#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfa n GLU 2 N 0.00 3.28 -4.31 0.03 4.07 -1.26 -5.02 120.64 117.43 1jfa n GLU 2 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 1jfa n GLU 2 Cb 0.00 -0.47 -0.11 0.00 -0.06 0.00 0.00 31.44 30.80 1jfa n GLU 2 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1jfa s ASN 3 N -0.72 5.01 0.05 4.31 0.01 -1.26 -5.06 114.94 117.29 1jfa s ASN 3 Ca 0.00 -0.07 -0.31 0.00 -0.71 0.00 0.00 52.86 51.78 1jfa s ASN 3 Cb 0.00 -1.81 -0.07 0.00 0.41 0.00 0.00 41.25 39.78 1jfa s ASN 3 CO 0.00 0.18 1.54 0.12 -1.51 0.00 0.00 177.10 177.43 1jfa s PHE 4 N 0.29 2.68 -0.48 2.20 5.36 -1.26 -4.89 117.98 121.88 1jfa s PHE 4 Ca -0.02 0.57 -0.25 0.00 -0.96 0.00 0.00 56.93 56.27 1jfa s PHE 4 Cb -0.14 -3.83 -0.24 0.00 -0.34 0.00 0.00 43.02 38.47 1jfa s PHE 4 CO 0.02 -3.21 1.80 -2.30 -1.46 0.00 0.00 175.22 170.07 1jfa n PRO 5 N 5.29 0.94 -0.09 10.12 -0.02 -1.26 -4.72 135.00 145.26 1jfa n PRO 5 Ca 0.14 -1.52 -0.08 0.00 -2.02 0.00 0.00 63.50 60.03 1jfa n PRO 5 Cb 0.42 -2.75 -0.00 0.00 -0.02 0.00 0.00 33.50 31.14 1jfa n PRO 5 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1jfa h THR 6 N 4.65 0.99 0.74 3.45 2.02 -1.98 0.13 112.91 122.91 1jfa h THR 6 Ca 0.36 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 1jfa h THR 6 Cb 0.67 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1jfa h THR 6 CO 1.98 0.06 -0.47 -0.33 0.37 0.00 0.00 175.52 177.13 1jfa h GLU 7 N 0.32 -1.10 -0.66 6.66 5.08 -2.00 0.11 114.58 123.01 1jfa h GLU 7 Ca 0.13 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 58.70 1jfa h GLU 7 Cb 0.05 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 1jfa h GLU 7 CO -0.09 -0.73 0.11 -0.92 -1.00 0.00 0.00 179.01 176.38 1jfa h TYR 8 N -1.14 0.16 -0.35 4.33 -0.00 -1.94 -0.18 116.97 117.86 1jfa h TYR 8 Ca -0.10 0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 58.66 1jfa h TYR 8 Cb 0.91 0.03 -0.02 0.00 -0.00 0.00 0.00 36.73 37.66 1jfa h TYR 8 CO -0.10 -0.09 0.18 0.35 -0.00 0.00 0.00 178.16 178.50 1jfa h PHE 9 N 0.23 0.50 -0.20 -3.82 3.57 -0.49 -2.62 116.94 114.09 1jfa h PHE 9 Ca 0.35 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1jfa h PHE 9 Cb 0.57 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1jfa h PHE 9 CO -0.28 0.42 0.13 -0.07 -2.23 0.00 0.00 178.31 176.27 1jfa h LEU 10 N 0.43 0.23 0.18 0.59 3.38 0.22 -2.33 115.31 118.01 1jfa h LEU 10 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jfa h LEU 10 Cb 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1jfa h LEU 10 CO -0.02 0.17 -0.36 -1.13 0.09 0.00 0.00 178.44 177.19 1jfa h ASN 11 N 0.27 -1.04 -0.76 -0.43 -1.24 -0.93 -1.45 115.58 110.00 1jfa h ASN 11 Ca 0.07 0.10 0.13 0.00 0.71 0.00 0.00 56.30 57.32 1jfa h ASN 11 Cb -0.03 0.37 -0.09 0.00 0.73 0.00 0.00 38.32 39.30 1jfa h ASN 11 CO -0.02 -0.41 0.34 0.71 -1.29 0.00 0.00 177.43 176.76 1jfa h THR 12 N -0.58 0.72 -0.52 -3.57 1.35 -1.49 -0.01 112.91 108.81 1jfa h THR 12 Ca -0.02 -0.18 0.05 0.00 -0.55 0.00 0.00 66.41 65.71 1jfa h THR 12 Cb 0.55 0.15 -0.05 0.00 -1.73 0.00 0.00 68.15 67.08 1jfa h THR 12 CO -0.14 0.09 0.26 0.74 -0.25 0.00 0.00 175.52 176.22 1jfa h THR 13 N 0.52 0.94 -0.21 6.82 2.02 -1.15 0.84 112.91 122.69 1jfa h THR 13 Ca 0.41 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 1jfa h THR 13 Cb 0.57 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1jfa h THR 13 CO -0.36 0.09 0.03 0.58 0.37 0.00 0.00 175.52 176.23 1jfa h VAL 14 N 0.50 1.23 -0.64 3.16 2.07 -0.17 -0.78 116.25 121.61 1jfa h VAL 14 Ca 0.23 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1jfa h VAL 14 Cb 0.16 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1jfa h VAL 14 CO -0.17 0.23 0.37 0.03 0.02 0.00 0.00 177.57 178.05 1jfa h ARG 15 N 0.15 0.69 0.26 1.57 3.08 -0.42 0.16 114.38 119.87 1jfa h ARG 15 Ca 0.06 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1jfa h ARG 15 Cb 0.32 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1jfa h ARG 15 CO 0.00 0.46 -0.34 1.25 -1.07 0.00 0.00 179.97 180.28 1jfa h LEU 16 N 0.71 -0.93 -1.86 3.04 5.85 0.10 0.23 115.31 122.46 1jfa h LEU 16 Ca 0.27 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1jfa h LEU 16 Cb 0.11 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1jfa h LEU 16 CO -0.14 -0.46 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.43 1jfa h LEU 17 N -0.65 0.07 0.09 2.25 3.38 -0.69 -1.99 115.31 117.78 1jfa h LEU 17 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jfa h LEU 17 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jfa h LEU 17 CO -0.11 0.09 -0.04 -0.33 0.09 0.00 0.00 178.44 178.14 1jfa h GLU 18 N 0.08 -0.12 -0.93 1.13 5.08 -0.36 0.36 114.58 119.83 1jfa h GLU 18 Ca 0.02 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.61 1jfa h GLU 18 Cb 0.06 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.27 1jfa h GLU 18 CO 0.00 0.42 0.62 1.88 -1.00 0.00 0.00 179.01 180.92 1jfa h TYR 19 N -0.80 0.48 -0.01 4.33 -1.99 -0.23 0.33 116.97 119.08 1jfa h TYR 19 Ca -0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1jfa h TYR 19 Cb 0.59 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1jfa h TYR 19 CO 0.12 0.11 -0.16 0.44 -0.00 0.00 0.00 178.16 178.67 1jfa n ILE 20 N -4.49 0.00 -2.91 -2.88 -5.35 -0.78 -4.69 119.36 98.26 1jfa n ILE 20 Ca 0.20 -0.18 -0.11 0.00 -0.27 0.00 0.00 62.75 62.39 1jfa n ILE 20 Cb 0.77 0.48 0.04 0.00 -1.74 0.00 0.00 39.64 39.19 1jfa n ILE 20 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1jfa n ARG 21 N -0.28 -3.82 -1.68 6.28 1.74 0.12 -4.93 116.66 114.08 1jfa n ARG 21 Ca 0.15 0.44 -0.46 0.00 -0.77 0.00 0.00 57.85 57.21 1jfa n ARG 21 Cb 0.36 -4.27 -0.04 0.00 -1.02 0.00 0.00 32.46 27.49 1jfa n ARG 21 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1jfa n TYR 22 N -3.21 2.41 -3.63 -1.55 9.36 0.12 -4.94 117.16 115.73 1jfa n TYR 22 Ca -0.08 -0.01 -0.08 0.00 3.32 0.00 0.00 57.90 61.05 1jfa n TYR 22 Cb 0.56 -2.66 -0.02 0.00 -0.63 0.00 0.00 39.34 36.59 1jfa n TYR 22 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1jfa s ARG 23 N 2.96 1.36 0.79 2.98 1.70 -1.26 -4.94 118.95 122.53 1jfa s ARG 23 Ca 0.86 -0.64 -0.13 0.00 -0.47 0.00 0.00 55.73 55.35 1jfa s ARG 23 Cb -0.61 0.53 0.07 0.00 -0.57 0.00 0.00 34.95 34.38 1jfa s ARG 23 CO 0.44 -0.61 1.16 -0.51 -1.08 0.00 0.00 175.30 174.70 1jfa s ASP 24 N -2.79 3.92 0.38 -2.89 1.11 -1.26 -5.06 116.67 110.07 1jfa s ASP 24 Ca 0.07 2.19 0.04 0.00 0.18 0.00 0.00 52.55 55.03 1jfa s ASP 24 Cb -0.03 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1jfa s ASP 24 CO -0.03 -2.44 0.16 -0.94 1.18 0.00 0.00 175.17 173.10 1jfa s SER 25 N -2.48 2.39 0.00 0.27 1.04 -1.26 -5.03 113.70 108.63 1jfa s SER 25 Ca 0.69 -1.67 0.15 0.00 0.48 0.00 0.00 55.95 55.61 1jfa s SER 25 Cb -0.25 0.49 0.73 0.00 0.10 0.00 0.00 66.02 67.09 1jfa s SER 25 CO 0.50 -0.94 1.50 0.59 0.98 0.00 0.00 173.24 175.87 1jfa n ASN 26 N -1.28 0.74 -4.54 7.02 3.02 -1.26 -4.71 115.26 114.26 1jfa n ASN 26 Ca -0.02 -1.67 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 1jfa n ASN 26 Cb 0.64 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 1jfa n ASN 26 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1jfa s TYR 27 N -1.88 2.64 0.58 3.10 5.04 -1.26 -5.02 117.35 120.55 1jfa s TYR 27 Ca 0.24 0.05 -0.08 0.00 -2.44 0.00 0.00 57.07 54.85 1jfa s TYR 27 Cb 0.12 -4.33 -0.02 0.00 0.35 0.00 0.00 41.96 38.09 1jfa s TYR 27 CO 0.19 -1.58 0.92 0.95 -1.34 0.00 0.00 175.55 174.69 1jfa s THR 28 N 4.57 4.27 0.29 4.34 -4.23 -1.26 -4.92 115.64 118.70 1jfa s THR 28 Ca 0.34 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1jfa s THR 28 Cb -0.11 -3.68 0.22 0.00 1.34 0.00 0.00 72.50 70.27 1jfa s THR 28 CO 0.19 -0.77 1.91 0.03 -0.54 0.00 0.00 174.62 175.44 1jfa h ARG 29 N -0.15 0.99 -0.94 3.99 3.08 -1.89 -0.51 114.38 118.93 1jfa h ARG 29 Ca -0.45 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.49 1jfa h ARG 29 Cb 1.22 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 1jfa h ARG 29 CO 0.62 0.74 0.61 0.93 -1.07 0.00 0.00 179.97 181.80 1jfa h GLU 30 N 0.99 1.25 -0.15 0.04 3.07 -1.96 0.48 114.58 118.30 1jfa h GLU 30 Ca 0.25 -0.09 -0.20 0.00 -0.50 0.00 0.00 59.36 58.83 1jfa h GLU 30 Cb 0.05 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 27.68 1jfa h GLU 30 CO -0.04 0.84 -0.70 0.93 -1.40 0.00 0.00 179.01 178.65 1jfa h GLU 31 N 1.28 0.64 -0.47 2.33 5.08 -1.73 -1.94 114.58 119.78 1jfa h GLU 31 Ca 0.34 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1jfa h GLU 31 Cb -0.13 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1jfa h GLU 31 CO -0.07 1.11 0.20 0.00 -1.00 0.00 0.00 179.01 179.24 1jfa h ARG 32 N 0.45 0.70 -0.52 2.33 3.08 -0.62 -1.01 114.38 118.79 1jfa h ARG 32 Ca -0.03 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1jfa h ARG 32 Cb 1.29 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1jfa h ARG 32 CO 0.13 0.63 0.12 0.82 -1.07 0.00 0.00 179.97 180.60 1jfa h ILE 33 N 0.62 1.22 -0.00 2.04 2.04 -0.86 0.39 117.51 122.96 1jfa h ILE 33 Ca 0.16 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1jfa h ILE 33 Cb 0.18 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1jfa h ILE 33 CO -0.01 0.30 0.00 -0.33 0.00 0.00 0.00 178.15 178.10 1jfa h GLU 34 N 0.77 0.00 -0.14 2.37 5.08 -0.92 -2.02 114.58 119.71 1jfa h GLU 34 Ca 0.17 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1jfa h GLU 34 Cb 0.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1jfa h GLU 34 CO -0.00 0.17 0.02 -0.91 -1.00 0.00 0.00 179.01 177.28 1jfa h ASN 35 N -0.16 0.23 -0.25 1.42 2.35 -0.88 -1.92 115.58 116.36 1jfa h ASN 35 Ca 0.00 -0.27 0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1jfa h ASN 35 Cb 0.16 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.40 1jfa h ASN 35 CO -0.00 0.44 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.89 1jfa h LEU 36 N 0.01 -0.81 -0.67 1.61 3.38 -0.21 0.20 115.31 118.83 1jfa h LEU 36 Ca 0.04 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1jfa h LEU 36 Cb 0.31 0.38 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1jfa h LEU 36 CO 0.00 -0.29 0.32 -0.74 0.09 0.00 0.00 178.44 177.83 1jfa h HIS 37 N -0.26 0.96 0.06 1.13 2.76 -1.36 0.20 115.15 118.64 1jfa h HIS 37 Ca 0.14 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1jfa h HIS 37 Cb 0.47 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1jfa h HIS 37 CO -0.41 0.72 -0.03 -0.92 -1.30 0.00 0.00 177.93 176.00 1jfa h TYR 38 N 0.92 -0.07 0.55 5.26 3.20 -0.67 0.25 116.97 126.41 1jfa h TYR 38 Ca 0.23 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1jfa h TYR 38 Cb 0.12 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1jfa h TYR 38 CO 0.00 0.06 -0.30 0.00 -1.64 0.00 0.00 178.16 176.29 1jfa h ALA 39 N 0.75 -0.79 -0.32 1.82 0.00 -0.52 -2.40 119.26 117.80 1jfa h ALA 39 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1jfa h ALA 39 Cb 0.16 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1jfa h ALA 39 CO 0.01 -0.95 -0.11 -0.92 0.00 0.00 0.00 179.25 177.28 1jfa h TYR 40 N -0.79 -0.25 -0.81 0.00 3.20 -0.90 -1.90 116.97 115.52 1jfa h TYR 40 Ca -0.07 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.91 1jfa h TYR 40 Cb 0.62 0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 1jfa h TYR 40 CO -0.06 -0.18 0.48 -0.97 -1.64 0.00 0.00 178.16 175.79 1jfa h ASN 41 N -0.05 0.72 -0.18 -2.11 -1.24 -0.39 0.30 115.58 112.63 1jfa h ASN 41 Ca 0.16 0.03 -0.15 0.00 0.71 0.00 0.00 56.30 57.05 1jfa h ASN 41 Cb 0.29 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1jfa h ASN 41 CO -0.35 0.44 -0.46 0.50 -1.29 0.00 0.00 177.43 176.27 1jfa h LYS 42 N 0.85 0.64 -0.33 6.67 3.64 -1.16 -2.73 116.57 124.15 1jfa h LYS 42 Ca 0.37 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1jfa h LYS 42 Cb 0.25 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1jfa h LYS 42 CO -0.20 1.06 0.16 0.00 -2.27 0.00 0.00 179.45 178.19 1jfa h ALA 43 N 0.58 0.43 -0.81 5.00 0.00 -0.92 -1.99 119.26 121.54 1jfa h ALA 43 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jfa h ALA 43 Cb 1.07 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1jfa h ALA 43 CO 0.10 -0.01 0.52 0.00 0.00 0.00 0.00 179.25 179.85 1jfa h ALA 44 N 1.01 1.07 -0.15 0.00 0.00 -0.45 0.11 119.26 120.85 1jfa h ALA 44 Ca 0.11 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jfa h ALA 44 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jfa h ALA 44 CO -0.01 0.33 -0.23 0.45 0.00 0.00 0.00 179.25 179.78 1jfa h HIS 45 N 1.00 0.29 0.22 0.00 -0.00 -1.30 -1.92 115.15 113.43 1jfa h HIS 45 Ca 0.33 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.64 1jfa h HIS 45 Cb 0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1jfa h HIS 45 CO -0.03 0.49 -0.10 1.25 -0.00 0.00 0.00 177.93 179.53 1jfa h HIS 46 N 0.24 -0.27 0.00 2.45 6.17 -0.32 -3.07 115.15 120.35 1jfa h HIS 46 Ca 0.04 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1jfa h HIS 46 Cb 0.55 0.09 0.00 0.00 2.52 0.00 0.00 27.41 30.57 1jfa h HIS 46 CO 0.01 0.09 0.00 1.19 0.71 0.00 0.00 177.93 179.93 1jfa n PHE 47 N -5.05 0.28 1.09 5.26 3.72 -0.14 -2.30 117.46 120.32 1jfa n PHE 47 Ca -0.09 0.11 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 1jfa n PHE 47 Cb 0.25 -0.68 0.34 0.00 -0.94 0.00 0.00 39.48 38.45 1jfa n PHE 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jfa n ALA 48 N -1.60 3.28 -1.77 4.37 0.00 -0.73 -4.09 120.51 119.98 1jfa n ALA 48 Ca 0.03 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.76 1jfa n ALA 48 Cb 0.18 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1jfa n ALA 48 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jfa s GLN 49 N -2.85 3.73 0.20 0.00 -0.21 -0.97 -4.17 119.66 115.39 1jfa s GLN 49 Ca 0.16 1.81 -0.11 0.00 0.02 0.00 0.00 55.36 57.24 1jfa s GLN 49 Cb 0.18 -2.41 0.25 0.00 1.00 0.00 0.00 33.01 32.03 1jfa s GLN 49 CO 0.63 -0.59 1.70 -1.00 -2.12 0.00 0.00 175.29 173.92 1jfa h PRO 50 N 2.04 0.22 -0.37 2.91 0.13 -1.90 0.30 132.00 135.33 1jfa h PRO 50 Ca -0.49 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1jfa h PRO 50 Cb 1.25 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1jfa h PRO 50 CO 0.60 0.15 0.16 -0.09 -0.23 0.00 0.00 178.00 178.59 1jfa h ARG 51 N 0.23 0.33 -0.71 0.86 2.43 -1.96 0.15 114.38 115.71 1jfa h ARG 51 Ca 0.29 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1jfa h ARG 51 Cb 0.42 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1jfa h ARG 51 CO -0.39 0.22 0.36 1.96 -1.51 0.00 0.00 179.97 180.61 1jfa h GLN 52 N 0.34 1.00 -0.26 0.20 1.08 -1.72 -1.40 115.11 114.35 1jfa h GLN 52 Ca 0.16 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1jfa h GLN 52 Cb 0.10 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 1jfa h GLN 52 CO -0.14 0.77 -0.08 1.96 -0.95 0.00 0.00 178.83 180.39 1jfa h GLN 53 N 0.98 0.41 0.01 1.46 1.08 -0.27 -2.05 115.11 116.72 1jfa h GLN 53 Ca 0.24 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1jfa h GLN 53 Cb 0.08 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1jfa h GLN 53 CO -0.03 0.50 -0.00 1.96 -0.95 0.00 0.00 178.83 180.30 1jfa h GLN 54 N 0.39 -0.01 0.00 1.46 4.20 -0.18 -3.37 115.11 117.60 1jfa h GLN 54 Ca 0.08 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1jfa h GLN 54 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1jfa h GLN 54 CO 0.02 0.75 -0.52 -0.07 -0.67 0.00 0.00 178.83 178.33 1jfa h LEU 55 N -0.78 0.00 -7.96 1.46 3.38 -1.31 -3.42 115.31 106.68 1jfa h LEU 55 Ca -0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 1jfa h LEU 55 Cb 0.76 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.31 1jfa h LEU 55 CO 0.00 0.28 0.61 -0.22 0.09 0.00 0.00 178.44 179.20 1jfa s LEU 56 N -6.15 5.46 -0.68 1.67 2.96 -0.77 -4.68 118.68 116.49 1jfa s LEU 56 Ca 0.03 -2.13 -0.26 0.00 -0.22 0.00 0.00 54.13 51.55 1jfa s LEU 56 Cb 0.07 -2.35 -0.00 0.00 0.50 0.00 0.00 46.19 44.41 1jfa s LEU 56 CO 0.74 -0.96 1.68 -0.54 -1.32 0.00 0.00 176.35 175.94 1jfa s LYS 57 N 2.12 2.82 -0.08 1.98 -0.14 -1.26 -4.87 119.74 120.32 1jfa s LYS 57 Ca 0.28 0.25 -0.12 0.00 -1.36 0.00 0.00 55.97 55.01 1jfa s LYS 57 Cb -0.08 -4.39 0.03 0.00 -1.68 0.00 0.00 37.83 31.71 1jfa s LYS 57 CO -0.08 -2.58 0.31 0.08 -0.76 0.00 0.00 175.35 172.32 1jfa s VAL 58 N 8.01 0.02 0.17 3.17 1.01 -1.26 -4.90 120.40 126.62 1jfa s VAL 58 Ca 0.57 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.04 1jfa s VAL 58 Cb -0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.67 1jfa s VAL 58 CO 0.17 -0.11 1.54 -0.62 0.00 0.00 0.00 175.10 176.07 1jfa s ASP 59 N -0.43 6.62 0.23 3.32 2.15 -1.26 -4.84 116.67 122.45 1jfa s ASP 59 Ca -0.05 2.59 -0.09 0.00 0.43 0.00 0.00 52.55 55.42 1jfa s ASP 59 Cb -0.04 -2.60 0.36 0.00 -0.30 0.00 0.00 42.92 40.35 1jfa s ASP 59 CO 0.02 -0.79 1.66 -0.65 -0.17 0.00 0.00 175.17 175.24 1jfa h PRO 60 N 6.66 0.15 -0.37 4.34 0.11 -1.99 0.11 132.00 141.00 1jfa h PRO 60 Ca -0.43 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1jfa h PRO 60 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1jfa h PRO 60 CO 0.90 0.10 0.13 0.87 -0.21 0.00 0.00 178.00 179.79 1jfa h LYS 61 N 0.15 0.53 -0.05 1.05 1.57 -1.99 0.50 116.57 118.33 1jfa h LYS 61 Ca 0.36 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.84 1jfa h LYS 61 Cb 0.60 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1jfa h LYS 61 CO -0.54 0.45 -0.89 0.00 -0.57 0.00 0.00 179.45 177.90 1jfa h ARG 62 N 0.52 0.58 -0.32 3.15 3.08 -1.46 -1.56 114.38 118.38 1jfa h ARG 62 Ca 0.13 -0.56 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 1jfa h ARG 62 Cb 0.13 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1jfa h ARG 62 CO -0.01 1.18 0.19 1.25 -1.07 0.00 0.00 179.97 181.51 1jfa h LEU 63 N 0.36 0.39 -0.43 3.04 5.85 -0.29 0.26 115.31 124.49 1jfa h LEU 63 Ca -0.08 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.62 1jfa h LEU 63 Cb 1.51 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 1jfa h LEU 63 CO 0.17 0.33 0.20 -0.61 -0.34 0.00 0.00 178.44 178.19 1jfa h GLN 64 N 0.41 0.39 -0.27 1.25 5.75 -0.88 -0.04 115.11 121.72 1jfa h GLN 64 Ca 0.12 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.45 1jfa h GLN 64 Cb 0.02 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1jfa h GLN 64 CO -0.02 0.26 -0.41 0.00 -2.65 0.00 0.00 178.83 176.01 1jfa h ALA 65 N 1.24 0.77 -0.40 3.38 0.00 -0.83 -2.52 119.26 120.91 1jfa h ALA 65 Ca 0.19 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1jfa h ALA 65 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jfa h ALA 65 CO -0.15 0.66 -0.18 0.77 0.00 0.00 0.00 179.25 180.36 1jfa h SER 66 N 0.53 0.84 -0.55 0.00 0.02 -0.12 -2.09 113.55 112.19 1jfa h SER 66 Ca 0.04 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1jfa h SER 66 Cb 0.94 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.22 1jfa h SER 66 CO 0.08 1.05 0.33 0.25 -1.14 0.00 0.00 176.83 177.41 1jfa h LEU 67 N 0.63 0.66 -0.97 5.07 5.85 -0.97 -1.13 115.31 124.45 1jfa h LEU 67 Ca 0.09 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1jfa h LEU 67 Cb 0.73 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1jfa h LEU 67 CO 0.05 0.52 0.03 1.56 -0.34 0.00 0.00 178.44 180.27 1jfa h GLN 68 N 0.74 0.78 -0.38 1.25 4.20 -1.36 0.05 115.11 120.40 1jfa h GLN 68 Ca 0.20 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1jfa h GLN 68 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1jfa h GLN 68 CO -0.04 0.77 -0.32 1.15 -0.67 0.00 0.00 178.83 179.72 1jfa h THR 69 N 0.74 1.28 -0.17 -0.54 2.02 -1.04 -2.81 112.91 112.38 1jfa h THR 69 Ca 0.15 -1.49 -0.06 0.00 0.77 0.00 0.00 66.41 65.78 1jfa h THR 69 Cb 0.40 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1jfa h THR 69 CO 0.01 0.50 -0.13 0.40 0.37 0.00 0.00 175.52 176.67 1jfa h ILE 70 N 0.69 1.33 -0.93 3.11 1.08 -0.97 -1.71 117.51 120.11 1jfa h ILE 70 Ca 0.07 -1.25 0.06 0.00 -0.39 0.00 0.00 64.86 63.35 1jfa h ILE 70 Cb 0.91 1.76 -0.06 0.00 -3.07 0.00 0.00 36.82 36.36 1jfa h ILE 70 CO 0.08 0.37 0.59 0.58 -0.69 0.00 0.00 178.15 179.08 1jfa h VAL 71 N 0.06 1.06 -0.35 1.67 2.07 -1.05 -0.31 116.25 119.41 1jfa h VAL 71 Ca 0.03 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1jfa h VAL 71 Cb 0.64 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1jfa h VAL 71 CO 0.03 0.19 0.10 1.23 0.02 0.00 0.00 177.57 179.15 1jfa h GLY 72 N 1.07 0.60 0.72 2.17 0.00 -1.40 -0.85 103.07 105.37 1jfa h GLY 72 Ca 0.40 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.41 1jfa h GLY 72 CO -0.17 0.34 0.17 1.98 0.00 0.00 0.00 176.54 178.86 1jfa h MET 73 N 0.42 0.34 0.10 4.80 -1.53 -0.38 -1.61 114.93 117.07 1jfa h MET 73 Ca 0.11 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.35 1jfa h MET 73 Cb 0.28 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.25 1jfa h MET 73 CO -0.00 0.23 -0.05 0.28 0.14 0.00 0.00 176.91 177.51 1jfa h VAL 74 N 0.35 1.09 -0.84 -5.77 2.07 -0.94 -1.64 116.25 110.57 1jfa h VAL 74 Ca 0.18 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1jfa h VAL 74 Cb 0.13 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1jfa h VAL 74 CO -0.16 0.20 0.55 0.58 0.02 0.00 0.00 177.57 178.76 1jfa h VAL 75 N -0.52 1.16 0.00 2.57 2.07 -1.12 0.24 116.25 120.64 1jfa h VAL 75 Ca -0.01 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1jfa h VAL 75 Cb 0.43 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1jfa h VAL 75 CO 0.02 0.20 -0.44 1.88 0.02 0.00 0.00 177.57 179.25 1jfa h TYR 76 N 1.07 0.00 0.00 1.57 -1.99 -1.31 -3.35 116.97 112.96 1jfa h TYR 76 Ca 0.32 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.78 1jfa h TYR 76 Cb -0.02 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.66 1jfa h TYR 76 CO -0.00 0.31 -2.04 0.43 -0.00 0.00 0.00 178.16 176.86 1jfa n SER 77 N -3.12 1.56 -2.51 3.88 7.64 -0.62 -3.89 113.62 116.56 1jfa n SER 77 Ca 0.02 -0.02 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1jfa n SER 77 Cb 0.67 0.62 0.05 0.00 -1.01 0.00 0.00 64.21 64.54 1jfa n SER 77 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1jfa n TRP 78 N -2.66 2.80 -0.38 1.43 8.01 0.80 -3.34 117.44 124.10 1jfa n TRP 78 Ca -0.26 -2.56 0.31 0.00 -1.31 0.00 0.00 57.50 53.68 1jfa n TRP 78 Cb 0.96 -1.30 0.61 0.00 -2.01 0.00 0.00 31.31 29.57 1jfa n TRP 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1jfa h ALA 79 N 2.40 2.63 -0.01 6.99 0.00 -1.75 -2.04 119.26 127.47 1jfa h ALA 79 Ca 0.54 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1jfa h ALA 79 Cb 0.53 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jfa h ALA 79 CO 1.38 -1.11 -0.17 1.63 0.00 0.00 0.00 179.25 180.97 1jfa n LYS 80 N -4.55 0.81 -3.03 0.00 4.76 -1.26 -4.93 118.16 109.95 1jfa n LYS 80 Ca 0.31 -0.39 -0.24 0.00 -2.87 0.00 0.00 58.31 55.12 1jfa n LYS 80 Cb 1.19 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 1jfa n LYS 80 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jfa s VAL 81 N -2.46 4.46 0.95 -0.18 -7.23 -0.77 -5.06 120.40 110.11 1jfa s VAL 81 Ca 0.27 -0.36 -0.10 0.00 -1.81 0.00 0.00 61.98 59.98 1jfa s VAL 81 Cb 0.20 -3.66 0.16 0.00 0.56 0.00 0.00 36.38 33.65 1jfa s VAL 81 CO 0.49 -0.49 1.13 -0.94 -0.31 0.00 0.00 175.10 174.98 1jfa s SER 82 N -4.15 2.64 0.16 4.85 1.04 -1.26 -4.75 113.70 112.22 1jfa s SER 82 Ca 0.46 2.13 -0.16 0.00 0.48 0.00 0.00 55.95 58.86 1jfa s SER 82 Cb -0.10 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.52 1jfa s SER 82 CO 0.39 -3.27 1.78 0.11 0.98 0.00 0.00 173.24 173.22 1jfa h LYS 83 N -1.99 0.39 -0.49 4.02 1.57 -1.98 -1.08 116.57 117.01 1jfa h LYS 83 Ca -0.45 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1jfa h LYS 83 Cb 1.28 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 1jfa h LYS 83 CO 0.42 0.26 0.21 0.93 -0.57 0.00 0.00 179.45 180.69 1jfa h GLU 84 N 0.40 0.40 -0.91 3.15 4.39 -1.98 -0.41 114.58 119.61 1jfa h GLU 84 Ca 0.16 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1jfa h GLU 84 Cb 0.06 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1jfa h GLU 84 CO -0.11 0.26 0.54 0.00 -1.16 0.00 0.00 179.01 178.55 1jfa h MET 86 N 1.26 1.13 0.68 0.00 2.86 -0.33 -0.87 114.93 119.66 1jfa h MET 86 Ca 0.33 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1jfa h MET 86 Cb -0.04 -0.21 0.01 0.00 0.06 0.00 0.00 31.60 31.41 1jfa h MET 86 CO -0.06 0.85 -0.33 0.00 1.06 0.00 0.00 176.91 178.43 1jfa h ALA 87 N 1.22 -0.92 -1.00 6.32 0.00 -0.26 -0.77 119.26 123.85 1jfa h ALA 87 Ca 0.28 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jfa h ALA 87 Cb 0.07 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1jfa h ALA 87 CO -0.04 -0.97 0.66 -0.44 0.00 0.00 0.00 179.25 178.46 1jfa h ASP 88 N -1.01 1.12 0.30 0.00 3.32 -0.94 -0.78 116.42 118.42 1jfa h ASP 88 Ca -0.09 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 1jfa h ASP 88 Cb 0.73 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1jfa h ASP 88 CO 0.15 0.79 -0.37 -0.07 -1.72 0.00 0.00 179.24 178.02 1jfa h LEU 89 N 1.31 0.11 -0.74 1.55 3.38 -1.12 -2.11 115.31 117.69 1jfa h LEU 89 Ca 0.38 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 1jfa