#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfs s THR 3 N 0.00 2.75 0.31 0.00 -1.32 -1.26 -4.71 115.64 111.41 1jfs s THR 3 Ca 0.00 -2.05 0.03 0.00 -1.21 0.00 0.00 61.69 58.46 1jfs s THR 3 Cb 0.00 -2.39 0.29 0.00 -1.51 0.00 0.00 72.50 68.89 1jfs s THR 3 CO 0.00 -0.24 1.88 -0.29 -2.21 0.00 0.00 174.62 173.75 1jfs h ILE 4 N 2.61 0.95 -0.33 5.08 2.10 -1.99 -1.48 117.51 124.44 1jfs h ILE 4 Ca -0.44 -0.31 0.01 0.00 1.08 0.00 0.00 64.86 65.19 1jfs h ILE 4 Cb 1.23 -0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 36.90 1jfs h ILE 4 CO 0.55 0.17 0.21 0.11 -1.08 0.00 0.00 178.15 178.11 1jfs h LYS 5 N 0.91 0.42 -0.86 2.19 1.57 -1.95 0.18 116.57 119.04 1jfs h LYS 5 Ca 0.44 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.25 1jfs h LYS 5 Cb 0.45 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1jfs h LYS 5 CO -0.20 0.28 0.56 -0.44 -0.57 0.00 0.00 179.45 179.08 1jfs h ASP 6 N 0.43 0.87 -0.16 0.86 3.32 -1.69 -0.51 116.42 119.54 1jfs h ASP 6 Ca 0.13 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1jfs h ASP 6 Cb -0.03 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1jfs h ASP 6 CO -0.04 0.58 -0.12 0.58 -1.72 0.00 0.00 179.24 178.53 1jfs h VAL 7 N 1.00 1.33 -0.40 -1.35 2.07 -0.66 -2.87 116.25 115.37 1jfs h VAL 7 Ca 0.36 -1.22 0.12 0.00 0.82 0.00 0.00 66.70 66.77 1jfs h VAL 7 Cb 0.13 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1jfs h VAL 7 CO -0.12 0.36 0.36 0.00 0.02 0.00 0.00 177.57 178.19 1jfs h ALA 8 N 0.65 2.18 0.00 1.67 0.00 0.41 -0.17 119.26 124.00 1jfs h ALA 8 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1jfs h ALA 8 Cb 0.62 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1jfs h ALA 8 CO 0.03 -0.56 -0.45 0.87 0.00 0.00 0.00 179.25 179.14 1jfs h LYS 9 N 0.00 0.30 -0.87 0.00 1.57 -0.92 0.55 116.57 117.19 1jfs h LYS 9 Ca 0.19 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1jfs h LYS 9 Cb 0.90 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 1jfs h LYS 9 CO -0.00 1.03 0.50 -0.09 -0.57 0.00 0.00 179.45 180.31 1jfs h ARG 10 N -0.29 1.21 0.00 3.15 9.65 -1.25 -1.29 114.38 125.56 1jfs h ARG 10 Ca -0.06 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.65 1jfs h ARG 10 Cb 1.18 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 1jfs h ARG 10 CO 0.09 0.87 -0.20 0.00 2.80 0.00 0.00 179.97 183.53 1jfs h ALA 11 N 1.27 1.27 -1.66 2.80 0.00 -1.01 -3.46 119.26 118.47 1jfs h ALA 11 Ca 0.31 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1jfs h ALA 11 Cb -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jfs h ALA 11 CO -0.05 0.25 -0.24 0.09 0.00 0.00 0.00 179.25 179.30 1jfs n ASN 12 N -3.73 -3.27 -4.21 0.00 4.13 -0.29 -4.85 115.26 103.04 1jfs n ASN 12 Ca -0.01 -0.06 -0.12 0.00 1.68 0.00 0.00 54.58 56.06 1jfs n ASN 12 Cb 0.31 -2.40 -0.10 0.00 -1.54 0.00 0.00 39.78 36.05 1jfs n ASN 12 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1jfs s VAL 13 N -2.60 0.09 0.66 2.41 -7.23 0.03 -5.04 120.40 108.73 1jfs s VAL 13 Ca 0.05 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 1jfs s VAL 13 Cb -0.02 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1jfs s VAL 13 CO 0.07 -0.05 1.10 -0.94 -0.31 