178.44 176.90 1jfg h GLU 260 N 0.00 0.69 -0.34 1.25 5.08 0.28 -2.19 114.58 119.35 1jfg h GLU 260 Ca -0.00 -0.75 -0.01 0.00 -1.00 0.00 0.00 59.36 57.60 1jfg h GLU 260 Cb 1.01 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1jfg h GLU 260 CO 0.03 1.33 0.19 -0.22 -1.00 0.00 0.00 179.01 179.33 1jfg h LYS 261 N 0.37 0.48 -0.76 2.33 3.64 -0.69 -1.78 116.57 120.16 1jfg h LYS 261 Ca -0.13 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 1jfg h LYS 261 Cb 1.70 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.39 1jfg h LYS 261 CO 0.20 0.40 0.38 1.25 -2.27 0.00 0.00 179.45 179.42 1jfg h LEU 262 N 0.43 0.98 -0.56 5.20 5.85 -1.11 -1.88 115.31 124.21 1jfg h LEU 262 Ca 0.12 -0.12 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1jfg h LEU 262 Cb 0.06 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1jfg h LEU 262 CO -0.02 0.82 -0.69 0.71 -0.34 0.00 0.00 178.44 178.92 1jfg h THR 263 N 1.06 1.44 -0.18 1.05 1.35 -1.23 -1.53 112.91 114.88 1jfg h THR 263 Ca 0.26 -2.24 -0.03 0.00 -0.55 0.00 0.00 66.41 63.85 1jfg h THR 263 Cb 0.09 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 1jfg h THR 263 CO -0.04 0.65 -0.02 1.56 -0.25 0.00 0.00 175.52 177.43 1jfg h GLN 264 N 0.10 0.32 -0.68 4.72 4.20 -1.14 0.99 115.11 123.62 1jfg h GLN 264 Ca -0.02 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.59 1jfg h GLN 264 Cb 1.23 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 1jfg h GLN 264 CO 0.10 0.56 0.45 -0.44 -0.67 0.00 0.00 178.83 178.83 1jfg h ASP 265 N 0.05 0.79 -0.01 1.46 3.32 -1.31 -0.95 116.42 119.77 1jfg h ASP 265 Ca 0.05 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jfg h ASP 265 Cb 0.42 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1jfg h ASP 265 CO 0.01 0.57 0.01 0.74 -1.72 0.00 0.00 179.24 178.85 1jfg h THR 266 N 0.93 1.12 -0.33 0.35 2.02 -1.08 0.34 112.91 116.25 1jfg h THR 266 Ca 0.25 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jfg h THR 266 Cb -0.11 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1jfg h THR 266 CO -0.05 0.09 0.16 -0.07 0.37 0.00 0.00 175.52 176.02 1jfg h LEU 267 N -0.13 0.44 -0.37 2.58 3.38 -0.69 -1.29 115.31 119.23 1jfg h LEU 267 Ca 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jfg h LEU 267 Cb 0.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1jfg h LEU 267 CO -0.00 0.44 0.22 -0.74 0.09 0.00 0.00 178.44 178.45 1jfg h HIS 268 N 0.40 0.50 -0.87 1.13 2.76 -1.11 -0.87 115.15 117.10 1jfg h HIS 268 Ca 0.11 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 1jfg h HIS 268 Cb 0.12 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 1jfg h HIS 268 CO -0.02 0.38 0.57 1.03 -1.30 0.00 0.00 177.93 178.59 1jfg h SER 269 N 0.48 0.88 -0.09 3.26 0.87 -0.73 -1.74 113.55 116.49 1jfg h SER 269 Ca 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1jfg h SER 269 Cb 0.03 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1jfg h SER 269 CO -0.02 0.58 0.03 0.28 -0.53 0.00 0.00 176.83 177.16 1jfg h SER 270 N 1.01 0.13 0.34 6.23 0.02 -0.44 -1.97 113.55 118.87 1jfg h SER 270 Ca 0.37 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jfg h SER 270 Cb 0.16 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1jfg h