h LEU 89 Cb -0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1jfa h LEU 89 CO -0.10 0.48 -0.18 0.28 0.09 0.00 0.00 178.44 179.02 1jfa h SER 90 N 0.09 0.78 -0.03 -0.43 0.02 0.27 -0.36 113.55 113.89 1jfa h SER 90 Ca 0.01 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1jfa h SER 90 Cb 0.71 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jfa h SER 90 CO 0.05 0.95 0.00 0.40 -1.14 0.00 0.00 176.83 177.10 1jfa h ILE 91 N 0.69 1.23 -0.03 3.27 2.04 -0.95 -1.85 117.51 121.91 1jfa h ILE 91 Ca 0.10 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1jfa h ILE 91 Cb 0.67 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1jfa h ILE 91 CO 0.05 0.19 -0.04 -0.74 0.00 0.00 0.00 178.15 177.60 1jfa h HIS 92 N -0.21 -0.10 0.00 1.37 2.76 -1.20 -1.40 115.15 116.37 1jfa h HIS 92 Ca 0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1jfa h HIS 92 Cb 0.30 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1jfa h HIS 92 CO 0.02 -0.07 0.00 0.66 -1.30 0.00 0.00 177.93 177.25 1jfa n TYR 93 N -5.15 0.78 0.12 5.26 4.01 -0.16 -1.93 117.16 120.09 1jfa n TYR 93 Ca -0.06 0.29 -0.21 0.00 -0.16 0.00 0.00 57.90 57.77 1jfa n TYR 93 Cb 0.09 -0.97 -0.15 0.00 -0.31 0.00 0.00 39.34 37.99 1jfa n TYR 93 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1jfa h THR 94 N 0.00 1.36 -0.19 -0.72 2.02 -0.68 -2.50 112.91 112.21 1jfa h THR 94 Ca 0.00 -2.85 0.02 0.00 0.77 0.00 0.00 66.41 64.34 1jfa h THR 94 Cb 0.42 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.80 1jfa h THR 94 CO 0.00 0.85 0.07 1.88 0.37 0.00 0.00 175.52 178.68 1jfa h TYR 95 N 0.11 0.12 -0.79 3.16 0.05 -0.59 -0.70 116.97 118.33 1jfa h TYR 95 Ca -0.21 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.57 1jfa h TYR 95 Cb 2.08 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 39.76 1jfa h TYR 95 CO 0.10 0.06 0.44 1.79 -1.05 0.00 0.00 178.16 179.50 1jfa h THR 96 N 0.16 1.24 -0.67 -2.88 1.35 -1.47 -2.22 112.91 108.41 1jfa h THR 96 Ca 0.08 -0.58 -0.06 0.00 -0.55 0.00 0.00 66.41 65.30 1jfa h THR 96 Cb 0.05 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.61 1jfa h THR 96 CO -0.08 0.26 0.17 0.25 -0.25 0.00 0.00 175.52 175.87 1jfa h LEU 97 N 1.10 0.99 -1.14 3.87 5.85 -1.03 -2.92 115.31 122.03 1jfa h LEU 97 Ca 0.28 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1jfa h LEU 97 Cb 0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1jfa h LEU 97 CO -0.05 0.95 -0.15 0.58 -0.34 0.00 0.00 178.44 179.43 1jfa h VAL 98 N 1.00 1.23 0.00 1.05 2.07 -0.69 -2.83 116.25 118.08 1jfa h VAL 98 Ca 0.21 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1jfa h VAL 98 Cb 0.34 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1jfa h VAL 98 CO -0.00 0.32 0.00 0.25 0.02 0.00 0.00 177.57 178.16 1jfa h LEU 99 N 0.39 0.00 0.00 2.57 5.85 -1.21 0.50 115.31 123.41 1jfa h LEU 99 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1jfa h LEU 99 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1jfa h LEU 99 CO 0.03 0.00 0.00 -0.67 -0.34 0.00 0.00 178.44 177.46 1jfa n ASP 100 N -2.92 0.00 -0.07 1.25 -0.08 -1.07 -2.41 116.55 111.26 1jfa n ASP 100 Ca -0.03 0.06 0.13 0.00 -1.51 0.00 0.00 54.79 53.44 1jfa n ASP 100 Cb 0.07 -0.34 0.33 0.00 2.34 0.00 0.00 41.12 43.53 1jfa n ASP 100 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1jfa n ASP 101 N -1.34 0.60 -4.75 1.67 9.92 0.17 -4.87 116.55 117.94 1jfa n ASP 101 Ca 0.11 -0.38 -0.38 0.00 -0.53 0.00 0.00 54.79 53.60 1jfa n ASP 101 Cb 0.23 0.15 -0.06 0.00 -0.64 0.00 0.00 41.12 40.80 1jfa n ASP 101 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1jfa s SER 102 N -2.84 6.83 -0.01 -2.24 0.15 -1.01 -4.93 113.70 109.65 1jfa s SER 102 Ca 0.16 0.99 0.17 0.00 0.70 0.00 0.00 55.95 57.97 1jfa s SER 102 Cb 0.18 -2.32 -0.24 0.00 -1.71 0.00 0.00 66.02 61.94 1jfa s SER 102 CO 0.63 0.07 0.51 1.17 1.20 0.00 0.00 173.24 176.82 1jfa n LYS 103 N 3.09 0.88 -1.68 5.44 4.81 -1.26 -4.99 118.16 124.45 1jfa n LYS 103 Ca -0.07 -0.10 -0.43 0.00 -0.87 0.00 0.00 58.31 56.83 1jfa n LYS 103 Cb 0.51 -1.36 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 1jfa n LYS 103 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jfa n ASP 104 N -1.83 3.93 -4.65 3.14 8.00 -1.26 -4.90 116.55 118.97 1jfa n ASP 104 Ca -0.01 0.97 -0.45 0.00 0.71 0.00 0.00 54.79 56.01 1jfa n ASP 104 Cb 0.38 -1.51 -0.04 0.00 -0.02 0.00 0.00 41.12 39.93 1jfa n ASP 104 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jfa n ASP 105 N 6.05 3.70 0.23 -2.24 2.03 -1.26 -4.85 116.55 120.20 1jfa n ASP 105 Ca 0.19 0.84 0.09 0.00 0.52 0.00 0.00 54.79 56.43 1jfa n ASP 105 Cb 0.36 -1.45 0.54 0.00 -0.72 0.00 0.00 41.12 39.85 1jfa n ASP 105 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1jfa h PRO 106 N 10.59 0.00 -0.68 -0.67 0.11 -1.95 -3.36 132.00 136.05 1jfa h PRO 106 Ca -0.48 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1jfa h PRO 106 Cb 1.26 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 1jfa h PRO 106 CO 0.95 0.22 -0.40 0.98 -0.21 0.00 0.00 178.00 179.55 1jfa n TYR 107 N -3.65 -0.30 0.24 0.65 4.19 -1.26 -0.80 117.16 116.24 1jfa n TYR 107 Ca -0.01 0.85 0.12 0.00 3.31 0.00 0.00 57.90 62.17 1jfa n TYR 107 Cb 0.35 -0.54 0.75 0.00 0.49 0.00 0.00 39.34 40.39 1jfa n TYR 107 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1jfa h PRO 108 N 0.00 0.00 -0.01 2.98 0.13 -2.00 -1.63 132.00 131.47 1jfa h PRO 108 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1jfa h PRO 108 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 1jfa h PRO 108 CO -0.64 0.00 -0.08 0.25 -0.23 0.00 0.00 178.00 177.30 1jfa n THR 109 N -4.23 0.00 0.59 1.56 -2.24 0.02 -3.83 114.28 106.14 1jfa n THR 109 Ca -0.01 -0.21 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 1jfa n THR 109 Cb 0.17 0.47 0.01 0.00 -2.10 0.00 0.00 70.33 68.88 1jfa n THR 109 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1jfa n MET 110 N -0.08 1.75 -0.35 -0.78 2.81 -0.63 -3.92 117.12 115.91 1jfa n MET 110 Ca 0.17 -0.79 0.07 0.00 -1.81 0.00 0.00 57.70 55.34 1jfa n MET 110 Cb 0.35 -1.19 0.24 0.00 -0.71 0.00 0.00 33.22 31.91 1jfa n MET 110 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1jfa h VAL 111 N 1.63 0.95 -0.25 2.03 2.07 -1.61 -2.41 116.25 118.65 1jfa h VAL 111 Ca 0.00 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1jfa h VAL 111 Cb 0.47 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1jfa h VAL 111 CO 0.00 0.18 -0.05 0.59 0.02 0.00 0.00 177.57 178.31 1jfa n ASN 112 N -4.59 3.02 -0.00 0.57 3.02 -1.26 -4.82 115.26 111.20 1jfa n ASN 112 Ca 0.18 -3.36 -0.12 0.00 -0.03 0.00 0.00 54.58 51.24 1jfa n ASN 112 Cb 0.33 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1jfa n ASN 112 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1jfa h TYR 113 N 1.19 -1.20 -0.40 3.10 3.20 -1.67 -1.77 116.97 119.42 1jfa h TYR 113 Ca 0.09 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1jfa h TYR 113 Cb 1.45 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 40.25 1jfa h TYR 113 CO 0.65 -0.47 0.17 0.35 -1.64 0.00 0.00 178.16 177.21 1jfa h PHE 114 N -0.49 0.60 -0.34 -3.82 3.57 -1.88 -1.63 116.94 112.96 1jfa h PHE 114 Ca 0.08 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1jfa h PHE 114 Cb 0.62 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1jfa h PHE 114 CO -0.49 0.53 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.66 1jfa h ASP 115 N 0.50 0.50 -0.07 0.41 3.32 -1.90 0.15 116.42 119.34 1jfa h ASP 115 Ca 0.13 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 1jfa h ASP 115 Cb 0.18 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1jfa h ASP 115 CO -0.01 0.59 -0.60 0.44 -1.72 0.00 0.00 179.24 177.93 1jfa h ASP 116 N 0.51 0.77 0.27 6.45 3.32 -1.19 -1.33 116.42 125.22 1jfa h ASP 116 Ca 0.11 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1jfa h ASP 116 Cb 0.36 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1jfa h ASP 116 CO 0.01 1.19 -0.13 0.25 -1.72 0.00 0.00 179.24 178.84 1jfa h LEU 117 N 0.51 -0.31 -1.31 1.55 5.85 -0.68 0.15 115.31 121.07 1jfa h LEU 117 Ca -0.00 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jfa h LEU 117 Cb 1.18 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1jfa h LEU 117 CO 0.12 -0.13 0.40 -0.61 -0.34 0.00 0.00 178.44 177.89 1jfa h GLN 118 N -0.48 0.87 0.00 1.25 5.75 -0.73 -2.52 115.11 119.25 1jfa h GLN 118 Ca -0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1jfa h GLN 118 Cb 0.36 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1jfa h GLN 118 CO 0.06 0.60 -0.21 0.00 -2.65 0.00 0.00 178.83 176.62 1jfa h ALA 119 N 1.56 0.86 0.00 3.38 0.00 -1.06 -3.48 119.26 120.53 1jfa h ALA 119 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jfa h ALA 119 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jfa h ALA 119 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 1jfa n GLY 120 N 1.28 0.45 3.89 0.00 0.00 0.36 -5.05 105.19 106.11 1jfa n GLY 120 Ca 0.04 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1jfa n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfa s ARG 121 N -2.81 3.68 0.31 1.61 0.52 -0.21 -5.03 118.95 117.02 1jfa s ARG 121 Ca 0.00 0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1jfa s ARG 121 Cb 0.00 -2.86 -0.11 0.00 0.52 0.00 0.00 34.95 32.49 1jfa s ARG 121 CO 0.00 0.47 1.57 -2.00 0.02 0.00 0.00 175.30 175.36 1jfa s GLU 122 N -2.47 4.12 0.46 3.54 2.12 -1.26 -4.47 118.70 120.73 1jfa s GLU 122 Ca 0.40 2.58 -0.24 0.00 0.36 0.00 0.00 54.97 58.06 1jfa s GLU 122 Cb -0.12 -3.01 -0.08 0.00 0.26 0.00 0.00 34.13 31.18 1jfa s GLU 122 CO 0.22 -0.61 1.34 -0.65 -0.54 0.00 0.00 175.26 175.02 1jfa s GLN 123 N -0.85 3.68 0.20 4.30 -1.52 -1.26 -4.94 119.66 119.27 1jfa s GLN 123 Ca 0.61 2.21 -0.05 0.00 -1.95 0.00 0.00 55.36 56.18 1jfa s GLN 123 Cb -0.47 -2.58 0.14 0.00 -0.22 0.00 0.00 33.01 29.87 1jfa s GLN 123 CO 0.51 -0.75 1.57 0.00 -0.25 0.00 0.00 175.29 176.37 1jfa h ALA 124 N 2.23 0.78 -2.20 6.09 0.00 -1.92 -3.41 119.26 120.83 1jfa h ALA 124 Ca -0.50 -0.43 -0.56 0.00 0.00 0.00 0.00 54.91 53.42 1jfa h ALA 124 Cb 1.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1jfa h ALA 124 CO 0.61 0.65 0.93 -1.58 0.00 0.00 0.00 179.25 179.86 1jfa s HIS 125 N -4.37 2.65 0.42 0.00 5.04 -1.25 -4.90 115.29 112.88 1jfa s HIS 125 Ca -0.09 0.80 0.12 0.00 -1.54 0.00 0.00 55.06 54.35 1jfa s HIS 125 Cb 0.12 -3.61 0.96 0.00 0.04 0.00 0.00 32.58 30.09 1jfa s HIS 125 CO 0.84 -2.26 1.98 -1.00 -2.34 0.00 0.00 174.74 171.96 1jfa h PRO 126 N 8.47 0.47 -0.43 2.88 0.13 -1.90 -2.11 132.00 139.52 1jfa h PRO 126 Ca -0.31 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1jfa h PRO 126 Cb 1.13 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1jfa h PRO 126 CO 0.96 0.31 0.24 2.35 -0.23 0.00 0.00 178.00 181.63 1jfa h TRP 127 N 0.49 0.58 -0.52 1.56 7.01 -1.90 -1.65 115.95 121.51 1jfa h TRP 127 Ca 0.28 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.21 1jfa h TRP 127 Cb 0.46 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1jfa h TRP 127 CO -0.00 0.43 0.08 -1.49 -2.79 0.00 0.00 178.44 174.67 1jfa h TRP 128 N 0.56 0.85 -0.49 2.65 -0.00 -1.77 0.15 115.95 117.90 1jfa h TRP 128 Ca 0.15 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 58.95 1jfa h TRP 128 Cb 0.04 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 28.93 1jfa h TRP 128 CO -0.03 0.74 0.32 0.00 -0.00 0.00 0.00 178.44 179.48 1jfa h ALA 129 N 1.31 0.63 0.12 1.49 0.00 -0.85 -0.39 119.26 121.56 1jfa h ALA 129 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jfa h ALA 129 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jfa h ALA 129 CO 0.01 0.06 -0.06 -0.07 0.00 0.00 0.00 179.25 179.20 1jfa h LEU 130 N 0.66 -0.13 -0.66 0.00 3.38 -1.02 -2.70 115.31 114.84 1jfa h LEU 130 Ca 0.18 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1jfa h LEU 130 Cb -0.07 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1jfa h LEU 130 CO -0.04 0.43 0.37 0.58 0.09 0.00 0.00 178.44 179.86 1jfa h VAL 131 N -0.76 0.98 0.00 1.22 2.07 -0.94 -0.35 116.25 118.46 1jfa h VAL 131 Ca -0.02 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 1jfa h VAL 131 Cb 0.55 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1jfa h VAL 131 CO 0.03 0.13 -0.59 0.78 0.02 0.00 0.00 177.57 177.93 1jfa h ASN 132 N 0.69 0.00 0.06 0.57 2.35 -1.17 0.14 115.58 118.22 1jfa h ASN 132 Ca 0.29 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.89 1jfa h ASN 132 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1jfa h ASN 132 CO -0.17 0.59 -0.54 -0.08 -1.65 0.00 0.00 177.43 175.57 1jfa h GLU 133 N 0.00 0.51 0.00 0.81 4.81 -1.06 -3.26 114.58 116.40 1jfa h GLU 133 Ca -0.01 -0.32 -0.20 0.00 -0.13 0.00 0.00 59.36 58.70 1jfa h GLU 133 Cb 1.08 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1jfa h GLU 133 CO 0.08 0.92 -1.22 1.25 -0.73 0.00 0.00 179.01 179.31 1jfa h HIS 134 N 0.40 0.00 -0.89 0.92 2.76 -0.85 -3.40 115.15 114.08 1jfa h HIS 134 Ca 0.01 0.00 0.27 0.00 -2.20 0.00 0.00 60.37 58.44 1jfa h HIS 134 Cb 1.08 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.87 1jfa h HIS 134 CO 0.04 0.78 0.09 0.34 -1.30 0.00 0.00 177.93 177.88 1jfa n PHE 135 N -3.11 0.65 -0.07 5.26 -0.00 0.48 -1.13 117.46 119.53 1jfa n PHE 135 Ca -0.07 1.07 0.25 0.00 -0.00 0.00 0.00 57.45 58.70 1jfa n PHE 135 Cb 0.90 -1.22 0.72 0.00 -0.00 0.00 0.00 39.48 39.88 1jfa n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1jfa h PRO 136 N 0.00 0.00 0.00 -7.13 0.11 -1.79 0.30 132.00 123.50 1jfa h PRO 136 Ca 0.58 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.65 1jfa h PRO 136 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1jfa h PRO 136 CO -0.81 0.00 -0.18 -0.91 -0.21 0.00 0.00 178.00 175.89 1jfa h ASN 137 N 0.00 0.00 0.05 -2.05 -0.26 -1.46 -1.22 115.58 110.64 1jfa h ASN 137 Ca 0.33 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.80 1jfa h ASN 137 Cb 1.40 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.64 1jfa h ASN 137 CO -0.00 0.18 -1.48 0.58 -1.06 0.00 0.00 177.43 175.65 1jfa h VAL 138 N 0.00 0.86 0.00 2.81 2.07 -0.61 -3.38 116.25 117.99 1jfa h VAL 138 Ca -0.00 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.23 1jfa h VAL 138 Cb 0.57 2.