0.00 0.00 175.10 174.96 1jfs s SER 14 N -3.17 5.18 0.48 4.85 1.04 -1.26 -4.28 113.70 116.53 1jfs s SER 14 Ca 0.37 1.93 0.23 0.00 0.48 0.00 0.00 55.95 58.96 1jfs s SER 14 Cb 0.07 -2.54 1.20 0.00 0.10 0.00 0.00 66.02 64.85 1jfs s SER 14 CO 0.11 -1.58 1.98 0.71 0.98 0.00 0.00 173.24 175.44 1jfs h THR 15 N -0.06 0.74 -0.64 2.02 1.35 -1.90 -1.82 112.91 112.59 1jfs h THR 15 Ca -0.46 -0.77 -0.08 0.00 -0.55 0.00 0.00 66.41 64.55 1jfs h THR 15 Cb 1.24 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 69.11 1jfs h THR 15 CO 0.54 0.18 0.09 0.74 -0.25 0.00 0.00 175.52 176.83 1jfs h THR 16 N 0.00 1.26 0.04 6.82 2.02 -1.98 0.94 112.91 122.02 1jfs h THR 16 Ca -0.00 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1jfs h THR 16 Cb 0.46 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1jfs h THR 16 CO 0.02 0.39 -0.02 0.74 0.37 0.00 0.00 175.52 177.02 1jfs h THR 17 N 0.99 1.11 -0.74 3.16 2.02 -1.76 0.48 112.91 118.17 1jfs h THR 17 Ca 0.19 -0.49 0.14 0.00 0.77 0.00 0.00 66.41 67.02 1jfs h THR 17 Cb 0.46 1.43 -0.09 0.00 -1.74 0.00 0.00 68.15 68.21 1jfs h THR 17 CO 0.02 0.12 0.29 0.58 0.37 0.00 0.00 175.52 176.90 1jfs h VAL 18 N -0.27 0.67 0.64 3.16 2.07 -0.96 -0.74 116.25 120.81 1jfs h VAL 18 Ca -0.01 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1jfs h VAL 18 Cb 0.25 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1jfs h VAL 18 CO 0.01 0.08 -0.31 -1.28 0.02 0.00 0.00 177.57 176.09 1jfs h SER 19 N 0.44 -0.73 -0.98 0.57 0.87 -0.49 -1.99 113.55 111.25 1jfs h SER 19 Ca 0.40 0.03 0.38 0.00 -1.23 0.00 0.00 61.79 61.37 1jfs h SER 19 Cb 0.60 0.19 -0.18 0.00 -0.44 0.00 0.00 62.40 62.57 1jfs h SER 19 CO -0.39 -0.51 0.41 1.41 -0.53 0.00 0.00 176.83 177.22 1jfs n HIS 20 N -4.40 1.02 0.07 2.24 -0.00 0.13 0.35 115.22 114.63 1jfs n HIS 20 Ca -0.11 1.16 -0.04 0.00 -0.00 0.00 0.00 57.72 58.73 1jfs n HIS 20 Cb 0.34 -1.48 -0.08 0.00 -0.00 0.00 0.00 29.99 28.77 1jfs n HIS 20 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 176.34 175.95 1jfs h VAL 21 N 0.00 1.26 0.00 1.59 -1.51 -1.14 0.12 116.25 116.57 1jfs h VAL 21 Ca 0.78 -2.87 -0.01 0.00 -1.23 0.00 0.00 66.70 63.36 1jfs h VAL 21 Cb 1.97 2.60 -0.00 0.00 -2.13 0.00 0.00 31.29 33.73 1jfs h VAL 21 CO -0.79 0.72 -0.07 0.40 -1.23 0.00 0.00 177.57 176.60 1jfs h ILE 22 N 0.00 0.19 0.00 7.19 2.04 0.69 -3.26 117.51 124.37 1jfs h ILE 22 Ca -0.06 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1jfs h ILE 22 Cb 1.68 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1jfs h ILE 22 CO 0.10 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.91 1jfs n ASN 23 N -3.22 1.44 -4.21 1.72 5.03 -0.32 -4.98 115.26 110.73 1jfs n ASN 23 Ca 0.00 -1.68 -0.34 0.00 0.87 0.00 0.00 54.58 53.44 1jfs n ASN 23 Cb 0.32 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.04 1jfs n ASN 23 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jfs n LYS 24 N -0.34 -2.62 0.00 3.52 5.02 0.36 -4.79 118.16 119.32 1jfs n LYS 24 Ca 0.00 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.73 1jfs n LYS 24 Cb 0.28 -4.72 0.33 0.00 -0.02 0.00 0.00 35.03 30.90 1jfs n LYS 24 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1jfs n THR 25 N -4.38 0.00 -3.59 -0.18 5.66 -0.86 -4.94 114.28 106.00 1jfs n THR 25 Ca -0.06 -0.14 -0.05 0.00 -3.05 0.00 0.00 64.05 60.74 1jfs n THR 25 Cb 0.56 0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 69.80 1jfs n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jfs s ARG 26 N -2.51 0.36 0.35 1.09 1.70 -1.26 -5.07 118.95 113.62 1jfs s ARG 26 Ca 0.23 -0.08 -0.29 0.00 -0.47 0.00 0.00 55.73 55.13 1jfs s ARG 26 Cb 0.19 0.17 -0.11 0.00 -0.57 0.00 0.00 34.95 34.62 1jfs s ARG 26 CO 0.53 -0.15 1.52 0.34 -1.08 0.00 0.00 175.30 176.46 1jfs n PHE 27 N 0.08 2.94 -3.76 5.89 -0.00 -1.26 -4.74 117.46 116.61 1jfs n PHE 27 Ca -0.02 0.39 -0.14 0.00 -0.00 0.00 0.00 57.45 57.68 1jfs n PHE 27 Cb 0.59 -2.55 -0.15 0.00 -0.00 0.00 0.00 39.48 37.37 1jfs n PHE 27 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1jfs s VAL 28 N -0.78 -0.05 0.26 -2.13 1.01 -1.26 -5.05 120.40 112.40 1jfs s VAL 28 Ca 0.56 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.44 1jfs s VAL 28 Cb -0.48 -0.19 -0.15 0.00 0.00 0.00 0.00 36.38 35.55 1jfs s VAL 28 CO 0.59 0.07 0.82 0.00 0.00 0.00 0.00 175.10 176.58 1jfs n ALA 29 N 4.12 -1.23 0.25 5.51 0.00 -1.26 -4.57 120.51 123.33 1jfs n ALA 29 Ca -0.26 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.41 1jfs n ALA 29 Cb 0.52 -1.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.01 1jfs n ALA 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1jfs h GLU 30 N 1.59 -0.90 -1.22 0.00 4.81 -2.00 0.56 114.58 117.42 1jfs h GLU 30 Ca -0.35 0.06 0.35 0.00 -0.13 0.00 0.00 59.36 59.29 1jfs h GLU 30 Cb 1.38 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 30.88 1jfs h GLU 30 CO 0.59 -0.60 0.82 1.49 -0.73 0.00 0.00 179.01 180.59 1jfs h GLU 31 N -0.93 0.16 0.11 1.92 4.81 -2.00 0.47 114.58 119.13 1jfs h GLU 31 Ca -0.05 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1jfs h GLU 31 Cb 0.83 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1jfs h GLU 31 CO -0.10 0.11 -0.05 1.15 -0.73 0.00 0.00 179.01 179.38 1jfs h THR 32 N 0.17 0.55 -0.92 0.32 2.02 -1.33 -3.02 112.91 110.69 1jfs h THR 32 Ca 0.66 -1.22 0.27 0.00 0.77 0.00 0.00 66.41 66.89 1jfs h THR 32 Cb 2.16 0.99 -0.16 0.00 -1.74 0.00 0.00 68.15 69.40 1jfs h THR 32 CO -0.21 0.17 0.23 -0.09 0.37 0.00 0.00 175.52 175.98 1jfs h ARG 33 N -0.99 0.13 0.34 6.66 2.43 0.21 -0.66 114.38 122.51 1jfs h ARG 33 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1jfs h ARG 33 Cb 0.38 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1jfs h ARG 33 CO 0.02 0.09 -0.27 -0.91 -1.51 0.00 0.00 179.97 177.39 1jfs h ASN 34 N 0.14 -0.71 -0.96 -3.80 -0.26 -0.21 -1.89 115.58 107.89 1jfs h ASN 34 Ca 0.61 0.05 0.30 0.00 -0.56 0.00 0.00 56.30 56.69 1jfs h ASN 34 Cb 1.29 0.22 -0.15 0.00 -1.06 0.00 0.00 38.32 38.62 1jfs h ASN 34 CO -0.74 -0.38 0.38 0.00 -1.06 0.00 0.00 177.43 175.64 1jfs h ALA 35 N -1.40 1.65 0.48 -0.83 0.00 -1.01 0.36 119.26 118.50 1jfs h ALA 35 Ca -0.04 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1jfs h ALA 35 Cb 0.49 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jfs h ALA 35 CO 0.01 -0.59 -0.23 0.28 0.00 0.00 0.00 179.25 178.72 1jfs h VAL 36 N 0.20 0.53 -0.77 0.00 2.07 -1.08 -0.59 