SER 270 CO -0.13 0.31 -0.42 0.11 -1.14 0.00 0.00 176.83 175.56 1jfg h LYS 271 N -0.05 -0.78 -0.41 3.45 1.57 -0.62 -2.29 116.57 117.45 1jfg h LYS 271 Ca 0.03 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1jfg h LYS 271 Cb 0.23 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1jfg h LYS 271 CO -0.00 -0.52 0.32 1.96 -0.57 0.00 0.00 179.45 180.64 1jfg h GLN 272 N -0.81 0.00 -0.03 3.15 1.08 -1.31 0.44 115.11 117.64 1jfg h GLN 272 Ca -0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1jfg h GLN 272 Cb 0.74 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1jfg h GLN 272 CO -0.11 0.00 0.01 0.52 -0.95 0.00 0.00 178.83 178.30 1jfg h MET 273 N 0.00 0.04 0.46 1.46 2.86 -0.78 -1.54 114.93 117.43 1jfg h MET 273 Ca 0.19 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1jfg h MET 273 Cb 0.84 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1jfg h MET 273 CO -0.00 0.13 -0.22 0.28 1.06 0.00 0.00 176.91 178.16 1jfg h VAL 274 N -0.07 0.47 -0.95 -2.22 2.07 -0.84 -2.37 116.25 112.34 1jfg h VAL 274 Ca 0.01 -0.38 0.26 0.00 0.82 0.00 0.00 66.70 67.41 1jfg h VAL 274 Cb 0.11 0.63 -0.14 0.00 -1.52 0.00 0.00 31.29 30.37 1jfg h VAL 274 CO -0.00 0.06 0.45 0.00 0.02 0.00 0.00 177.57 178.10 1jfg h ALA 275 N -0.48 1.63 0.20 1.67 0.00 -0.95 -1.05 119.26 120.28 1jfg h ALA 275 Ca -0.06 0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 1jfg h ALA 275 Cb 0.58 0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.56 1jfg h ALA 275 CO 0.10 -0.43 -1.19 0.28 0.00 0.00 0.00 179.25 178.01 1jfg h VAL 276 N 0.36 1.36 -0.01 0.00 2.07 -1.27 -3.40 116.25 115.37 1jfg h VAL 276 Ca 0.63 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 65.54 1jfg h VAL 276 Cb 1.30 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 1jfg h VAL 276 CO -0.57 0.77 -0.60 0.49 0.02 0.00 0.00 177.57 177.68 1jfg n PHE 277 N -3.91 0.00 -0.02 1.57 3.72 -0.90 -4.45 117.46 113.47 1jfg n PHE 277 Ca -0.16 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.15 1jfg n PHE 277 Cb 0.97 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.44 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 1.29 -0.45 -0.03 4.37 0.02 -1.41 -2.80 113.55 114.53 1jfg h SER 278 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1jfg h SER 278 Cb 0.62 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1jfg h SER 278 CO 0.00 -0.18 0.00 -0.90 -1.14 0.00 0.00 176.83 174.61 1jfg n ASP 279 N -5.29 1.45 -3.06 3.07 5.75 -1.26 -4.93 116.55 112.27 1jfg n ASP 279 Ca -0.02 -1.51 -0.16 0.00 -0.01 0.00 0.00 54.79 53.10 1jfg n ASP 279 Cb 0.21 -0.01 0.11 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.14 -0.63 -1.72 0.11 4.01 -1.06 -4.90 118.16 114.11 1jfg n LYS 280 Ca 0.19 -1.14 -0.65 0.00 -0.51 0.00 0.00 58.31 56.20 1jfg n LYS 280 Cb 0.34 -0.71 -0.09 0.00 -0.51 0.00 0.00 35.03 34.06 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 -3.42 1.46 -0.19 4.39 -0.08 -1.26 -4.78 116.55 112.66 1jfg n ASP 281 Ca 0.09 1.16 0.13 0.00 -1.51 0.00 0.00 54.79 54.66 1jfg n ASP 281 Cb 0.31 -0.95 0.45 0.00 2.34 0.00 0.00 41.12 43.27 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 5.46 0.51 -0.20 -0.67 0.13 -1.91 -1.09 132.00 134.23 1jfg h PRO 282 