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1jfa h VAL 138 CO 0.02 0.54 -0.13 -0.07 0.02 0.00 0.00 177.57 177.95 1jfa h LEU 139 N -0.59 0.00 -2.41 2.57 3.38 -1.05 -2.69 115.31 114.51 1jfa h LEU 139 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1jfa h LEU 139 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 1jfa h LEU 139 CO -0.08 0.13 0.00 0.08 0.09 0.00 0.00 178.44 178.66 1jfa h ARG 140 N 0.00 0.00 -0.00 1.13 0.11 -1.41 -0.78 114.38 113.44 1jfa h ARG 140 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jfa h ARG 140 Cb 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1jfa h ARG 140 CO 0.02 0.00 -0.13 0.72 0.10 0.00 0.00 179.97 180.68 1jfa n HIS 141 N -2.93 0.00 -4.26 4.08 8.25 -1.02 -4.93 115.22 114.41 1jfa n HIS 141 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.30 1jfa n HIS 141 Cb 0.11 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 30.89 1jfa n HIS 141 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jfa s PHE 142 N -2.59 1.28 0.95 4.41 0.40 -0.30 -0.98 117.98 121.14 1jfa s PHE 142 Ca 0.25 -0.91 -0.14 0.00 -0.60 0.00 0.00 56.93 55.53 1jfa s PHE 142 Cb 0.20 -0.71 0.16 0.00 0.51 0.00 0.00 43.02 43.18 1jfa s PHE 142 CO 0.50 -0.08 1.18 0.20 0.70 0.00 0.00 175.22 177.72 1jfa s GLY 143 N -3.19 1.62 0.27 4.36 0.00 -1.26 -4.78 107.32 104.34 1jfa s GLY 143 Ca 0.22 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 44.18 1jfa s GLY 143 CO 0.03 -0.10 1.85 -0.56 0.00 0.00 0.00 173.10 174.32 1jfa h PRO 144 N -1.61 1.01 0.34 2.90 0.13 -1.99 -1.15 132.00 131.63 1jfa h PRO 144 Ca -0.48 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1jfa h PRO 144 Cb 1.31 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jfa h PRO 144 CO 0.54 0.67 -0.16 0.35 -0.23 0.00 0.00 178.00 179.17 1jfa h PHE 145 N 1.04 -0.42 -0.86 1.56 3.57 -1.98 -1.59 116.94 118.26 1jfa h PHE 145 Ca 0.45 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1jfa h PHE 145 Cb 0.32 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1jfa h PHE 145 CO -0.01 -0.11 0.57 0.00 -2.23 0.00 0.00 178.31 176.53 1jfa h SER 147 N 1.12 -0.08 -0.96 0.00 0.02 -1.11 -1.59 113.55 110.96 1jfa h SER 147 Ca 0.32 0.03 0.13 0.00 -0.84 0.00 0.00 61.79 61.43 1jfa h SER 147 Cb -0.07 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.43 1jfa h SER 147 CO -0.08 -0.03 0.58 0.25 -1.14 0.00 0.00 176.83 176.41 1jfa h LEU 148 N 0.00 0.81 -0.63 5.07 5.85 -0.79 0.45 115.31 126.07 1jfa h LEU 148 Ca 0.04 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1jfa h LEU 148 Cb 0.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1jfa h LEU 148 CO -0.09 0.40 0.29 0.78 -0.34 0.00 0.00 178.44 179.48 1jfa h ASN 149 N 0.87 0.84 -0.42 1.25 2.35 -0.88 -0.30 115.58 119.30 1jfa h ASN 149 Ca 0.50 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 1jfa h ASN 149 Cb 0.57 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1jfa h ASN 149 CO -0.30 0.76 0.15 -0.07 -1.65 0.00 0.00 177.43 176.32 1jfa h LEU 150 N 0.88 0.59 -0.55 1.61 4.07 -0.14 -1.39 115.31 120.37 1jfa h LEU 150 Ca 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1jfa h LEU 150 Cb 0.15 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1jfa h LEU 150 CO -0.02 0.61 0.29 0.40 -1.08 0.00 0.00 178.44 178.63 1jfa h ILE 151 N 0.53 1.19 -0.06 1.22 2.04 -0.72 -2.32 117.51 119.39 1jfa h ILE 151 Ca 0.14 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1jfa h ILE 151 Cb 0.22 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1jfa h ILE 151 CO -0.01 0.21 0.01 0.03 0.00 0.00 0.00 178.15 178.39 1jfa h ARG 152 N 0.75 0.10 -0.53 2.37 3.08 -0.92 -2.48 114.38 116.74 1jfa h ARG 152 Ca 0.19 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.24 1jfa h ARG 152 Cb 0.08 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1jfa h ARG 152 CO -0.03 0.34 0.35 1.03 -1.07 0.00 0.00 179.97 180.60 1jfa h SER 153 N -0.16 0.55 0.08 7.04 0.87 -1.22 0.21 113.55 120.93 1jfa h SER 153 Ca 0.02 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1jfa h SER 153 Cb 0.30 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1jfa h SER 153 CO 0.00 0.39 -0.72 0.74 -0.53 0.00 0.00 176.83 176.71 1jfa h THR 154 N 0.65 1.33 -0.47 2.23 2.02 -1.37 0.15 112.91 117.44 1jfa h THR 154 Ca 0.21 -2.03 -0.13 0.00 0.77 0.00 0.00 66.41 65.23 1jfa h THR 154 Cb 0.03 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1jfa h THR 154 CO -0.05 0.63 -0.20 0.25 0.37 0.00 0.00 175.52 176.51 1jfa h LEU 155 N 0.39 0.98 -0.33 2.58 5.85 -0.88 -1.59 115.31 122.32 1jfa h LEU 155 Ca -0.03 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1jfa h LEU 155 Cb 1.31 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1jfa h LEU 155 CO 0.13 1.15 0.14 0.44 -0.34 0.00 0.00 178.44 179.96 1jfa h ASP 156 N 0.83 0.45 -0.85 1.25 5.19 -0.35 -2.44 116.42 120.50 1jfa h ASP 156 Ca 0.11 -0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.45 1jfa h ASP 156 Cb 0.77 -0.12 -0.07 0.00 0.18 0.00 0.00 39.33 40.10 1jfa h ASP 156 CO 0.06 0.48 0.51 0.15 -3.12 0.00 0.00 179.24 177.32 1jfa h PHE 157 N 0.39 0.94 -0.40 4.55 3.57 -0.46 0.55 116.94 126.08 1jfa h PHE 157 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1jfa h PHE 157 Cb 0.16 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1jfa h PHE 157 CO -0.01 0.44 0.26 0.35 -2.23 0.00 0.00 178.31 177.12 1jfa h PHE 158 N 0.90 0.50 -0.32 0.41 3.57 -0.91 -0.73 116.94 120.37 1jfa h PHE 158 Ca 0.39 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 1jfa h PHE 158 Cb 0.26 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1jfa h PHE 158 CO -0.04 0.32 -0.02 1.49 -2.23 0.00 0.00 178.31 177.83 1jfa h GLU 159 N 0.54 0.49 -0.36 1.11 4.81 -0.87 -2.21 114.58 118.08 1jfa h GLU 159 Ca 0.15 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1jfa h GLU 159 Cb -0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1jfa h GLU 159 CO -0.03 0.53 0.24 0.78 -0.73 0.00 0.00 179.01 179.80 1jfa h GLY 160 N 0.82 0.51 1.18 1.92 0.00 0.23 -1.46 103.07 106.27 1jfa h GLY 160 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1jfa h GLY 160 CO 0.01 0.18 0.16 0.00 0.00 0.00 0.00 176.54 176.89 1jfa h TRP 162 N 0.97 -0.65 -0.99 0.00 2.91 -0.97 -1.85 115.95 115.37 1jfa h TRP 162 Ca 0.21 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.26 1jfa h TRP 162 Cb 0.35 0.27 -0.05 0.00 -0.51 0.00 0.00 29.16 29.21 1jfa h TRP 162 CO 0.02 -0.35 0.65 0.82 -1.03 0.00 0.00 178.44 178.56 1jfa h ILE 163 N -0.46 1.20 0.00 2.65 2.04 -0.96 -1.78 117.51 120.21 1jfa h ILE 163 Ca 0.02 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1jfa h ILE 163 Cb 0.47 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1jfa h ILE 163 CO -0.13 0.24 0.00 -0.33 0.00 0.00 0.00 178.15 177.93 1jfa h GLU 164 N 1.29 0.00 0.00 2.37 5.08 -0.34 -1.42 114.58 121.56 1jfa h GLU 164 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1jfa h GLU 164 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1jfa h GLU 164 CO -0.11 0.00 0.00 1.96 -1.00 0.00 0.00 179.01 179.86 1jfa h GLN 165 N 0.00 0.00 -0.00 2.33 4.20 -0.54 0.08 115.11 121.18 1jfa h GLN 165 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jfa h GLN 165 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1jfa h GLN 165 CO 0.00 0.00 -0.36 0.66 -0.67 0.00 0.00 178.83 178.46 1jfa n TYR 166 N -2.80 0.00 -3.77 2.96 4.02 -0.53 -4.95 117.16 112.07 1jfa n TYR 166 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 1jfa n TYR 166 Cb 0.19 -0.30 0.03 0.00 -0.02 0.00 0.00 39.34 39.24 1jfa n TYR 166 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jfa n ASN 167 N -1.43 -4.19 -4.18 7.72 2.85 0.02 -4.93 115.26 111.10 1jfa n ASN 167 Ca 0.07 -1.04 -0.33 0.00 -0.11 0.00 0.00 54.58 53.16 1jfa n ASN 167 Cb 0.33 -3.15 -0.16 0.00 1.24 0.00 0.00 39.78 38.05 1jfa n ASN 167 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1jfa s PHE 168 N -3.57 2.79 -2.27 1.20 5.36 -1.26 -4.99 117.98 115.24 1jfa s PHE 168 Ca 0.38 -1.38 0.20 0.00 -0.96 0.00 0.00 56.93 55.18 1jfa s PHE 168 Cb -0.15 -1.92 0.72 0.00 -0.34 0.00 0.00 43.02 41.33 1jfa s PHE 168 CO 0.88 -0.67 1.53 0.41 -1.46 0.00 0.00 175.22 175.90 1jfa n GLY 169 N 4.45 0.33 0.00 13.12 0.00 -1.26 -5.03 105.19 116.80 1jfa n GLY 169 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1jfa n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfa n GLY 170 N 1.13 1.72 3.77 -0.02 0.00 -1.26 -4.11 105.19 106.42 1jfa n GLY 170 Ca 0.16 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 1jfa n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfa s PHE 171 N -2.31 3.53 0.15 1.61 0.08 -1.26 -4.48 117.98 115.30 1jfa s PHE 171 Ca 0.00 1.71 -0.33 0.00 0.12 0.00 0.00 56.93 58.43 1jfa s PHE 171 Cb 0.00 -3.18 -0.12 0.00 -0.57 0.00 0.00 43.02 39.14 1jfa s PHE 171 CO 0.00 -0.42 1.70 -2.30 -0.10 0.00 0.00 175.22 174.10 1jfa n PRO 172 N 0.78 2.50 0.00 0.24 -0.02 -1.25 -0.70 135.00 136.55 1jfa n PRO 172 Ca 0.01 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1jfa n PRO 172 Cb 0.47 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1jfa n PRO 172 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jfa n GLY 173 N 3.84 2.33 2.93 -1.23 0.00 0.11 -5.00 105.19 108.17 1jfa n GLY 173 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1jfa n GLY 173 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfa n SER 174 N 0.00 4.68 0.16 1.61 2.88 0.12 -4.81 113.62 118.26 1jfa n SER 174 Ca 0.00 -2.99 0.16 0.00 -1.33 0.00 0.00 58.87 54.71 1jfa n SER 174 Cb 0.00 -1.57 0.75 0.00 -0.75 0.00 0.00 64.21 62.64 1jfa n SER 174 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1jfa h HIS 175 N 6.10 0.00 0.00 0.66 3.86 -1.85 -2.05 115.15 121.87 1jfa h HIS 175 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1jfa h HIS 175 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1jfa h HIS 175 CO 1.32 0.00 -0.11 -0.25 0.86 0.00 0.00 177.93 179.75 1jfa n ASP 176 N -4.14 0.70 0.31 2.45 8.00 -1.26 -4.30 116.55 118.32 1jfa n ASP 176 Ca 0.03 0.48 -0.17 0.00 0.71 0.00 0.00 54.79 55.84 1jfa n ASP 176 Cb 0.35 -0.59 -0.09 0.00 -0.02 0.00 0.00 41.12 40.77 1jfa n ASP 176 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1jfa h TYR 177 N 0.00 -0.71 -0.74 1.24 3.20 -1.78 -2.90 116.97 115.28 1jfa h TYR 177 Ca 0.00 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.92 1jfa h TYR 177 Cb 0.71 0.23 -0.10 0.00 1.54 0.00 0.00 36.73 39.11 1jfa h TYR 177 CO 0.00 -0.42 -0.53 -1.35 -1.64 0.00 0.00 178.16 174.22 1jfa h PRO 178 N -0.80 -0.11 0.00 1.82 0.11 -1.77 0.21 132.00 131.46 1jfa h PRO 178 Ca -0.08 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1jfa h PRO 178 Cb 0.60 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1jfa h PRO 178 CO 0.13 -0.07 -0.27 1.96 -0.21 0.00 0.00 178.00 179.53 1jfa h GLN 179 N -0.12 0.00 -0.27 1.05 4.20 -1.84 -0.55 115.11 117.59 1jfa h GLN 179 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1jfa h GLN 179 Cb 0.