116.25 116.61 1jfs h VAL 36 Ca 0.67 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 68.29 1jfs h VAL 36 Cb 1.50 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 1jfs h VAL 36 CO -0.68 0.01 0.34 -0.50 0.02 0.00 0.00 177.57 176.76 1jfs h TRP 37 N -0.67 0.60 0.23 1.57 -0.00 0.43 0.46 115.95 118.56 1jfs h TRP 37 Ca -0.07 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.87 1jfs h TRP 37 Cb 0.51 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.16 29.49 1jfs h TRP 37 CO -0.04 0.11 -0.34 0.00 -0.00 0.00 0.00 178.44 178.18 1jfs h ALA 38 N 1.54 -0.65 -0.12 1.49 0.00 -0.60 0.45 119.26 121.37 1jfs h ALA 38 Ca 0.42 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1jfs h ALA 38 Cb 0.61 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1jfs h ALA 38 CO -0.38 -0.92 -0.28 0.00 0.00 0.00 0.00 179.25 177.68 1jfs h ALA 39 N -0.08 -0.30 -0.91 0.00 0.00 0.22 0.16 119.26 118.35 1jfs h ALA 39 Ca 0.00 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.18 1jfs h ALA 39 Cb 0.62 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1jfs h ALA 39 CO -0.13 -0.75 0.62 0.82 0.00 0.00 0.00 179.25 179.81 1jfs h ILE 40 N -0.36 0.60 0.15 0.00 1.08 0.70 0.82 117.51 120.51 1jfs h ILE 40 Ca 0.10 -0.07 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1jfs h ILE 40 Cb 0.50 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1jfs h ILE 40 CO -0.32 0.04 -0.07 0.11 -0.69 0.00 0.00 178.15 177.22 1jfs h LYS 41 N 0.22 -0.20 0.45 2.37 6.56 0.26 -1.97 116.57 124.25 1jfs h LYS 41 Ca 0.46 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 60.05 1jfs h LYS 41 Cb 1.45 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 33.14 1jfs h LYS 41 CO -0.11 0.00 -0.31 0.93 -2.06 0.00 0.00 179.45 177.90 1jfs h GLU 42 N -1.03 -0.72 0.00 3.15 5.08 -0.50 -0.16 114.58 120.41 1jfs h GLU 42 Ca -0.02 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1jfs h GLU 42 Cb 0.29 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1jfs h GLU 42 CO 0.03 -0.48 0.17 1.28 -1.00 0.00 0.00 179.01 179.02 1jfs n LEU 43 N -5.44 0.39 -3.58 1.33 7.99 0.23 -4.78 117.00 113.14 1jfs n LEU 43 Ca -0.11 0.62 -0.25 0.00 -0.01 0.00 0.00 56.01 56.26 1jfs n LEU 43 Cb 0.34 -0.61 0.05 0.00 -0.11 0.00 0.00 43.42 43.08 1jfs n LEU 43 CO 0.32 -0.75 -0.05 1.41 -1.51 0.00 0.00 177.39 176.81 1jfs n HIS 44 N -2.07 -2.05 -2.96 -1.77 8.25 -0.07 -4.33 115.22 110.22 1jfs n HIS 44 Ca -0.01 0.63 -0.33 0.00 -0.26 0.00 0.00 57.72 57.75 1jfs n HIS 44 Cb 0.20 -3.79 -0.06 0.00 1.12 0.00 0.00 29.99 27.45 1jfs n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jfs s TYR 45 N -3.49 3.35 -0.21 4.41 6.14 -0.76 -4.81 117.35 121.97 1jfs s TYR 45 Ca 0.38 1.40 -0.04 0.00 0.64 0.00 0.00 57.07 59.45 1jfs s TYR 45 Cb -0.11 -2.68 0.09 0.00 0.42 0.00 0.00 41.96 39.68 1jfs s TYR 45 CO 0.82 -0.02 0.20 0.45 0.64 0.00 0.00 175.55 177.64 1jfs s SER 46 N -2.29 1.72 0.16 4.32 0.15 -1.26 -4.97 113.70 111.53 1jfs s SER 46 Ca 0.58 -0.42 -0.32 0.00 0.70 0.00 0.00 55.95 56.48 1jfs s SER 46 Cb -0.10 0.24 -0.12 0.00 -1.71 0.00 0.00 66.02 64.34 1jfs s SER 46 CO 0.16 -0.35 1.72 -2.65 1.20 0.00 0.00 173.24 173.33 1jfs n PRO 47 N 5.31 2.59 -2.35 5.44 -0.02 -1.26 -4.90 135.00 139.80 1jfs n PRO 47 Ca -0.05 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 1jfs n PRO 47 Cb 0.49 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 1jfs n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jfs s SER 48 N 1.63 6.94 0.45 2.55 0.15 -1.26 -4.86 113.70 119.29 1jfs s SER 48 Ca 0.79 1.88 0.28 0.00 0.70 0.00 0.00 55.95 59.59 1jfs s SER 48 Cb -0.55 -2.55 0.87 0.00 -1.71 0.00 0.00 66.02 62.07 1jfs s SER 48 CO 0.36 -0.70 1.79 0.00 1.20 0.00 0.00 173.24 175.89 1jfs h ALA 49 N 7.97 1.00 -0.14 5.45 0.00 -1.99 -2.65 119.26 128.91 1jfs h ALA 49 Ca -0.33 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1jfs h ALA 49 Cb 1.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jfs h ALA 49 CO 0.92 0.00 -0.64 0.28 0.00 0.00 0.00 179.25 179.81 1jfs h VAL 50 N 0.00 1.34 0.48 0.00 2.07 -1.98 0.44 116.25 118.59 1jfs h VAL 50 Ca 0.00 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.54 1jfs h VAL 50 Cb 0.72 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1jfs h VAL 50 CO 0.00 0.60 -0.23 0.00 0.02 0.00 0.00 177.57 177.96 1jfs h ALA 51 N 0.92 -1.14 -0.76 1.67 0.00 -1.90 -2.25 119.26 115.80 1jfs h ALA 51 Ca -0.01 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 54.93 1jfs h ALA 51 Cb 1.21 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 1jfs h ALA 51 CO 0.12 -1.09 0.02 -0.09 0.00 0.00 0.00 179.25 178.21 1jfs h ARG 52 N -0.66 0.11 -0.12 0.00 2.43 -1.42 0.17 114.38 114.90 1jfs h ARG 52 Ca -0.07 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1jfs h ARG 52 Cb 0.49 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1jfs h ARG 52 CO 0.11 0.07 0.08 0.77 -1.51 0.00 0.00 179.97 179.49 1jfs h SER 53 N 0.11 0.06 -0.15 -3.80 0.02 -0.00 -1.25 113.55 108.54 1jfs h SER 53 Ca 0.42 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 1jfs h SER 53 Cb 0.75 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1jfs h SER 53 CO -0.66 0.04 0.01 0.25 -1.14 0.00 0.00 176.83 175.33 1jfs h LEU 54 N 0.06 0.26 0.33 5.07 6.46 -0.04 -2.38 115.31 125.06 1jfs h LEU 54 Ca 0.05 -0.30 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 1jfs h LEU 54 Cb 0.13 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1jfs h LEU 54 CO -0.01 0.49 -0.16 0.11 -0.62 0.00 0.00 178.44 178.26 1jfs h LYS 55 N 0.01 -0.43 0.00 1.25 1.79 -1.17 -3.36 116.57 114.67 1jfs h LYS 55 Ca 0.04 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1jfs h LYS 55 Cb 0.36 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1jfs h LYS 55 CO 0.01 -0.28 0.00 1.33 -1.08 0.00 0.00 179.45 179.42 1jfs n VAL 56 N -4.35 1.12 -3.20 0.50 0.24 -0.53 -4.94 118.33 107.17 1jfs n VAL 56 Ca -0.05 0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 62.59 1jfs n VAL 56 Cb 0.17 -1.45 0.05 0.00 -1.47 0.00 0.00 33.84 31.15 1jfs n VAL 56 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1jfs n ASN 57 N -2.06 -4.81 -3.64 -1.34 5.15 -0.90 -5.03 115.26 102.63 1jfs n ASN 57 Ca 0.00 -0.34 -0.07 0.00 -0.60 0.00 0.00 54.58 53.57 1jfs n ASN 57 Cb 0.10 -3.40 -0.07 0.00 -0.53 0.00 0.00 39.78 35.89 1jfs n ASN 57 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1jfs s HIS 58 N -3.20 -0.43 -0.65 1.20 -3.43 -1.22 -5.05 115.29 102.51 1jfs s HIS 58 Ca 0.38 1.02 0.23 0.00 -0.80 0.00 0.00 55.06 55.88 1jfs s HIS 58 Cb -0.17 0.37 0.05 0.00 -1.43 0.00 0.00 32.58 31.41 1jfs s HIS 58 CO 0.47 -0.21 1.03 0.25 -2.00 0.00 0.00 174.74 174.28 1jfs n THR 59 N 2.36 0.15 -3.73 -5.38 -2.24 -1.26 -4.47 114.28 99.71 1jfs n THR 59 Ca -0.13 -0.22 -0.22 0.00 -2.27 0.00 0.00 64.05 61.20 1jfs n THR 59 Cb 0.56 0.25 0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1jfs n THR 59 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1jfs n LYS 60 N -1.92 -5.04 -3.97 -0.78 3.00 -1.26 -4.95 118.16 103.25 1jfs n LYS 60 Ca 0.02 0.62 -0.09 0.00 -0.00 0.00 0.00 58.31 58.86 1jfs n LYS 60 Cb 0.43 -5.23 -0.11 0.00 0.00 0.00 0.00 35.03 30.12 1jfs n LYS 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1jfs s SER 61 N -4.21 0.21 0.03 3.14 1.04 -1.26 -2.74 113.70 109.91 1jfs s SER 61 Ca 0.10 -0.47 0.07 0.00 0.48 0.00 0.00 55.95 56.12 1jfs s SER 61 Cb -0.05 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 1jfs s SER 61 CO 0.81 -0.32 -0.20 -0.63 0.98 0.00 0.00 173.24 173.88 1jfs s ILE 62 N -1.55 1.56 -0.19 -1.02 1.09 0.13 -2.43 121.20 118.80 1jfs s ILE 62 Ca -0.15 -1.08 -0.01 0.00 -1.10 0.00 0.00 60.65 58.31 1jfs s ILE 62 Cb -0.09 -1.35 0.01 0.00 -1.06 0.00 0.00 42.46 39.97 1jfs s ILE 62 CO -0.01 0.24 -0.14 -0.83 -0.10 0.00 0.00 174.94 174.10 1jfs s GLY 63 N -0.99 1.48 -0.31 6.18 0.00 -0.90 -0.11 107.32 112.66 1jfs s GLY 63 Ca 0.07 -1.18 -0.09 0.00 0.00 0.00 0.00 44.72 43.52 1jfs s GLY 63 CO 0.01 0.30 0.15 -2.27 0.00 0.00 0.00 173.10 171.28 1jfs s LEU 64 N 1.29 4.11 -0.82 0.66 2.96 -0.73 0.27 118.68 126.42 1jfs s LEU 64 Ca 0.04 -0.58 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 1jfs s LEU 64 Cb -0.14 -1.99 0.22 0.00 0.50 0.00 0.00 46.19 44.78 1jfs s LEU 64 CO -0.08 -0.21 0.75 -0.22 -1.32 0.00 0.00 176.35 175.28 1jfs s LEU 65 N 1.59 6.70 0.00 -0.68 2.96 0.14 -0.87 118.68 128.53 1jfs s LEU 65 Ca 0.04 -2.70 -0.03 0.00 -0.22 0.00 0.00 54.13 51.22 1jfs s LEU 65 Cb -0.17 -2.20 0.05 0.00 0.50 0.00 0.00 46.19 44.37 1jfs s LEU 65 CO 0.06 -0.56 0.29 0.00 -1.32 0.00 0.00 176.35 174.81 1jfs n ALA 66 N 3.95 -0.26 -0.08 5.97 0.00 0.16 -1.04 120.51 129.21 1jfs n ALA 66 Ca 0.13 -0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 1jfs n ALA 66 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1jfs n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jfs n THR 67 N -2.26 0.91 -3.64 0.00 -1.04 -1.00 -2.25 114.28 105.00 1jfs n THR 67 Ca 0.04 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.05 61.63 1jfs n THR 67 Cb 0.13 -1.51 -0.08 0.00 -1.82 0.00 0.00 70.33 67.05 1jfs n THR 67 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1jfs s SER 68 N -6.19 -0.57 -0.01 8.00 0.15 -1.26 -1.83 113.70 111.99 1jfs s SER 68 Ca -0.23 0.90 0.21 0.00 0.70 0.00 0.00 55.95 57.53 1jfs s SER 68 Cb 0.08 0.89 -0.24 0.00 -1.71 0.00 0.00 66.02 65.04 1jfs s SER 68 CO 0.32 -0.35 0.81 -1.54 1.20 0.00 0.00 173.24 173.67 1jfs n SER 69 N 2.03 0.83 -0.06 5.45 3.41 -1.26 -4.65 113.62 119.38 1jfs n SER 69 Ca -0.16 -0.82 -0.12 0.00 -0.26 0.00 0.00 58.87 57.51 1jfs n SER 69 Cb 0.56 1.17 -0.10 0.00 -0.26 0.00 0.00 64.21 65.57 1jfs n SER 69 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1jfs h GLU 70 N 0.00 -0.01 -6.01 4.33 4.22 -1.97 -3.33 114.58 111.80 1jfs h GLU 70 Ca 0.00 0.00 -0.84 0.00 0.08 0.00 0.00 59.36 58.60 1jfs h GLU 70 Cb 0.57 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.84 1jfs h GLU 70 CO 0.00 0.77 0.54 0.00 -2.18 0.00 0.00 179.01 178.14 1jfs n ALA 71 N -2.62 -1.86 -0.35 2.92 0.00 -1.26 -4.50 120.51 112.85 1jfs n ALA 71 Ca -0.08 0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.93 1jfs n ALA 71 Cb 0.38 -1.90 0.13 0.00 0.00 0.00 0.00 19.45 18.06 1jfs n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jfs n ALA 72 N 3.43 0.21 0.06 0.00 0.00 -1.26 0.37 120.51 123.32 1jfs n ALA 72 Ca 0.28 1.07 -0.10 0.00 0.00 0.00 0.00 53.44 54.69 1jfs n ALA 72 Cb -0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 1jfs n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1jfs h TYR 73 N 0.00 -0.89 -0.12 0.00 5.03 -1.98 -1.58 116.97 117.44 1jfs h TYR 73 Ca 0.46 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.84 1jfs h TYR 73 Cb 0.70 0.38 -0.05 0.00 1.55 0.00 0.00 36.73 39.31 1jfs h TYR 73 CO -0.76 -0.35 -0.23 0.74 -1.32 0.00 0.00 178.16 176.24 1jfs h PHE 74 N -0.44 -0.62 -1.02 -3.82 0.05 -1.51 -1.72 116.94 107.87 1jfs h PHE 74 Ca -0.00 0.03 0.25 0.00 3.82 0.00 0.00 57.97 62.07 1jfs h PHE 74 Cb 0.44 0.29 -0.09 0.00 2.00 0.00 0.00 35.95 38.59 1jfs h PHE 74 CO -0.39 -0.31 0.66 0.00 -0.18 0.00 0.00 178.31 178.09 1jfs h ALA 75 N 0.65 2.21 -0.22 2.45 0.00 0.18 -2.17 119.26 122.35 1jfs h ALA 75 Ca 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1jfs h ALA 75 Cb 0.44 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jfs h ALA 75 CO -0.29 -0.59 -0.03 0.93 0.00 0.00 0.00 179.25 179.27 1jfs h GLU 76 N 0.41 0.42 0.63 0.00 5.08 -0.34 -2.34 114.58 118.44 1jfs h GLU 76 Ca 0.57 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 1jfs h GLU 76 Cb 1.43 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1jfs h GLU 76 CO -0.28 0.63 -0.30 0.82 -1.00 0.00 0.00 179.01 178.88 1jfs h ILE 77 N 0.16 0.37 -0.58 3.13 2.04 -1.32 -2.89 117.51 118.43 1jfs h ILE 77 Ca 0.06 -0.07 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1jfs h ILE 77 Cb 0.46 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1jfs h ILE 77 CO 0.02 0.01 0.05 0.40 0.00 0.00 0.00 178.15 178.63 1jfs h ILE 78 N -0.89 0.58 -0.11 -0.67 2.04 -1.52 0.46 117.51 117.41 1jfs h ILE 78 Ca -0.09 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1jfs h ILE 78 Cb 0.66 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1jfs h ILE 78 CO 0.14 0.03 0.13 -0.08 0.00 0.00 0.00 178.15 178.37 1jfs h GLU 79 N 0.17 0.00 0.00 2.37 4.81 -1.30 0.15 114.58 120.77 1jfs h GLU 79 Ca 0.30 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1jfs h GLU 79 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1jfs h GLU 79 CO -0.45 0.00 -0.00 0.00 -0.73 0.00 0.00 179.01 177.83 1jfs h ALA 80 N 1.84 -0.00 -0.52 2.92 0.00 0.03 -2.15 119.26 121.38 1jfs h ALA 80 Ca 0.05 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.62 1jfs h ALA 80 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1jfs