Ca -0.45 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 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 0.95 0.34 -0.29 0.37 -0.23 0.00 0.00 178.00 179.15 1jfg h GLN 283 N 0.53 0.39 -0.17 0.86 4.15 -1.99 -0.76 115.11 118.11 1jfg h GLN 283 Ca 0.38 -0.15 -0.10 0.00 0.77 0.00 0.00 58.65 59.55 1jfg h GLN 283 Cb 0.75 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1jfg h GLN 283 CO -0.14 0.65 -0.29 0.28 -1.93 0.00 0.00 178.83 177.40 1jfg h VAL 284 N 0.35 1.35 -0.15 2.39 2.07 -1.58 -2.60 116.25 118.07 1jfg h VAL 284 Ca 0.05 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 1jfg h VAL 284 Cb 0.69 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1jfg h VAL 284 CO 0.05 0.46 -0.09 -0.03 0.02 0.00 0.00 177.57 177.98 1jfg h MET 285 N 0.14 0.23 0.08 1.57 1.85 -1.18 -1.33 114.93 116.28 1jfg h MET 285 Ca 0.01 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1jfg h MET 285 Cb 0.88 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.87 1jfg h MET 285 CO 0.07 0.34 -0.04 0.22 -0.40 0.00 0.00 176.91 177.10 1jfg h ASP 286 N 0.23 -0.09 -0.54 1.39 3.58 -1.01 0.42 116.42 120.40 1jfg h ASP 286 Ca 0.05 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1jfg h ASP 286 Cb 0.31 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1jfg h ASP 286 CO 0.02 0.11 0.29 0.74 -2.88 0.00 0.00 179.24 177.51 1jfg h THR 287 N -0.28 1.19 -0.43 2.25 2.02 -1.18 0.14 112.91 116.62 1jfg h THR 287 Ca -0.01 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1jfg h THR 287 Cb 0.24 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1jfg h THR 287 CO 0.02 0.21 0.16 0.40 0.37 0.00 0.00 175.52 176.67 1jfg h ILE 288 N 0.73 1.21 0.12 3.11 2.04 -1.12 -1.24 117.51 122.35 1jfg h ILE 288 Ca 0.19 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1jfg h ILE 288 Cb 0.07 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1jfg h ILE 288 CO -0.03 0.24 -0.06 -0.08 0.00 0.00 0.00 178.15 178.23 1jfg h GLU 289 N 0.56 -0.15 0.00 2.37 4.57 0.08 -2.51 114.58 119.49 1jfg h GLU 289 Ca 0.14 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1jfg h GLU 289 Cb 0.22 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1jfg h GLU 289 CO -0.01 -0.09 -0.27 0.00 -1.18 0.00 0.00 179.01 177.46 1jfg h PHE 291 N 0.00 0.07 -0.67 0.00 3.57 -1.05 -1.62 116.94 117.24 1jfg h PHE 291 Ca -0.00 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1jfg h PHE 291 Cb 0.51 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1jfg h PHE 291 CO 0.00 0.61 0.36 0.52 -2.23 0.00 0.00 178.31 177.57 1jfg h MET 292 N -0.49 0.62 -0.04 1.11 2.86 -1.36 0.25 114.93 117.89 1jfg h MET 292 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1jfg h MET 292 Cb 0.61 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1jfg h MET 292 CO 0.01 0.41 -0.10 0.45 1.06 0.00 0.00 176.91 178.74 1jfg h HIS 293 N 0.64 0.18 -0.84 -0.22 3.86 -1.56 -2.63 115.15 114.58 1jfg h HIS 293 Ca 0.31 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1jfg h HIS 293 Cb 0.25 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1jfg h HIS 293 CO -0.09 0.70 0.46 0.78 0.86 0.00 0.00 177.93 180.64 1jfg h GLY 294 N -0.39 1.25 1.00 2.45 0.00 -1.13 0.17 103.07 106.41 1jfg h