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1jfa h GLN 179 CO -0.76 0.27 0.11 0.35 -0.67 0.00 0.00 178.83 178.14 1jfa h PHE 180 N 0.00 0.40 -0.27 2.96 3.57 -1.00 -0.97 116.94 121.63 1jfa h PHE 180 Ca -0.00 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 1jfa h PHE 180 Cb 0.80 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1jfa h PHE 180 CO 0.00 0.40 -0.37 1.25 -2.23 0.00 0.00 178.31 177.36 1jfa h LEU 181 N 0.29 0.80 -0.97 0.59 5.85 -0.66 -1.88 115.31 119.33 1jfa h LEU 181 Ca 0.09 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1jfa h LEU 181 Cb 0.16 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1jfa h LEU 181 CO -0.01 1.15 0.50 -0.09 -0.34 0.00 0.00 178.44 179.65 1jfa h ARG 182 N 0.48 1.22 -0.04 1.25 9.65 -1.00 -1.38 114.38 124.56 1jfa h ARG 182 Ca 0.03 -0.13 -0.17 0.00 -1.10 0.00 0.00 59.98 58.61 1jfa h ARG 182 Cb 0.96 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.29 1jfa h ARG 182 CO 0.09 0.88 -0.74 0.00 2.80 0.00 0.00 179.97 183.00 1jfa h ARG 183 N 1.23 0.23 -0.60 0.20 3.08 -1.18 -1.09 114.38 116.24 1jfa h ARG 183 Ca 0.31 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.20 1jfa h ARG 183 Cb 0.00 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1jfa h ARG 183 CO -0.05 0.87 0.35 1.98 -1.07 0.00 0.00 179.97 182.04 1jfa h MET 184 N 0.15 0.66 -0.52 0.04 4.05 -0.43 -3.03 114.93 115.85 1jfa h MET 184 Ca -0.03 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1jfa h MET 184 Cb 1.30 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1jfa h MET 184 CO 0.11 0.43 0.00 0.27 0.23 0.00 0.00 176.91 177.96 1jfa n ASN 185 N -4.78 3.56 0.19 1.39 0.23 -0.67 -2.61 115.26 112.56 1jfa n ASN 185 Ca 0.06 -2.10 0.09 0.00 -0.53 0.00 0.00 54.58 52.10 1jfa n ASN 185 Cb 0.12 -0.38 0.12 0.00 -2.08 0.00 0.00 39.78 37.55 1jfa n ASN 185 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1jfa h GLY 186 N 3.08 0.00 -1.29 4.83 0.00 -1.06 -3.48 103.07 105.16 1jfa h GLY 186 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 1jfa h GLY 186 CO 0.04 0.00 -0.36 1.04 0.00 0.00 0.00 176.54 177.25 1jfa n LEU 187 N -3.10 -1.43 -0.22 3.11 4.77 -1.26 -4.89 117.00 113.98 1jfa n LEU 187 Ca 0.03 0.32 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 1jfa n LEU 187 Cb 0.59 -2.54 0.13 0.00 -2.33 0.00 0.00 43.42 39.27 1jfa n LEU 187 CO 0.36 -0.74 0.96 1.23 -1.33 0.00 0.00 177.39 177.87 1jfa h GLY 188 N 0.00 0.91 2.00 -0.72 0.00 -1.86 0.92 103.07 104.31 1jfa h GLY 188 Ca -0.38 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1jfa h GLY 188 CO 0.53 -0.09 0.00 0.45 0.00 0.00 0.00 176.54 177.43 1jfa h HIS 189 N 0.35 0.00 0.08 5.60 3.86 -1.88 -0.30 115.15 122.85 1jfa h HIS 189 Ca 0.35 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1jfa h HIS 189 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1jfa h HIS 189 CO -0.21 0.00 -0.04 0.00 0.86 0.00 0.00 177.93 178.55 1jfa h VAL 191 N -0.72 0.15 -0.97 0.00 2.07 -0.90 -1.00 116.25 114.88 1jfa h VAL 191 Ca -0.01 -0.02 0.24 0.00 0.82 0.00 0.00 66.70 67.72 1jfa h VAL 191 Cb 0.57 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 1jfa h VAL 191 CO 0.02 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.37 1jfa h GLY 192 N -1.17 1.80 1.53 2.17 0.00 -1.14 -1.84 103.07 104.41 1jfa h GLY 192 Ca -0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 47.33 46.70 1jfa h GLY 192 CO 0.19 -0.25 -1.33 0.00 0.00 0.00 0.00 176.54 175.15 1jfa h ALA 193 N 1.73 0.53 0.00 3.60 0.00 -1.34 -3.31 119.26 120.47 1jfa h ALA 193 Ca 0.62 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1jfa h ALA 193 Cb 1.18 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jfa h ALA 193 CO -0.49 1.39 0.00 -1.13 0.00 0.00 0.00 179.25 179.02 1jfa n SER 194 N -3.22 0.00 0.00 0.00 3.41 -0.39 -2.57 113.62 110.85 1jfa n SER 194 Ca -0.08 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 1jfa n SER 194 Cb 0.99 -0.29 0.66 0.00 -0.26 0.00 0.00 64.21 65.31 1jfa n SER 194 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jfa n LEU 195 N -1.29 0.00 -3.28 1.04 4.77 -1.13 -4.42 117.00 112.68 1jfa n LEU 195 Ca 0.08 0.26 -0.26 0.00 -0.03 0.00 0.00 56.01 56.06 1jfa n LEU 195 Cb 0.13 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 1jfa n LEU 195 CO 0.12 -0.04 0.02 0.79 -1.33 0.00 0.00 177.39 176.96 1jfa n TRP 196 N -1.26 2.99 -1.67 -1.77 7.02 -1.06 -5.00 117.44 116.68 1jfa n TRP 196 Ca 0.13 -4.03 -0.44 0.00 -1.02 0.00 0.00 57.50 52.14 1jfa n TRP 196 Cb 0.20 -0.51 -0.02 0.00 -2.42 0.00 0.00 31.31 28.56 1jfa n TRP 196 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 1jfa n PRO 197 N 0.69 2.00 0.26 -0.99 -0.02 -1.26 -4.69 135.00 130.99 1jfa n PRO 197 Ca 0.29 0.71 0.18 0.00 -2.02 0.00 0.00 63.50 62.65 1jfa n PRO 197 Cb 0.44 -2.32 0.89 0.00 -0.02 0.00 0.00 33.50 32.48 1jfa n PRO 197 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1jfa h LYS 198 N 3.60 0.00 0.00 -0.52 2.10 -1.22 0.71 116.57 121.24 1jfa h LYS 198 Ca -0.45 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.12 1jfa h LYS 198 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 1jfa h LYS 198 CO 0.71 0.00 -0.40 1.49 -2.00 0.00 0.00 179.45 179.25 1jfa h GLU 199 N 0.00 0.00 0.00 0.07 4.81 -1.88 -3.31 114.58 114.27 1jfa h GLU 199 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1jfa h GLU 199 Cb 0.12 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1jfa h GLU 199 CO 0.00 0.40 -1.68 1.04 -0.73 0.00 0.00 179.01 178.04 1jfa n GLN 200 N -3.58 1.32 -4.15 1.92 1.13 -0.20 -5.04 117.38 108.78 1jfa n GLN 200 Ca -0.00 -0.06 -0.16 0.00 -1.94 0.00 0.00 57.00 54.84 1jfa n GLN 200 Cb 0.52 -1.29 -0.11 0.00 0.11 0.00 0.00 30.24 29.46 1jfa n GLN 200 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1jfa s PHE 201 N -2.54 1.04 -0.44 1.08 0.40 0.07 -5.02 117.98 112.55 1jfa s PHE 201 Ca -0.05 -0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 1jfa s PHE 201 Cb 0.05 -0.58 0.06 0.00 0.51 0.00 0.00 43.02 43.06 1jfa s PHE 201 CO 0.49 0.01 0.35 1.21 0.70 0.00 0.00 175.22 177.97 1jfa s ASN 202 N -1.95 6.06 0.36 1.36 3.84 -1.26 -4.18 114.94 119.16 1jfa s ASN 202 Ca -0.01 -1.21 0.14 0.00 0.21 0.00 0.00 52.86 51.99 1jfa s ASN 202 Cb -0.07 -2.15 1.00 0.00 -0.55 0.00 0.00 41.25 39.48 1jfa s ASN 202 CO 0.01 -0.57 1.75 -0.08 -2.79 0.00 0.00 177.10 175.42 1jfa h GLU 203 N 8.67 0.47 0.21 0.43 4.81 -1.92 0.85 114.58 128.10 1jfa h GLU 203 Ca -0.27 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 58.63 1jfa h GLU 203 Cb 1.11 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 30.41 1jfa h GLU 203 CO 0.81 0.31 -1.34 0.00 -0.73 0.00 0.00 179.01 178.07 1jfa h ARG 204 N 0.48 0.45 -0.25 1.92 3.08 -1.97 -1.62 114.38 116.47 1jfa h ARG 204 Ca 0.62 -0.77 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 1jfa h ARG 204 Cb 1.38 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 1jfa h ARG 204 CO -0.38 1.37 -0.31 0.77 -1.07 0.00 0.00 179.97 180.35 1jfa h SER 205 N -0.02 0.52 -0.32 7.04 0.02 -1.79 -3.13 113.55 115.88 1jfa h SER 205 Ca -0.24 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1jfa h SER 205 Cb 2.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.39 1jfa h SER 205 CO 0.22 0.81 0.01 0.18 -1.14 0.00 0.00 176.83 176.91 1jfa n LEU 206 N -4.08 4.18 -0.27 5.07 4.77 0.22 -4.74 117.00 122.15 1jfa n LEU 206 Ca -0.01 -3.10 0.07 0.00 -0.03 0.00 0.00 56.01 52.95 1jfa n LEU 206 Cb 0.45 -0.58 0.19 0.00 -2.33 0.00 0.00 43.42 41.15 1jfa n LEU 206 CO 0.43 0.73 0.87 0.15 -1.33 0.00 0.00 177.39 178.24 1jfa h PHE 207 N 1.94 0.10 -0.59 -1.77 3.57 -1.23 0.35 116.94 119.31 1jfa h PHE 207 Ca 0.04 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 1jfa h PHE 207 Cb 1.56 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 1jfa h PHE 207 CO 0.64 -0.21 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.41 1jfa h LEU 208 N 0.15 1.05 -0.36 0.59 3.38 -1.86 -1.09 115.31 117.17 1jfa h LEU 208 Ca 0.45 -0.32 -0.19 0.00 0.09 0.00 0.00 57.88 57.91 1jfa h LEU 208 Cb 0.82 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jfa h LEU 208 CO -0.64 1.12 -0.69 1.05 0.09 0.00 0.00 178.44 179.36 1jfa h GLU 209 N 0.96 0.56 0.14 1.13 9.09 -1.60 -2.18 114.58 122.69 1jfa h GLU 209 Ca 0.16 -0.43 -0.01 0.00 0.05 0.00 0.00 59.36 59.14 1jfa h GLU 209 Cb 0.60 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 1jfa h GLU 209 CO 0.04 1.05 -0.07 0.82 0.05 0.00 0.00 179.01 180.90 1jfa h ILE 210 N 0.40 0.98 -0.75 -1.06 2.04 -0.91 0.13 117.51 118.34 1jfa h ILE 210 Ca -0.03 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.35 1jfa h ILE 210 Cb 1.28 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 38.62 1jfa h ILE 210 CO 0.13 0.13 0.41 0.74 0.00 0.00 0.00 178.15 179.56 1jfa h THR 211 N -0.46 0.92 -0.64 -0.27 2.02 -1.25 0.14 112.91 113.36 1jfa h THR 211 Ca -0.02 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1jfa h THR 211 Cb 0.37 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1jfa h THR 211 CO 0.03 0.13 0.17 0.28 0.37 0.00 0.00 175.52 176.50 1jfa h SER 212 N 0.72 0.96 -0.78 4.18 0.02 -1.25 -1.23 113.55 116.16 1jfa h SER 212 Ca 0.35 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1jfa h SER 212 Cb 0.29 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 1jfa h SER 212 CO -0.23 0.93 0.41 0.00 -1.14 0.00 0.00 176.83 176.81 1jfa h ALA 213 N 1.06 1.01 -0.08 3.77 0.00 0.56 -0.32 119.26 125.26 1jfa h ALA 213 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jfa h ALA 213 Cb 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jfa h ALA 213 CO -0.00 0.53 0.04 0.82 0.00 0.00 0.00 179.25 180.64 1jfa h ILE 214 N 1.09 1.11 -0.73 0.00 2.04 -0.43 0.70 117.51 121.29 1jfa h ILE 214 Ca 0.27 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1jfa h ILE 214 Cb 0.06 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1jfa h ILE 214 CO -0.04 0.10 0.48 0.00 0.00 0.00 0.00 178.15 178.68 1jfa h ALA 215 N 0.91 0.94 0.19 1.87 0.00 -0.91 -1.75 119.26 120.51 1jfa h ALA 215 Ca 0.03 -0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 1jfa h ALA 215 Cb 0.12 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.65 1jfa h ALA 215 CO -0.00 0.31 -1.50 1.96 0.00 0.00 0.00 179.25 180.01 1jfa h GLN 216 N 0.95 0.41 0.00 0.00 4.20 -0.93 -3.33 115.11 116.41 1jfa h GLN 216 Ca 0.28 -0.69 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 1jfa h GLN 216 Cb -0.06 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1jfa h GLN 216 CO -0.08 1.33 -0.16 1.98 -0.67 0.00 0.00 178.83 181.24 1jfa h MET 217 N -0.01 0.00 0.03 1.46 4.05 0.42 -2.76 114.93 118.12 1jfa h MET 217 Ca -0.29 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.16 1jfa h MET 217 Cb 2.01 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.77 1jfa h MET 217 CO 0.19 0.16 -0.22 1.49 0.23 0.00 0.00 176.91 178.76 1jfa h GLU 218 N 0.00 -0.35 -0.08 0.39 4.81 -1.42 -0.34 114.58 117.59 1jfa h GLU 218 Ca -0.00 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.06 1jfa h GLU 218 Cb 0.37 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1jfa h GLU 218 CO 0.02 -0.23 -0.76 -0.91 -0.73 0.00 0.00 179.01 176.39 1jfa h ASN 219 N -0.36 0.55 0.20 1.04 2.35 -1.70 -2.86 115.58 114.80 1jfa h ASN 219 Ca 0.05 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1jfa h ASN 219 Cb 0.43 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1jfa h ASN 219 CO -0.18 1.13 -0.10 -0.25 -1.65 0.00 0.00 177.43 176.38 1jfa h TRP 220 N 0.31 -0.25 -0.19 1.19 7.01 -1.34 -0.78 115.95 121.90 1jfa h TRP 220 Ca -0.04 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.00 1jfa h TRP 220 Cb 1.35 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 28.45 1jfa h TRP 220 CO 0.05 -0.02 -0.11 1.98 -2.79 0.00 0.00 178.44 177.55 1jfa h MET 221 N -0.44 -0.10 -0.30 2.65 4.05 -1.13 0.11 114.93 119.77 1jfa h MET 221 Ca -0.03 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1jfa h MET 221 Cb 0.34 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1jfa h MET 221 CO 0.04 -0.06 -0.18 -0.39 0.23 0.00 0.00 176.91 176.55 1jfa h VAL 222 N -0.10 1.30 -0.70 -5.77 -1.51 -1.49 -2.21 116.25 105.76 1jfa h VAL 222 Ca 0.11 -1.30 -0.05 0.00 -1.23 0.00 0.00 66.70 64.23 1jfa h VAL 222 Cb 0.26 1.48 -0.03 0.00 -2.13 0.00 0.00 31.29 30.87 1jfa h VAL 222 CO -0.25 0.42 0.24 -0.50 -1.23 0.00 0.00 177.57 176.25 1jfa h TRP 223 N 0.41 1.11 -0.67 5.19 6.55 -0.97 0.02 115.95 127.59 1jfa h TRP 223 Ca 0.06 -0.10 -0.04 0.00 