GLY 294 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1jfg h GLY 294 CO 0.02 0.54 0.36 -1.82 0.00 0.00 0.00 176.54 175.64 1jfg h TYR 295 N 1.18 0.84 -0.33 5.60 3.20 -0.52 0.11 116.97 127.05 1jfg h TYR 295 Ca 0.30 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.02 1jfg h TYR 295 Cb 0.02 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1jfg h TYR 295 CO 0.01 0.59 -0.32 0.28 -1.64 0.00 0.00 178.16 177.09 1jfg h VAL 296 N 0.85 1.29 -0.49 1.81 2.07 -1.08 -2.42 116.25 118.28 1jfg h VAL 296 Ca 0.22 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.31 1jfg h VAL 296 Cb 0.02 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1jfg h VAL 296 CO -0.04 0.49 0.19 0.74 0.02 0.00 0.00 177.57 178.97 1jfg h THR 297 N 0.57 0.87 -0.34 2.57 2.02 -0.59 0.46 112.91 118.47 1jfg h THR 297 Ca 0.05 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.15 1jfg h THR 297 Cb 0.90 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1jfg h THR 297 CO 0.08 0.07 0.08 -0.25 0.37 0.00 0.00 175.52 175.87 1jfg h TRP 298 N 0.38 0.13 -0.84 3.16 7.01 -0.66 0.25 115.95 125.38 1jfg h TRP 298 Ca 0.23 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 1jfg h TRP 298 Cb 0.21 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 1jfg h TRP 298 CO -0.14 0.03 0.46 0.45 -2.79 0.00 0.00 178.44 176.45 1jfg h HIS 299 N 0.20 1.15 -0.14 2.65 3.86 -0.87 -1.44 115.15 120.56 1jfg h HIS 299 Ca 0.16 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1jfg h HIS 299 Cb 0.17 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1jfg h HIS 299 CO -0.18 0.80 -0.37 -0.07 0.86 0.00 0.00 177.93 178.97 1jfg h LEU 300 N 1.17 0.31 0.00 2.43 3.38 0.08 -3.31 115.31 119.37 1jfg h LEU 300 Ca 0.30 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1jfg h LEU 300 Cb 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1jfg h LEU 300 CO -0.05 0.66 -1.69 0.00 0.09 0.00 0.00 178.44 177.45 1jfg s ASP 302 N -4.89 7.04 0.33 0.00 -1.08 -0.56 -4.87 116.67 112.66 1jfg s ASP 302 Ca -0.06 1.29 0.13 0.00 -0.52 0.00 0.00 52.55 53.40 1jfg s ASP 302 Cb 0.12 -2.50 1.03 0.00 -1.46 0.00 0.00 42.92 40.10 1jfg s ASP 302 CO 0.86 -0.53 1.68 0.03 0.52 0.00 0.00 175.17 177.73 1jfg h ARG 303 N 7.39 0.36 -0.85 4.34 2.47 -1.90 -2.19 114.38 123.99 1jfg h ARG 303 Ca -0.25 -0.02 0.19 0.00 -1.26 0.00 0.00 59.98 58.64 1jfg h ARG 303 Cb 1.10 -0.08 -0.16 0.00 -1.65 0.00 0.00 29.97 29.18 1jfg h ARG 303 CO 0.90 0.24 -0.13 -2.13 0.56 0.00 0.00 179.97 179.41 1jfg n ARG 304 N -5.02 -0.07 0.00 0.04 0.63 -1.26 0.09 116.66 111.06 1jfg n ARG 304 Ca 0.30 1.31 0.14 0.00 -0.92 0.00 0.00 57.85 58.68 1jfg n ARG 304 Cb 0.92 -2.00 0.58 0.00 0.45 0.00 0.00 32.46 32.40 1jfg n ARG 304 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1jfg n TYR 305 N -5.33 0.00 -2.16 -0.14 4.01 -0.82 -4.92 117.16 107.79 1jfg n TYR 305 Ca 0.16 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.81 1jfg n TYR 305 Cb 0.51 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.43 -2.13 0.30 -0.72 1.74 0.11 -4.35 116.66 110.18 1jfg n ARG 306 Ca 0.08 0.45 0.20 0.00 -0.77 0.00 0.00 57.85 57.81 1jfg n ARG 306 Cb 0.32 -4.92 0.92 0.00 -1.02 0.00 0.00 32.46 27.77 1jfg n ARG 306 