0.95 0.00 0.00 58.89 59.76 1jfa h TRP 223 Cb 0.71 -0.33 -0.03 0.00 -0.86 0.00 0.00 29.16 28.66 1jfa h TRP 223 CO 0.06 0.88 0.26 0.28 -1.05 0.00 0.00 178.44 178.87 1jfa h VAL 224 N 1.02 1.24 -0.51 1.49 2.07 -0.76 -0.54 116.25 120.26 1jfa h VAL 224 Ca 0.23 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1jfa h VAL 224 Cb 0.27 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1jfa h VAL 224 CO -0.01 0.30 -0.13 -1.13 0.02 0.00 0.00 177.57 176.62 1jfa h ASN 225 N 0.98 0.98 -0.63 0.57 -0.73 -0.84 -1.31 115.58 114.59 1jfa h ASN 225 Ca 0.23 -0.33 -0.03 0.00 1.87 0.00 0.00 56.30 58.04 1jfa h ASN 225 Cb 0.20 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1jfa h ASN 225 CO -0.02 1.10 0.27 0.44 -0.37 0.00 0.00 177.43 178.85 1jfa h ASP 226 N 0.86 0.85 -0.12 1.15 3.32 -0.41 -1.31 116.42 120.76 1jfa h ASP 226 Ca 0.13 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1jfa h ASP 226 Cb 0.68 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1jfa h ASP 226 CO 0.05 0.77 -0.01 0.25 -1.72 0.00 0.00 179.24 178.58 1jfa h LEU 227 N 0.87 0.22 -1.55 1.55 5.85 -0.95 -0.86 115.31 120.45 1jfa h LEU 227 Ca 0.21 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1jfa h LEU 227 Cb 0.17 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1jfa h LEU 227 CO -0.02 0.50 -0.07 0.24 -0.34 0.00 0.00 178.44 178.75 1jfa h MET 228 N -0.06 0.20 0.00 1.25 2.86 -1.20 -2.09 114.93 115.90 1jfa h MET 228 Ca 0.03 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1jfa h MET 228 Cb 0.39 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jfa h MET 228 CO 0.01 0.29 -0.14 0.77 1.06 0.00 0.00 176.91 178.90 1jfa h SER 229 N 0.20 0.00 -1.04 1.22 0.02 -1.10 -3.36 113.55 109.49 1jfa h SER 229 Ca 0.04 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 61.28 1jfa h SER 229 Cb 0.26 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.68 1jfa h SER 229 CO 0.01 0.14 0.63 0.15 -1.14 0.00 0.00 176.83 176.62 1jfa h PHE 230 N 0.00 0.86 -0.12 3.45 3.57 -0.41 -1.16 116.94 123.13 1jfa h PHE 230 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1jfa h PHE 230 Cb 1.09 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1jfa h PHE 230 CO 0.00 -0.03 -0.02 -0.92 -2.23 0.00 0.00 178.31 175.11 1jfa h TYR 231 N 0.42 0.26 -0.22 0.41 3.20 -1.75 -1.88 116.97 117.40 1jfa h TYR 231 Ca 0.67 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.40 1jfa h TYR 231 Cb 1.55 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 1jfa h TYR 231 CO -0.01 0.52 -0.25 1.57 -1.64 0.00 0.00 178.16 178.35 1jfa h LYS 232 N -0.08 0.41 -0.00 1.82 2.10 -1.45 -2.80 116.57 116.57 1jfa h LYS 232 Ca 0.03 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1jfa h LYS 232 Cb 0.43 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1jfa h LYS 232 CO 0.01 0.64 -0.14 0.39 -2.00 0.00 0.00 179.45 178.35 1jfa n GLU 233 N -4.13 0.70 0.06 0.07 1.02 -0.62 -4.25 120.64 113.49 1jfa n GLU 233 Ca -0.00 -0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 56.75 1jfa n GLU 233 Cb 0.39 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.27 1jfa n GLU 233 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1jfa h PHE 234 N 0.68 -0.36 -0.42 -0.32 3.57 -1.05 -3.07 116.94 115.97 1jfa h PHE 234 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1jfa h PHE 234 Cb 0.39 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1jfa h PHE 234 CO 0.00 -0.21 0.00 -0.25 -2.23 0.00 0.00 178.31 175.62 1jfa n ASP 235 N -5.27 4.35 -4.43 0.41 8.00 -1.26 -4.91 116.55 113.44 1jfa n ASP 235 Ca -0.05 -2.75 -0.44 0.00 0.71 0.00 0.00 54.79 52.26 1jfa n ASP 235 Cb 0.19 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1jfa n ASP 235 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jfa s ASP 236 N -1.34 6.40 0.16 -2.24 2.15 -1.16 -4.87 116.67 115.76 1jfa s ASP 236 Ca 0.44 -1.61 0.13 0.00 0.43 0.00 0.00 52.55 51.94 1jfa s ASP 236 Cb 0.33 -2.38 0.65 0.00 -0.30 0.00 0.00 42.92 41.22 1jfa s ASP 236 CO 0.15 -1.17 1.39 -0.62 -0.17 0.00 0.00 175.17 174.74 1jfa n GLU 237 N 6.76 0.08 0.05 4.34 1.02 -1.26 -2.19 120.64 129.43 1jfa n GLU 237 Ca 0.08 0.53 -0.20 0.00 -0.02 0.00 0.00 57.16 57.55 1jfa n GLU 237 Cb 0.46 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 1jfa n GLU 237 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jfa h ARG 238 N 0.00 0.31 -6.22 3.49 3.08 -1.97 -3.40 114.38 109.66 1jfa h ARG 238 Ca 0.00 -0.51 -0.57 0.00 0.07 0.00 0.00 59.98 58.97 1jfa h ARG 238 Cb 0.06 0.19 -0.09 0.00 0.08 0.00 0.00 29.97 30.21 1jfa h ARG 238 CO 0.00 1.24 1.28 0.34 -1.07 0.00 0.00 179.97 181.76 1jfa s ASP 239 N -6.96 6.31 0.22 7.04 2.15 -0.93 -4.80 116.67 119.70 1jfa s ASP 239 Ca -0.13 -0.95 0.20 0.00 0.43 0.00 0.00 52.55 52.10 1jfa s ASP 239 Cb 0.01 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.10 1jfa s ASP 239 CO 0.83 -1.69 1.16 1.56 -0.17 0.00 0.00 175.17 176.86 1jfa h GLN 240 N 9.98 0.00 -6.39 4.34 4.20 -1.81 -3.47 115.11 121.96 1jfa h GLN 240 Ca -0.03 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.04 1jfa h GLN 240 Cb 1.03 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.55 1jfa h GLN 240 CO 1.35 0.15 -0.86 0.96 -0.67 0.00 0.00 178.83 179.77 1jfa s ILE 241 N -3.16 1.89 -0.05 2.54 -4.36 -1.26 -4.87 121.20 111.93 1jfa s ILE 241 Ca 0.01 -1.29 -0.31 0.00 -0.26 0.00 0.00 60.65 58.80 1jfa s ILE 241 Cb 0.08 -1.63 0.12 0.00 1.25 0.00 0.00 42.46 42.28 1jfa s ILE 241 CO 0.77 0.28 1.17 -0.94 0.24 0.00 0.00 174.94 176.46 1jfa s SER 242 N -1.21 -0.13 0.18 4.36 1.04 -1.26 -4.98 113.70 111.69 1jfa s SER 242 Ca 0.09 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 1jfa s SER 242 Cb -0.09 0.23 0.15 0.00 0.10 0.00 0.00 66.02 66.41 1jfa s SER 242 CO 0.02 -0.40 1.72 0.25 0.98 0.00 0.00 173.24 175.81 1jfa h LEU 243 N 2.00 0.03 -0.16 2.42 5.85 -1.98 0.17 115.31 123.64 1jfa h LEU 243 Ca -0.22 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1jfa h LEU 243 Cb 1.20 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1jfa h LEU 243 CO 0.26 0.05 -0.02 0.58 -0.34 0.00 0.00 178.44 178.98 1jfa h VAL 244 N 0.24 1.27 -0.22 1.05 2.07 -1.96 -1.13 116.25 117.57 1jfa h VAL 244 Ca 0.23 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1jfa h VAL 244 Cb 0.28 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1jfa h VAL 244 CO -0.28 0.27 0.04 0.11 0.02 0.00 0.00 177.57 177.73 1jfa h LYS 245 N 0.01 0.31 0.00 1.57 1.57 -1.84 -1.67 116.57 116.53 1jfa h LYS 245 Ca 0.04 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1jfa h LYS 245 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1jfa h LYS 245 CO 0.01 0.30 -0.84 -0.91 -0.57 0.00 0.00 179.45 177.44 1jfa h ASN 246 N 0.31 0.04 -0.54 0.86 2.35 -0.52 -2.35 115.58 115.73 1jfa h ASN 246 Ca 0.08 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1jfa h ASN 246 Cb 0.14 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1jfa h ASN 246 CO -0.00 0.86 0.36 1.88 -1.65 0.00 0.00 177.43 178.88 1jfa h TYR 247 N 0.01 0.68 0.13 1.19 0.05 -0.29 0.39 116.97 119.14 1jfa h TYR 247 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1jfa h TYR 247 Cb 1.48 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 1jfa h TYR 247 CO 0.00 0.43 -0.14 0.28 -1.05 0.00 0.00 178.16 177.69 1jfa h VAL 248 N 0.74 0.69 -0.22 -2.88 2.07 -1.28 0.15 116.25 115.52 1jfa h VAL 248 Ca 0.20 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 1jfa h VAL 248 Cb -0.08 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1jfa h VAL 248 CO -0.04 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 178.04 1jfa h VAL 249 N -0.30 1.30 0.13 2.57 2.07 -1.13 -1.94 116.25 118.95 1jfa h VAL 249 Ca 0.01 -1.14 -0.18 0.00 0.82 0.00 0.00 66.70 66.21 1jfa h VAL 249 Cb 0.29 1.58 0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1jfa h VAL 249 CO -0.04 0.35 -0.79 0.28 0.02 0.00 0.00 177.57 177.39 1jfa h SER 250 N 0.17 0.47 0.65 0.57 0.02 -0.23 -3.34 113.55 111.85 1jfa h SER 250 Ca 0.05 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1jfa h SER 250 Cb 0.57 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1jfa h SER 250 CO 0.03 1.37 -0.25 0.47 -1.14 0.00 0.00 176.83 177.31 1jfa n ASP 251 N -4.14 0.34 -3.36 3.07 8.00 0.51 0.05 116.55 121.02 1jfa n ASP 251 Ca -0.14 -0.05 -0.18 0.00 0.71 0.00 0.00 54.79 55.13 1jfa n ASP 251 Cb 0.81 -0.07 0.07 0.00 -0.02 0.00 0.00 41.12 41.90 1jfa n ASP 251 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jfa n GLU 252 N -1.39 -2.66 -4.41 -1.24 1.02 -0.75 -4.90 120.64 106.31 1jfa n GLU 252 Ca 0.08 0.79 -0.21 0.00 -0.02 0.00 0.00 57.16 57.80 1jfa n GLU 252 Cb 0.33 -5.55 -0.09 0.00 -0.02 0.00 0.00 31.44 26.11 1jfa n GLU 252 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1jfa s ILE 253 N -3.41 0.64 0.54 -3.67 -4.36 -1.10 -5.06 121.20 104.79 1jfa s ILE 253 Ca 0.39 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.63 1jfa s ILE 253 Cb -0.07 -2.55 -0.07 0.00 1.25 0.00 0.00 42.46 41.03 1jfa s ILE 253 CO 0.76 0.00 1.00 -0.94 0.24 0.00 0.00 174.94 176.00 1jfa s SER 254 N -3.46 6.42 0.55 4.36 1.04 -1.26 -4.53 113.70 116.82 1jfa s SER 254 Ca 0.33 1.59 0.25 0.00 0.48 0.00 0.00 55.95 58.60 1jfa s SER 254 Cb 0.06 -2.51 1.46 0.00 0.10 0.00 0.00 66.02 65.13 1jfa s SER 254 CO 0.16 -0.73 2.03 0.25 0.98 0.00 0.00 173.24 175.93 1jfa h LEU 255 N 0.65 0.00 0.03 2.42 5.85 -1.96 -0.36 115.31 121.94 1jfa h LEU 255 Ca -0.46 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1jfa h LEU 255 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1jfa h LEU 255 CO 0.61 0.00 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.95 1jfa h HIS 256 N 0.00 -0.04 -0.94 1.25 2.76 -1.99 -2.04 115.15 114.16 1jfa h HIS 256 Ca 0.17 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.42 1jfa h HIS 256 Cb 0.77 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.67 1jfa h HIS 256 CO 0.00 0.54 0.59 0.93 -1.30 0.00 0.00 177.93 178.69 1jfa h GLU 257 N -0.64 1.01 -0.40 5.26 5.08 -1.66 0.81 114.58 124.04 1jfa h GLU 257 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jfa h GLU 257 Cb 0.59 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1jfa h GLU 257 CO 0.01 0.67 0.26 0.00 -1.00 0.00 0.00 179.01 178.95 1jfa h ALA 258 N 1.45 0.51 0.00 3.43 0.00 -1.10 -0.58 119.26 122.97 1jfa h ALA 258 Ca 0.42 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1jfa h ALA 258 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jfa h ALA 258 CO -0.19 -0.03 -0.30 1.25 0.00 0.00 0.00 179.25 179.98 1jfa h LEU 259 N 0.54 0.00 -0.12 0.00 5.85 -0.51 -2.03 115.31 119.04 1jfa h LEU 259 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1jfa h LEU 259 Cb -0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1jfa h LEU 259 CO -0.03 0.30 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.99 1jfa h GLU 260 N 0.00 0.24 0.07 1.25 5.08 -0.12 -1.84 114.58 119.26 1jfa h GLU 260 Ca -0.00 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1jfa h GLU 260 Cb 0.55 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1jfa h GLU 260 CO 0.04 0.57 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.05 1jfa h LYS 261 N -0.11 -0.52 -0.49 2.33 3.64 -0.79 -0.42 116.57 120.21 1jfa h LYS 261 Ca 0.03 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1jfa h LYS 261 Cb 0.49 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 1jfa h LYS 261 CO 0.02 -0.35 -0.12 1.25 -2.27 0.00 0.00 179.45 177.98 1jfa h LEU 262 N -0.54 -0.45 -0.93 5.20 5.85 -1.34 -1.17 115.31 121.93 1jfa h LEU 262 Ca 0.04 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1jfa h LEU 262 Cb 0.60 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1jfa h LEU 262 CO -0.24 -0.16 0.32 0.71 -0.34 0.00 0.00 178.44 178.74 1jfa h THR 263 N 0.00 1.25 -0.69 1.05 1.35 -0.79 0.60 112.91 115.68 1jfa h THR 263 Ca 0.24 -0.74 -0.07 0.00 -0.55 0.00 0.00 66.41 65.28 1jfa h THR 263 Cb 0.36 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 1jfa h THR 263 CO -0.50 0.31 0.15 1.56 -0.25 0.00 0.00 175.52 176.78 1jfa h GLN 264 N 1.08 1.12 -0.40 4.72 4.20 -0.30 -0.11 115.11 125.43 1jfa h GLN 264 Ca 0.26 -0.28 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1jfa h GLN 264 Cb 0.17 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1jfa h GLN 264 CO -0.03 1.00 -0.21 -0.44 -0.67 0.00 0.00 178.83 178.49 1jfa h ASP 265 N 1.05 0.87 -0.34 1.46 3.32 -0.88 -1.66 116.42 120.24 1jfa h ASP 265 Ca 0.21 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1jfa h ASP 265 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1jfa h