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jfg h LEU 307 N 0.00 0.00 -2.33 0.55 3.38 -1.84 -1.19 115.31 113.88 1jfg h LEU 307 Ca -0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1jfg h LEU 307 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1jfg h LEU 307 CO 0.25 0.00 -0.03 0.77 0.09 0.00 0.00 178.44 179.52 1jfg h SER 308 N 0.00 0.00 0.09 -0.43 4.64 -1.87 0.39 113.55 116.37 1jfg h SER 308 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1jfg h SER 308 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1jfg h SER 308 CO 0.00 0.03 -0.21 -0.33 -0.87 0.00 0.00 176.83 175.45 1jfg h GLU 309 N 0.00 0.23 0.02 4.77 5.08 -1.59 0.07 114.58 123.15 1jfg h GLU 309 Ca -0.00 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.09 1jfg h GLU 309 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1jfg h GLU 309 CO 0.00 0.43 -0.93 0.82 -1.00 0.00 0.00 179.01 178.33 1jfg h ILE 310 N 0.21 1.57 -0.27 3.13 2.04 -1.08 -3.08 117.51 120.04 1jfg h ILE 310 Ca 0.04 -2.90 -0.16 0.00 1.00 0.00 0.00 64.86 62.84 1jfg h ILE 310 Cb 0.49 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1jfg h ILE 310 CO 0.03 0.84 -0.49 0.22 0.00 0.00 0.00 178.15 178.75 1jfg h TYR 311 N 0.05 0.90 0.00 1.37 3.20 -1.05 -2.75 116.97 118.70 1jfg h TYR 311 Ca -0.04 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.53 1jfg h TYR 311 Cb 1.60 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.70 1jfg h TYR 311 CO 0.02 1.07 0.00 -1.91 -1.64 0.00 0.00 178.16 175.70 1jfg n GLU 312 N -4.00 0.30 -0.04 1.82 4.07 -0.03 -1.33 120.64 121.43 1jfg n GLU 312 Ca -0.03 0.10 -0.01 0.00 -0.06 0.00 0.00 57.16 57.16 1jfg n GLU 312 Cb 0.59 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 30.36 1jfg n GLU 312 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1jfg n LYS 313 N -1.26 1.32 -0.04 5.31 4.81 -1.06 -4.56 118.16 122.68 1jfg n LYS 313 Ca 0.10 -0.05 0.03 0.00 -0.87 0.00 0.00 58.31 57.51 1jfg n LYS 313 Cb 0.15 -1.32 0.05 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.25 0.47 -0.34 3.15 0.24 -1.08 -4.74 118.33 113.77 1jfg n VAL 314 Ca -0.13 -0.73 0.20 0.00 -2.04 0.00 0.00 64.34 61.64 1jfg n VAL 314 Cb 0.67 0.83 0.39 0.00 -1.47 0.00 0.00 33.84 34.26 1jfg n VAL 314 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1jfg h LYS 315 N 1.05 0.01 -0.00 7.34 3.64 -1.45 -1.72 116.57 125.43 1jfg h LYS 315 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jfg h LYS 315 Cb 0.41 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1jfg h LYS 315 CO 0.00 0.01 -0.59 0.39 -2.27 0.00 0.00 179.45 176.99 1jfg n GLU 316 N -5.41 2.18 -1.59 1.90 1.02 -1.26 -5.02 120.64 112.46 1jfg n GLU 316 Ca 0.28 -0.17 -0.37 0.00 -0.02 0.00 0.00 57.16 56.87 1jfg n GLU 316 Cb 0.94 -1.19 0.06 0.00 -0.02 0.00 0.00 31.44 31.23 1jfg n GLU 316 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1jfg n GLU 317 N -1.07 0.80 -0.87 3.49 1.02 -0.65 -4.91 120.64 118.45 1jfg n GLU 317 Ca 0.03 0.32 -0.04 0.00 -0.02 0.00 0.00 57.16 57.45 1jfg n GLU 317 Cb 0.24 -2.13 0.26 0.00 -0.02 0.00 0.00 31.44 29.79 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 -1.04 3.00 -2.26 3.49 4.76 -1.26 -4.66 118.16 120.19 1jfg n LYS 318 Ca 0.14 -3.05 -0.30 0.00 -2.87 