ASP 265 CO 0.01 1.09 0.12 0.74 -1.72 0.00 0.00 179.24 179.48 1jfa h THR 266 N 0.66 1.19 -0.23 0.35 2.02 -0.62 -0.02 112.91 116.26 1jfa h THR 266 Ca 0.09 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.57 1jfa h THR 266 Cb 0.77 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1jfa h THR 266 CO 0.06 0.21 -0.20 -0.07 0.37 0.00 0.00 175.52 175.90 1jfa h LEU 267 N 0.40 0.58 -0.84 2.58 3.38 -1.04 -1.92 115.31 118.45 1jfa h LEU 267 Ca 0.11 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1jfa h LEU 267 Cb 0.21 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1jfa h LEU 267 CO -0.01 0.92 0.37 -0.74 0.09 0.00 0.00 178.44 179.07 1jfa h HIS 268 N 0.25 1.22 -0.71 1.13 2.76 -1.28 -0.59 115.15 117.93 1jfa h HIS 268 Ca 0.04 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1jfa h HIS 268 Cb 0.74 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1jfa h HIS 268 CO 0.07 0.90 0.42 1.03 -1.30 0.00 0.00 177.93 179.05 1jfa h SER 269 N 1.19 0.87 0.32 3.26 0.87 -0.90 -1.13 113.55 118.03 1jfa h SER 269 Ca 0.28 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1jfa h SER 269 Cb 0.16 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1jfa h SER 269 CO -0.03 0.68 -0.15 0.28 -0.53 0.00 0.00 176.83 177.08 1jfa h SER 270 N 0.97 -0.36 -0.64 6.23 0.02 -0.85 -0.90 113.55 118.02 1jfa h SER 270 Ca 0.25 -0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.22 1jfa h SER 270 Cb -0.01 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.54 1jfa h SER 270 CO -0.05 -0.11 0.17 0.50 -1.14 0.00 0.00 176.83 176.21 1jfa h LYS 271 N -0.62 0.30 0.00 3.45 3.64 -0.96 -0.77 116.57 121.61 1jfa h LYS 271 Ca -0.04 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1jfa h LYS 271 Cb 0.45 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1jfa h LYS 271 CO 0.07 0.20 -0.35 1.96 -2.27 0.00 0.00 179.45 179.06 1jfa h GLN 272 N 0.31 0.00 -0.51 1.90 1.08 -1.11 -1.69 115.11 115.09 1jfa h GLN 272 Ca 0.34 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.47 1jfa h GLN 272 Cb 0.50 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1jfa h GLN 272 CO -0.40 0.35 0.05 1.98 -0.95 0.00 0.00 178.83 179.86 1jfa h MET 273 N 0.00 0.86 0.10 1.46 4.05 0.30 -2.15 114.93 119.55 1jfa h MET 273 Ca -0.00 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1jfa h MET 273 Cb 0.82 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1jfa h MET 273 CO 0.05 0.87 -0.05 0.28 0.23 0.00 0.00 176.91 178.29 1jfa h VAL 274 N 0.73 1.12 -1.00 -5.77 2.07 -1.20 -2.75 116.25 109.46 1jfa h VAL 274 Ca 0.15 -1.03 0.21 0.00 0.82 0.00 0.00 66.70 66.85 1jfa h VAL 274 Cb 0.45 1.76 -0.10 0.00 -1.52 0.00 0.00 31.29 31.88 1jfa h VAL 274 CO 0.02 0.24 0.62 0.00 0.02 0.00 0.00 177.57 178.46 1jfa h ALA 275 N 0.18 1.82 0.13 1.67 0.00 -1.28 -1.10 119.26 120.68 1jfa h ALA 275 Ca -0.01 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 1jfa h ALA 275 Cb 0.50 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jfa h ALA 275 CO 0.02 -0.20 -0.98 0.28 0.00 0.00 0.00 179.25 178.37 1jfa h VAL 276 N 0.65 1.41 0.00 0.00 2.07 -1.43 -3.40 116.25 115.56 1jfa h VAL 276 Ca 0.58 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1jfa h VAL 276 Cb 1.05 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.77 1jfa h VAL 276 CO -0.36 0.72 -1.07 0.49 0.02 0.00 0.00 177.57 177.37 1jfa n PHE 277 N -4.01 0.07 -0.22 1.57 3.72 -1.04 -4.49 117.46 113.06 1jfa n PHE 277 Ca -0.14 0.02 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 1jfa n PHE 277 Cb 0.88 -0.22 0.14 0.00 -0.94 0.00 0.00 39.48 39.34 1jfa n PHE 277 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1jfa h SER 278 N 0.00 0.04 -0.67 4.37 0.02 -1.41 -2.01 113.55 113.89 1jfa h SER 278 Ca 0.00 0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.89 1jfa h SER 278 Cb 0.63 0.16 -0.11 0.00 0.14 0.00 0.00 62.40 63.22 1jfa h SER 278 CO 0.00 0.01 0.23 -0.90 -1.14 0.00 0.00 176.83 175.03 1jfa n ASP 279 N -5.12 4.75 -4.39 3.07 5.75 -1.26 -4.95 116.55 114.40 1jfa n ASP 279 Ca 0.11 -3.09 -0.20 0.00 -0.01 0.00 0.00 54.79 51.61 1jfa n ASP 279 Cb 0.37 -0.72 0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1jfa n ASP 279 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jfa n LYS 280 N -0.02 0.76 -1.55 0.11 4.01 -0.75 -5.00 118.16 115.72 1jfa n LYS 280 Ca 0.37 -2.76 -0.60 0.00 -0.51 0.00 0.00 58.31 54.80 1jfa n LYS 280 Cb 1.30 0.11 -0.09 0.00 -0.51 0.00 0.00 35.03 35.84 1jfa n LYS 280 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1jfa n ASP 281 N -2.09 0.86 -0.06 4.39 -0.08 -1.26 -4.72 116.55 113.59 1jfa n ASP 281 Ca 0.04 1.08 0.11 0.00 -1.51 0.00 0.00 54.79 54.52 1jfa n ASP 281 Cb 0.51 -0.81 0.50 0.00 2.34 0.00 0.00 41.12 43.66 1jfa n ASP 281 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1jfa h PRO 282 N 4.17 0.38 -0.47 -0.67 0.13 -1.92 -1.46 132.00 132.16 1jfa h PRO 282 Ca -0.42 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 1jfa h PRO 282 Cb 1.27 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1jfa h PRO 282 CO 0.83 0.25 -0.19 0.37 -0.23 0.00 0.00 178.00 179.03 1jfa h GLN 283 N 0.40 0.94 0.66 0.86 4.15 -2.00 -1.97 115.11 118.15 1jfa h GLN 283 Ca 0.26 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1jfa h GLN 283 Cb 0.50 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.15 1jfa h GLN 283 CO -0.07 1.04 -0.32 0.28 -1.93 0.00 0.00 178.83 177.84 1jfa h VAL 284 N 0.82 0.29 -0.79 2.39 2.07 -1.65 -2.18 116.25 117.19 1jfa h VAL 284 Ca 0.11 -0.16 0.19 0.00 0.82 0.00 0.00 66.70 67.66 1jfa h VAL 284 Cb 0.75 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1jfa h VAL 284 CO 0.06 0.02 0.54 -0.03 0.02 0.00 0.00 177.57 178.18 1jfa h MET 285 N -1.01 0.25 -0.03 1.57 1.85 -1.30 -0.34 114.93 115.93 1jfa h MET 285 Ca -0.09 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 58.97 1jfa h MET 285 Cb 0.71 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.68 1jfa h MET 285 CO 0.15 0.16 -0.02 0.22 -0.40 0.00 0.00 176.91 177.02 1jfa h ASP 286 N 0.25 0.07 -0.67 1.39 3.58 -1.14 0.30 116.42 120.21 1jfa h ASP 286 Ca 0.39 -0.47 0.02 0.00 0.42 0.00 0.00 57.03 57.39 1jfa h ASP 286 Cb 1.16 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.15 1jfa h ASP 286 CO -0.10 0.52 0.43 0.74 -2.88 0.00 0.00 179.24 177.96 1jfa h THR 287 N -0.39 1.13 -0.43 2.25 2.02 -0.63 0.25 112.91 117.12 1jfa h THR 287 Ca 0.00 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 1jfa h THR 287 Cb 0.50 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1jfa h THR 287 CO 0.01 0.16 0.11 0.40 0.37 0.00 0.00 175.52 176.57 1jfa h ILE 288 N 0.86 1.23 -0.29 3.11 2.04 -1.08 -0.95 117.51 122.42 1jfa h ILE 288 Ca 0.26 -0.77 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 1jfa h ILE 288 Cb -0.04 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1jfa h ILE 288 CO -0.08 0.27 -0.17 -0.08 0.00 0.00 0.00 178.15 178.10 1jfa h GLU 289 N 0.55 0.63 -0.38 2.37 4.81 -0.54 -2.29 114.58 119.73 1jfa h GLU 289 Ca 0.13 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1jfa h GLU 289 Cb 0.30 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1jfa h GLU 289 CO -0.00 0.87 0.02 0.00 -0.73 0.00 0.00 179.01 179.17 1jfa h PHE 291 N 0.57 0.82 -0.27 0.00 3.57 -1.02 0.24 116.94 120.86 1jfa h PHE 291 Ca 0.12 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1jfa h PHE 291 Cb 0.34 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1jfa h PHE 291 CO 0.01 0.81 0.09 0.52 -2.23 0.00 0.00 178.31 177.52 1jfa h MET 292 N 0.59 0.41 -0.26 1.11 2.86 -1.04 0.17 114.93 118.78 1jfa h MET 292 Ca 0.12 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1jfa h MET 292 Cb 0.48 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1jfa h MET 292 CO 0.02 0.46 -0.12 0.45 1.06 0.00 0.00 176.91 178.78 1jfa h HIS 293 N 0.28 0.62 -0.46 -0.22 3.86 -1.15 -2.11 115.15 115.96 1jfa h HIS 293 Ca 0.09 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1jfa h HIS 293 Cb 0.21 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1jfa h HIS 293 CO -0.00 0.79 0.30 0.78 0.86 0.00 0.00 177.93 180.66 1jfa h GLY 294 N 0.27 0.65 1.10 2.45 0.00 -0.44 0.15 103.07 107.25 1jfa h GLY 294 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1jfa h GLY 294 CO 0.04 0.23 0.61 -1.82 0.00 0.00 0.00 176.54 175.60 1jfa h TYR 295 N 0.61 1.16 -0.15 5.60 3.20 -0.59 0.33 116.97 127.14 1jfa h TYR 295 Ca 0.17 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.90 1jfa h TYR 295 Cb -0.06 -0.39 0.01 0.00 1.54 0.00 0.00 36.73 37.83 1jfa h TYR 295 CO -0.05 0.73 -0.56 0.28 -1.64 0.00 0.00 178.16 176.93 1jfa h VAL 296 N 1.25 1.33 -0.53 1.81 2.07 -0.96 -2.80 116.25 118.41 1jfa h VAL 296 Ca 0.34 -1.82 0.05 0.00 0.82 0.00 0.00 66.70 66.09 1jfa h VAL 296 Cb -0.14 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1jfa h VAL 296 CO -0.07 0.56 0.26 0.74 0.02 0.00 0.00 177.57 179.08 1jfa h THR 297 N 0.31 0.94 -0.68 2.57 2.02 -0.50 -1.42 112.91 116.15 1jfa h THR 297 Ca -0.03 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1jfa h THR 297 Cb 1.19 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1jfa h THR 297 CO 0.12 0.09 0.43 -0.25 0.37 0.00 0.00 175.52 176.29 1jfa h TRP 298 N 0.51 0.82 -0.69 3.16 7.01 -0.94 0.01 115.95 125.82 1jfa h TRP 298 Ca 0.24 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.20 1jfa h TRP 298 Cb 0.16 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 1jfa h TRP 298 CO -0.11 0.49 0.21 0.45 -2.79 0.00 0.00 178.44 176.69 1jfa h HIS 299 N 0.87 1.11 -0.05 2.65 3.86 -1.14 -0.36 115.15 122.09 1jfa h HIS 299 Ca 0.26 -0.11 -0.15 0.00 -1.16 0.00 0.00 60.37 59.22 1jfa h HIS 299 Cb -0.04 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.09 1jfa h HIS 299 CO -0.04 0.89 -0.62 -0.07 0.86 0.00 0.00 177.93 178.95 1jfa h LEU 300 N 1.03 0.22 0.00 2.43 3.38 -0.73 -3.33 115.31 118.32 1jfa h LEU 300 Ca 0.22 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1jfa h LEU 300 Cb 0.31 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1jfa h LEU 300 CO -0.01 0.79 -1.49 0.00 0.09 0.00 0.00 178.44 177.82 1jfa s ASP 302 N -5.98 7.12 0.55 0.00 -1.08 -0.16 -4.91 116.67 112.20 1jfa s ASP 302 Ca -0.03 1.67 0.23 0.00 -0.52 0.00 0.00 52.55 53.90 1jfa s ASP 302 Cb 0.08 -2.55 1.45 0.00 -1.46 0.00 0.00 42.92 40.44 1jfa s ASP 302 CO 0.82 -0.56 2.09 0.03 0.52 0.00 0.00 175.17 178.07 1jfa h ARG 303 N 7.38 0.00 -1.07 4.34 3.08 -1.89 -2.42 114.38 123.80 1jfa h ARG 303 Ca -0.31 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.05 1jfa h ARG 303 Cb 1.14 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.07 1jfa h ARG 303 CO 0.89 0.00 0.65 -0.09 -1.07 0.00 0.00 179.97 180.34 1jfa h ARG 304 N 0.00 0.34 -0.00 0.04 2.43 -1.93 0.33 114.38 115.59 1jfa h ARG 304 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1jfa h ARG 304 Cb 0.49 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1jfa h ARG 304 CO -0.00 0.23 -0.24 0.66 -1.51 0.00 0.00 179.97 179.10 1jfa n TYR 305 N -4.85 0.00 -2.66 2.20 4.01 -0.91 -4.94 117.16 110.01 1jfa n TYR 305 Ca 0.30 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.94 1jfa n TYR 305 Cb 0.99 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 39.75 1jfa n TYR 305 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jfa n ARG 306 N -1.19 -2.63 0.27 -0.72 1.74 0.12 -4.34 116.66 109.91 1jfa n ARG 306 Ca 0.10 0.33 0.16 0.00 -0.77 0.00 0.00 57.85 57.66 1jfa n ARG 306 Cb 0.32 -4.91 0.74 0.00 -1.02 0.00 0.00 32.46 27.59 1jfa n ARG 306 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jfa h LEU 307 N -0.16 0.00 -1.45 0.55 3.38 -1.83 -2.29 115.31 113.50 1jfa h LEU 307 Ca -0.21 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.92 1jfa h LEU 307 Cb 1.15 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1jfa h LEU 307 CO 0.26 0.08 0.55 0.77 0.09 0.00 0.00 178.44 180.18 1jfa h SER 308 N 0.00 0.49 -0.37 -0.43 4.64 -1.87 -1.02 113.55 115.00 1jfa h SER 308 Ca -0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jfa h SER 308 Cb 0.43 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1jfa h SER 308 CO 0.01 0.24 0.23 -0.33 -0.87 0.00 0.00 176.83 176.12 1jfa h GLU 309 N 0.52 0.50 -0.38 4.77 5.08 -1.80 -0.34 114.58 122.94 1jfa h GLU 309 Ca 0.42 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 1jfa h GLU 309 Cb 0.85 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1jfa h GLU 309 CO -0.16 0.36 0.09 0.82 -1.00 0.00 0.00 179.01 179.12 1jfa h ILE 310 N 0.49 1.17 0.38 3.13 2.04 -1.35 -2.67 117.51 120.71 1jfa h ILE 310 Ca 0.13 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1jfa h ILE 310 Cb -0.02 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1jfa h ILE 310 CO -0.03 0.22 -0.18 0.22 0.00 0.00 0.00 178.15 178.38 1jfa h TYR 311 N 0.55 -0.48 0.00 1.37 3.20 -1.02 -2.83 116.97 117.76 1jfa h TYR 311 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1jfa h TYR 311 Cb 0.21 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1jfa h TYR 311 CO 0.01 -0.17 0.00 -1.91 -1.64 0.00 0.00 178.16 174.45 1jfa n GLU 312 N -5.21 0.23 -0.00 1.82 4.07 -0.18 -0.13 120.64 121.25 1jfa n GLU 312 Ca -0.10 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.02 1jfa n GLU 312 Cb 0.28 -1.20 -0.03 0.00 -0.06 0.00 0.00 31.44 30.42 1jfa n GLU 312 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1jfa n LYS 313 N -0.70 4.53 -0.02 5.31 4.81 -1.03 -4.59 118.16 126.46 1jfa n LYS 313 Ca 0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1jfa n LYS 313 Cb 0.01 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1jfa n LYS 313 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1jfa n VAL 314 N -1.21 0.32 -0.34 3.15 0.24 -0.50 -4.86 118.33 115.14 1jfa n VAL 314 Ca 0.01 -0.33 0.26 0.00 -2.04 0.00 0.00 64.34 62.24 1jfa n VAL 314 Cb 0.09 0.82 0.51 0.00 -1.47 0.00 0.00 33.84 33.79 1jfa n VAL 314 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1jfa h LYS 315 N 0.00 0.25 -2.55 7.34 3.64 -0.78 -3.07 116.57 121.40 1jfa h LYS 315 Ca 0.00 -0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.77 1jfa h LYS 315 Cb 0.87 -0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 32.24 1jfa h LYS 315 CO 0.00 0.17 -0.87 -1.83 -2.27 0.00 0.00 179.45 174.64 1jfa s GLU 316 N -5.60 1.27 -0.04 1.90 -1.05 -1.26 -5.02 118.70 108.91 1jfa s GLU 316 Ca -0.10 -2.38 -0.02 0.00 -0.15 0.00 0.00 54.97 52.32 1jfa s GLU 316 Cb 0.30 -1.91 0.03 0.00 -0.44 0.00 0.00 34.13 32.12 1jfa s GLU 316 CO 0.79 -1.36 0.05 -2.00 0.95 0.00 0.00 175.26 173.70 1jfa s GLU 317 N -0.27 -0.06 0.00 -4.83 2.12 -1.16 -5.05 118.70 109.45 1jfa s GLU 317 Ca 0.30 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.97 1jfa s GLU 317 Cb 0.01 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 33.93 1jfa s GLU 317 CO -0.18 -0.30 0.35 1.63 -0.54 0.00 0.00 175.26 176.22 1jfa n LYS 318 N 5.10 0.68 -2.39 4.30 4.76 -1.26 -4.34 118.16 125.01 1jfa n LYS 318 Ca -0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.06 1jfa n LYS 318 Cb 0.50 -1.33 -0.01 0.00 -1.84 0.00 0.00 35.03 32.35 1jfa n LYS 318 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1jfa s THR 319 N -0.95 4.75 0.02 -0.18 -4.23 -1.26 -5.00 115.64 108.80 1jfa s THR 319 Ca 0.00 0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 60.92 1jfa s THR 319 Cb 0.00 -3.81 -0.16 0.00 1.34 0.00 0.00 72.50 69.86 1jfa s THR 319 CO 0.00 -0.85 1.26 -0.08 -0.54 0.00 0.00 174.62 174.41 1jfa h GLU 320 N 0.38 -0.75 0.03 3.99 4.81 -2.01 -3.01 114.58 118.02 1jfa h GLU 320 Ca -0.46 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1jfa h GLU 320 Cb 1.19 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 1jfa h GLU 320 CO 0.62 -0.44 -0.33 -0.44 -0.73 0.00 0.00 179.01 177.68 1jfa h ASP 321 N -1.03 -0.99 -0.74 1.04 3.32 -1.96 -2.48 116.42 113.58 1jfa h ASP 321 Ca -0.08 0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.23 1jfa h ASP 321 Cb 0.66 0.39 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 1jfa h ASP 321 CO 0.13 -0.40 -0.25 0.00 -1.72 0.00 0.00 179.24 177.00 1jfa h ALA 322 N 0.17 0.33 -0.76 3.45 0.00 -1.88 0.35 119.26 120.92 1jfa h ALA 322 Ca 0.05 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1jfa h ALA 322 Cb 0.58 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1jfa h ALA 322 CO -0.25 -0.50 0.27 1.96 0.00 0.00 0.00 179.25 180.72 1jfa h GLN 323 N -0.05 1.16 -0.60 0.00 4.20 -1.36 -1.29 115.11 117.17 1jfa h GLN 323 Ca 0.33 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 1jfa h GLN 323 Cb 0.56 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1jfa h GLN 323 CO -0.78 0.96 0.19 0.87 -0.67 0.00 0.00 178.83 179.41 1jfa h LYS 324 N 1.12 0.93 0.19 1.46 1.57 -0.73 -0.59 116.57 120.52 1jfa h LYS 324 Ca 0.25 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1jfa h LYS 324 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1jfa h LYS 324 CO -0.01 0.83 -0.09 0.35 -0.57 0.00 0.00 179.45 179.96 1jfa h PHE 325 N 0.86 -0.23 -0.29 -1.35 3.57 -0.66 -0.83 116.94 118.00 1jfa h PHE 325 Ca 0.20 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1jfa h PHE 325 Cb 0.28 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1jfa h PHE 325 CO 0.02 -0.10 0.13 0.00 -2.23 0.00 0.00 178.31 176.13 1jfa h LYS 327 N 0.40 0.23 -0.38 0.00 1.57 -0.77 -0.65 116.57 116.97 1jfa h LYS 327 Ca 0.10 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1jfa h LYS 327 Cb 0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1jfa h LYS 327 CO -0.01 0.53 0.20 0.74 -0.57 0.00 0.00 179.45 180.34 1jfa h PHE 328 N -0.09 0.37 -0.56 -1.35 0.04 -0.46 -1.22 116.94 113.67 1jfa h PHE 328 Ca 0.03 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.84 1jfa h PHE 328 Cb 0.45 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 1jfa h PHE 328 CO 0.05 0.20 0.34 -0.92 -0.60 0.00 0.00 178.31 177.39 1jfa h TYR 329 N 0.41 0.63 -0.62 -0.55 5.03 -0.76 -0.82 116.97 120.29 1jfa h TYR 329 Ca 0.15 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.45 1jfa h TYR 329 Cb 0.04 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 1jfa h TYR 329 CO -0.09 0.35 0.23 0.93 -1.32 0.00 0.00 178.16 178.27 1jfa h GLU 330 N 0.66 0.91 -0.17 1.82 5.08 -0.78 -0.66 114.58 121.44 1jfa h GLU 330 Ca 0.23 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1jfa h GLU 330 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1jfa h GLU 330 CO -0.10 0.75 0.11 1.96 -1.00 0.00 0.00 179.01 180.73 1jfa h GLN 331 N 0.89 0.23 0.12 2.33 4.20 -0.20 -1.84 115.11 120.84 1jfa h GLN 331 Ca 0.21 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.91 1jfa h GLN 331 Cb 0.19 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1jfa h GLN 331 CO -0.02 0.16 -0.17 0.00 -0.67 0.00 0.00 178.83 178.14 1jfa h ALA 332 N 1.06 -0.30 -0.98 3.87 0.00 -0.74 -2.75 119.26 119.41 1jfa h ALA 332 Ca 0.06 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1jfa h ALA 332 Cb -0.02 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1jfa h ALA 332 CO -0.01 -0.70 0.59 0.00 0.00 0.00 0.00 179.25 179.13 1jfa h ALA 333 N 0.48 1.59 -0.40 0.00 0.00 -0.92 1.24 119.26 121.25 1jfa h ALA 333 Ca 0.02 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1jfa h ALA 333 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jfa h ALA 333 CO -0.08 -0.01 0.28 -0.91 0.00 0.00 0.00 179.25 178.54 1jfa h ASN 334 N 0.78 0.11 0.00 0.00 2.35 -1.02 -0.93 115.58 116.87 1jfa h ASN 334 Ca 0.55 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.26 1jfa h ASN 334 Cb 0.80 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1jfa h ASN 334 CO -0.36 0.07 -1.27 1.33 -1.65 0.00 0.00 177.43 175.55 1jfa n VAL 335 N -4.45 0.17 -0.04 2.81 0.24 -0.67 -4.79 118.33 111.60 1jfa n VAL 335 Ca 0.06 -0.16 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 1jfa n VAL 335 Cb 0.39 -0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 32.29 1jfa n VAL 335 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jfa n GLY 336 N 2.51 -0.93 3.58 7.63 0.00 0.42 -4.73 105.19 113.67 1jfa n GLY 336 Ca -0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1jfa n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfa s ALA 337 N -2.57 2.74 -0.02 4.61 0.00 -0.36 -4.95 121.76 121.20 1jfa s ALA 337 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 1jfa s ALA 337 Cb 0.07 -4.08 0.03 0.00 0.00 0.00 0.00 23.12 19.14 1jfa s ALA 337 CO 0.81 -2.93 0.03 0.08 0.00 0.00 0.00 175.76 173.75 1jfa s VAL 338 N 6.91 -0.04 0.17 0.00 1.01 -1.26 -4.92 120.40 122.26 1jfa s VAL 338 Ca 0.67 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 62.57 1jfa s VAL 338 Cb -0.16 -0.11 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1jfa s VAL 338 CO 0.29 0.10 1.48 -0.55 0.00 0.00 0.00 175.10 176.43 1jfa s SER 339 N 1.18 6.68 0.61 3.32 0.15 -1.26 -4.87 113.70 119.51 1jfa s SER 339 Ca -0.08 2.53 0.30 0.00 0.70 0.00 0.00 55.95 59.41 1jfa s SER 339 Cb -0.13 -2.60 1.66 0.00 -1.71 0.00 0.00 66.02 63.25 1jfa s SER 339 CO -0.03 -0.74 2.04 -0.65 1.20 0.00 0.00 173.24 175.06 1jfa h PRO 340 N 6.44 0.00 0.00 5.44 0.11 -2.00 -0.13 132.00 141.86 1jfa h PRO 340 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jfa h PRO 340 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jfa h PRO 340 CO 0.87 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.53 1jfa n SER 341 N -3.59 0.45 0.05 -2.05 3.41 -1.26 -0.16 113.62 110.47 1jfa n SER 341 Ca 0.02 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1jfa n SER 341 Cb 0.39 -0.73 0.22 0.00 -0.26 0.00 0.00 64.21 63.83 1jfa n SER 341 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jfa n GLU 342 N -2.04 0.24 0.00 4.33 1.02 -0.06 -4.69 120.64 119.44 1jfa n GLU 342 Ca 0.01 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1jfa n GLU 342 Cb 0.13 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1jfa n GLU 342 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1jfa n TRP 343 N -2.01 0.00 -2.82 -0.32 4.27 -0.84 -4.88 117.44 110.83 1jfa n TRP 343 Ca 0.04 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.21 1jfa n TRP 343 Cb 0.42 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.37 1jfa n TRP 343 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfa s ALA 344 N -1.00 3.76 -0.08 -1.67 0.00 0.77 -4.38 121.76 119.16 1jfa s ALA 344 Ca 0.00 -3.20 -0.30 0.00 0.00 0.00 0.00 51.96 48.46 1jfa s ALA 344 Cb 0.00 -4.30 0.09 0.00 0.00 0.00 0.00 23.12 18.91 1jfa s ALA 344 CO 0.00 -2.96 0.80 1.52 0.00 0.00 0.00 175.76 175.13 1jfa s TYR 345 N 2.49 -0.53 0.84 0.00 -0.85 -1.26 -4.68 117.35 113.36 1jfa s TYR 345 Ca 0.46 0.85 -0.12 0.00 -0.52 0.00 0.00 57.07 57.74 1jfa s TYR 345 Cb -0.01 0.44 0.11 0.00 0.38 0.00 0.00 41.96 42.88 1jfa s TYR 345 CO 0.02 -0.52 1.20 -1.25 -1.52 0.00 0.00 175.55 173.48 1jfa s PRO 346 N -1.40 1.68 0.60 -3.49 0.04 -1.26 -4.85 135.00 126.32 1jfa s PRO 346 Ca -0.06 -0.04 -0.19 0.00 0.04 0.00 0.00 61.00 60.75 1jfa s PRO 346 Cb -0.00 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1jfa s PRO 346 CO 0.05 -1.76 1.23 -1.25 0.04 0.00 0.00 177.00 175.30 1jfa s PRO 347 N -5.62 2.92 0.24 0.56 0.04 -1.26 -4.87 135.00 127.01 1jfa s PRO 347 Ca 0.65 1.88 -0.05 0.00 0.04 0.00 0.00 61.00 63.51 1jfa s PRO 347 Cb -0.09 -1.93 0.41 0.00 0.04 0.00 0.00 34.50 32.93 1jfa s PRO 347 CO 0.50 -1.26 1.76 0.28 0.04 0.00 0.00 177.00 178.31 1jfa h VAL 348 N 0.86 0.75 -0.94 -0.36 2.07 -1.96 -1.36 116.25 115.32 1jfa h VAL 348 Ca -0.51 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 66.92 1jfa h VAL 348 Cb 1.30 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1jfa h VAL 348 CO 0.55 0.10 0.59 0.00 0.02 0.00 0.00 177.57 178.82 1jfa h ALA 349 N 1.49 1.35 -0.66 1.67 0.00 -1.92 0.96 119.26 122.15 1jfa h ALA 349 Ca 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1jfa h ALA 349 Cb 0.51 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1jfa h ALA 349 CO -0.34 0.28 0.25 0.37 0.00 0.00 0.00 179.25 179.81 1jfa h GLN 350 N 1.01 0.99 -0.06 0.00 4.15 -1.61 0.26 115.11 119.85 1jfa h GLN 350 Ca 0.43 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.55 1jfa h GLN 350 Cb 0.30 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1jfa h GLN 350 CO -0.22 0.84 -0.48 -0.07 -1.93 0.00 0.00 178.83 176.98 1jfa h LEU 351 N 0.93 0.16 -0.27 -2.39 3.38 -0.96 -2.08 115.31 114.08 1jfa h LEU 351 Ca 0.22 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1jfa h LEU 351 Cb 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jfa h LEU 351 CO -0.02 0.61 -0.25 0.00 0.09 0.00 0.00 178.44 178.88 1jfa h ALA 352 N 1.39 0.40 0.13 1.53 0.00 -0.32 -3.27 119.26 119.11 1jfa h ALA 352 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1jfa h ALA 352 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jfa h ALA 352 CO 0.07 0.38 -0.06 -0.97 0.00 0.00 0.00 179.25 178.66 1jfa h ASN 353 N 0.38 -0.15 0.00 0.00 -0.00 -0.90 -3.48 115.58 111.44 1jfa h ASN 353 Ca 0.05 -0.23 0.00 0.00 -0.00 0.00 0.00 56.30 56.11 1jfa h ASN 353 Cb 0.81 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.17 1jfa h ASN 353 CO 0.06 0.16 0.00 0.52 -0.00 0.00 0.00 177.43 178.17