0.00 0.00 58.31 52.23 1jfg n LYS 318 Cb 0.48 -2.05 -0.00 0.00 -1.84 0.00 0.00 35.03 31.62 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 -3.05 4.77 0.05 -0.18 2.01 -1.26 -4.99 115.64 112.99 1jfg s THR 319 Ca 0.50 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.88 1jfg s THR 319 Cb 0.42 -3.84 -0.17 0.00 0.01 0.00 0.00 72.50 68.91 1jfg s THR 319 CO 0.09 -0.96 1.50 -0.08 -0.69 0.00 0.00 174.62 174.49 1jfg h GLU 320 N 0.10 -0.54 0.30 4.92 4.81 -2.00 -2.89 114.58 119.27 1jfg h GLU 320 Ca -0.45 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.80 1jfg h GLU 320 Cb 1.19 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1jfg h GLU 320 CO 0.62 -0.29 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.02 1jfg h ASP 321 N -0.69 -0.34 -1.03 1.04 3.32 -1.95 -2.41 116.42 114.36 1jfg h ASP 321 Ca -0.06 -0.04 0.28 0.00 0.02 0.00 0.00 57.03 57.24 1jfg h ASP 321 Cb 0.50 0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.01 1jfg h ASP 321 CO 0.09 -0.18 0.62 0.00 -1.72 0.00 0.00 179.24 178.05 1jfg h ALA 322 N 0.22 1.98 -0.03 3.45 0.00 -1.93 0.21 119.26 123.16 1jfg h ALA 322 Ca -0.04 0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1jfg h ALA 322 Cb 0.35 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1jfg h ALA 322 CO 0.07 -0.48 -0.82 1.96 0.00 0.00 0.00 179.25 179.98 1jfg h GLN 323 N 0.45 0.60 -0.67 0.00 4.20 -1.34 -2.06 115.11 116.29 1jfg h GLN 323 Ca 0.67 -0.61 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1jfg h GLN 323 Cb 1.47 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.39 1jfg h GLN 323 CO -0.47 1.22 0.24 0.87 -0.67 0.00 0.00 178.83 180.02 1jfg h LYS 324 N 0.22 1.00 0.55 1.46 1.57 -0.60 -1.39 116.57 119.38 1jfg h LYS 324 Ca -0.09 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1jfg h LYS 324 Cb 1.49 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.64 1jfg h LYS 324 CO 0.16 0.84 -0.26 0.35 -0.57 0.00 0.00 179.45 179.97 1jfg h PHE 325 N 0.98 -0.68 -0.77 -1.35 3.57 -0.65 -1.58 116.94 116.45 1jfg h PHE 325 Ca 0.22 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.83 1jfg h PHE 325 Cb 0.23 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1jfg h PHE 325 CO 0.02 -0.39 0.51 0.00 -2.23 0.00 0.00 178.31 176.22 1jfg h LYS 327 N 0.58 0.27 -0.33 0.00 1.57 -1.12 -0.96 116.57 116.58 1jfg h LYS 327 Ca 0.37 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1jfg h LYS 327 Cb 0.63 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1jfg h LYS 327 CO -0.14 0.73 0.12 0.74 -0.57 0.00 0.00 179.45 180.33 1jfg h PHE 328 N -0.17 0.22 -0.99 -1.35 0.04 -0.42 -0.57 116.94 113.71 1jfg h PHE 328 Ca 0.01 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1jfg h PHE 328 Cb 0.70 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.73 1jfg h PHE 328 CO 0.10 0.10 0.64 -0.92 -0.60 0.00 0.00 178.31 177.63 1jfg h TYR 329 N 0.27 1.18 -0.23 -0.55 5.03 -0.55 0.10 116.97 122.22 1jfg h TYR 329 Ca 0.15 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.35 1jfg h TYR 329 Cb 0.11 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 37.99 1jfg h TYR 329 CO -0.13 0.60 -0.41 0.93 -1.32 0.00 0.00 178.16 177.83 1jfg h GLU 330 N 1.14 0.55 -0.09 1.82 5.08 -0.60 -0.01 114.58 122.47 1jfg h GLU 330 Ca 0.43 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1jfg h GLU 330 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jfg h GLU 330 CO -0.18 0.86 0.03 1.96 -1.00 0.00 0.00 179.01 180.68 1jfg h GLN 331 N 0.45 0.14 0.22 2.33 4.20 0.08 0.30 115.11 122.83 1jfg h GLN 331 Ca 0.04 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1jfg h GLN 331 Cb 0.90 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.62 1jfg h GLN 331 CO 0.08 0.27 -0.49 0.00 -0.67 0.00 0.00 178.83 178.03 1jfg h ALA 332 N 0.86 -0.95 -0.62 3.87 0.00 -0.62 -2.05 119.26 119.76 1jfg h ALA 332 Ca 0.03 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1jfg h ALA 332 Cb 0.19 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1jfg h ALA 332 CO -0.00 -1.09 0.21 0.00 0.00 0.00 0.00 179.25 178.36 1jfg h ALA 333 N -0.49 0.79 -0.98 0.00 0.00 -0.87 1.13 119.26 118.82 1jfg h ALA 333 Ca -0.01 0.10 0.34 0.00 0.00 0.00 0.00 54.91 55.34 1jfg h ALA 333 Cb 0.76 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 1jfg h ALA 333 CO -0.21 -0.22 0.40 -0.97 0.00 0.00 0.00 179.25 178.25 1jfg h ASN 334 N 0.38 0.17 0.00 0.00 -1.24 0.33 -2.03 115.58 113.18 1jfg h ASN 334 Ca 0.32 0.24 -0.01 0.00 0.71 0.00 0.00 56.30 57.56 1jfg h ASN 334 Cb 0.42 0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 1jfg h ASN 334 CO -0.33 -0.31 -1.36 1.33 -1.29 0.00 0.00 177.43 175.47 1jfg n VAL 335 N -5.25 0.03 -0.04 2.57 0.24 -0.69 -4.81 118.33 110.38 1jfg n VAL 335 Ca 0.31 -0.18 0.02 0.00 -2.04 0.00 0.00 64.34 62.44 1jfg n VAL 335 Cb 1.03 0.25 -0.16 0.00 -1.47 0.00 0.00 33.84 33.49 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 2.09 -1.02 3.59 7.63 0.00 0.38 -4.78 105.19 113.09 1jfg n GLY 336 Ca -0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.05 2.87 -0.04 4.61 0.00 -0.80 -4.93 121.76 120.42 1jfg s ALA 337 Ca -0.08 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1jfg s ALA 337 Cb 0.10 -4.03 0.01 0.00 0.00 0.00 0.00 23.12 19.20 1jfg s ALA 337 CO 0.87 -2.73 -0.08 0.08 0.00 0.00 0.00 175.76 173.90 1jfg s VAL 338 N 6.22 0.75 0.16 0.00 1.01 -1.26 -4.97 120.40 122.31 1jfg s VAL 338 Ca 0.63 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 1jfg s VAL 338 Cb -0.14 -0.70 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1jfg s VAL 338 CO 0.30 0.25 1.35 -0.55 0.00 0.00 0.00 175.10 176.45 1jfg s SER 339 N 0.48 6.85 0.51 3.32 0.15 -1.26 -4.90 113.70 118.86 1jfg s SER 339 Ca -0.08 2.37 0.22 0.00 0.70 0.00 0.00 55.95 59.17 1jfg s SER 339 Cb -0.11 -2.60 1.32 0.00 -1.71 0.00 0.00 66.02 62.91 1jfg s SER 339 CO 0.01 -0.59 2.02 -0.65 1.20 0.00 0.00 173.24 175.23 1jfg h PRO 340 N 6.04 0.06 0.00 5.44 0.11 -2.00 -1.12 132.00 140.53 1jfg h PRO 340 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1jfg h PRO 340 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jfg h PRO 340 CO 0.82 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 1jfg n SER 341 N -4.42 0.01 -0.16 -2.05 3.41 -1.26 -0.57 113.62 108.57 1jfg n SER 341 Ca 0.07 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1jfg n SER 341 Cb 0.47 -0.50 0.32 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.51 0.54 0.00 4.33 1.02 -0.42 -4.73 120.64 119.86 1jfg n GLU 342 Ca 0.02 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 1jfg n GLU 342 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 -0.95 0.00 -2.40 -0.32 4.27 -0.83 -4.86 117.44 112.35 1jfg n TRP 343 Ca 0.10 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.28 1jfg n TRP 343 Cb 0.34 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.29 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 4.20 -3.51 -1.67 0.00 0.26 -4.51 120.51 113.87 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 15.91 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 3.38 -0.64 0.88 0.00 -0.85 -1.26 -4.66 117.35 114.20 1jfg s TYR 345 Ca 0.50 1.05 -0.13 0.00 -0.52 0.00 0.00 57.07 57.97 1jfg s TYR 345 Cb 0.06 0.42 0.15 0.00 0.38 0.00 0.00 41.96 42.97 1jfg s TYR 345 CO 0.02 -0.62 1.23 -1.25 -1.52 0.00 0.00 175.55 173.41 1jfg s PRO 346 N -1.40 1.21 0.57 -3.49 0.04 -1.26 -4.83 135.00 125.84 1jfg s PRO 346 Ca -0.10 -0.32 -0.19 0.00 0.04 0.00 0.00 61.00 60.43 1jfg s PRO 346 Cb -0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1jfg s PRO 346 CO 0.08 -2.02 1.15 -1.25 0.04 0.00 0.00 177.00 175.00 1jfg s PRO 347 N -5.69 3.18 0.24 0.56 0.04 -1.26 -4.91 135.00 127.16 1jfg s PRO 347 Ca 0.69 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 63.34 1jfg s PRO 347 Cb -0.06 -1.98 0.45 0.00 0.04 0.00 0.00 34.50 32.95 1jfg s PRO 347 CO 0.50 -1.00 1.72 0.28 0.04 0.00 0.00 177.00 178.55 1jfg h VAL 348 N 0.98 0.64 -0.67 -0.36 2.07 -1.96 -1.09 116.25 115.86 1jfg h VAL 348 Ca -0.50 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1jfg h VAL 348 Cb 1.27 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1jfg h VAL 348 CO 0.56 0.08 0.44 0.00 0.02 0.00 0.00 177.57 178.67 1jfg h ALA 349 N 1.55 1.61 -0.02 1.67 0.00 -1.92 0.30 119.26 122.45 1jfg h ALA 349 Ca 0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1jfg h ALA 349 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jfg h ALA 349 CO -0.41 0.32 -0.47 0.37 0.00 0.00 0.00 179.25 179.06 1jfg h GLN 350 N 0.82 0.04 0.00 0.00 4.15 -1.57 -1.90 115.11 116.66 1jfg h GLN 350 Ca 0.27 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.47 1jfg h GLN 350 Cb 0.05 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1jfg h GLN 350 CO -0.07 0.51 -0.90 -0.07 -1.93 0.00 0.00 178.83 176.36 1jfg h LEU 351 N 0.04 0.00 -0.49 -2.39 3.38 -0.96 -2.88 115.31 112.01 1jfg h LEU 351 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1jfg h LEU 351 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1jfg h LEU 351 CO 0.06 0.90 -0.42 0.00 0.09 0.00 0.00 178.44 179.08 1jfg h ALA 352 N 1.10 0.67 -0.02 1.53 0.00 -0.65 -3.18 119.26 118.71 1jfg h ALA 352 Ca -0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 54.91 54.22 1jfg h ALA 352 Cb 1.67 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1jfg h ALA 352 CO 0.12 0.67 -0.90 -0.97 0.00 0.00 0.00 179.25 178.17 1jfg h ASN 353 N 0.63 0.52 0.00 0.00 -0.00 -1.42 -3.48 115.58 111.83 1jfg h ASN 353 Ca 0.05 -0.40 0.00 0.00 -0.00 0.00 0.00 56.30 55.95 1jfg h ASN 353 Cb 0.98 -0.16 0.00 0.00 -0.00 0.00 0.00 38.32 39.15 1jfg h ASN 353 CO 0.09 1.19 0.00 0.52 -0.00 0.00 0.00 177.43 179.23