h ALA 80 CO -0.00 -0.06 0.10 0.28 0.00 0.00 0.00 179.25 179.57 1jfs h VAL 81 N -0.88 0.70 -0.71 0.00 2.07 -0.24 0.96 116.25 118.15 1jfs h VAL 81 Ca -0.00 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1jfs h VAL 81 Cb 0.86 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1jfs h VAL 81 CO 0.00 0.04 0.44 -0.08 0.02 0.00 0.00 177.57 178.00 1jfs h GLU 82 N 0.24 0.84 -0.57 1.57 4.22 -0.76 -1.85 114.58 118.26 1jfs h GLU 82 Ca 0.26 -0.05 0.12 0.00 0.08 0.00 0.00 59.36 59.77 1jfs h GLU 82 Cb 0.36 -0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.32 1jfs h GLU 82 CO -0.34 0.55 -0.10 0.87 -2.18 0.00 0.00 179.01 177.81 1jfs h LYS 83 N 0.86 0.03 -0.16 1.92 1.57 -0.15 -1.03 116.57 119.62 1jfs h LYS 83 Ca 0.29 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1jfs h LYS 83 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1jfs h LYS 83 CO -0.12 0.02 0.09 -0.91 -0.57 0.00 0.00 179.45 177.96 1jfs h ASN 84 N 0.03 0.20 -0.25 0.86 2.35 -0.51 -1.84 115.58 116.42 1jfs h ASN 84 Ca 0.28 -0.08 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 1jfs h ASN 84 Cb 0.44 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1jfs h ASN 84 CO -0.56 0.22 -0.06 0.00 -1.65 0.00 0.00 177.43 175.38 1jfs h PHE 86 N 0.01 -0.36 0.00 0.00 3.04 -1.05 0.13 116.94 118.71 1jfs h PHE 86 Ca 0.12 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1jfs h PHE 86 Cb 0.18 0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1jfs h PHE 86 CO -0.25 -0.21 0.00 0.00 -2.02 0.00 0.00 178.31 175.83 1jfs n GLN 87 N -5.26 0.19 -0.45 1.11 -0.00 -0.71 -2.12 117.38 110.14 1jfs n GLN 87 Ca -0.07 0.50 0.08 0.00 -0.00 0.00 0.00 57.00 57.50 1jfs n GLN 87 Cb 0.18 -1.92 0.26 0.00 -0.00 0.00 0.00 30.24 28.77 1jfs n GLN 87 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jfs n LYS 88 N -2.28 3.23 0.00 2.61 4.01 0.02 -4.96 118.16 120.79 1jfs n LYS 88 Ca 0.01 -2.71 0.00 0.00 -0.51 0.00 0.00 58.31 55.10 1jfs n LYS 88 Cb 0.17 -1.77 0.00 0.00 -0.51 0.00 0.00 35.03 32.93 1jfs n LYS 88 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jfs n GLY 89 N 0.05 3.02 3.74 0.72 0.00 -0.80 -5.01 105.19 106.93 1jfs n GLY 89 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1jfs n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jfs s TYR 90 N -1.87 2.34 -0.10 1.61 4.12 0.38 -4.92 117.35 118.90 1jfs s TYR 90 Ca 0.00 1.61 0.02 0.00 0.02 0.00 0.00 57.07 58.71 1jfs s TYR 90 Cb 0.00 -3.17 -0.02 0.00 -1.52 0.00 0.00 41.96 37.25 1jfs s TYR 90 CO 0.00 -2.06 -0.14 -0.08 0.02 0.00 0.00 175.55 173.28 1jfs s THR 91 N -2.65 2.98 -0.17 -0.71 -1.32 -1.11 -3.67 115.64 108.99 1jfs s THR 91 Ca 0.65 -0.71 -0.08 0.00 -1.21 0.00 0.00 61.69 60.34 1jfs s THR 91 Cb -0.20 -2.21 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 1jfs s THR 91 CO 0.52 0.55 0.10 -0.22 -2.21 0.00 0.00 174.62 173.36 1jfs s LEU 92 N -0.04 4.05 -0.34 9.08 0.20 -1.26 0.23 118.68 130.61 1jfs s LEU 92 Ca -0.03 0.21 -0.06 0.00 0.69 0.00 0.00 54.13 54.94 1jfs s LEU 92 Cb -0.14 -2.02 0.04 0.00 -0.43 0.00 0.00 46.19 43.64 1jfs s LEU 92 CO 0.04 0.24 0.09 -0.63 -0.29 0.00 0.00 176.35 175.80 1jfs s ILE 93 N 0.01 3.64 -0.17 6.68 1.01 0.84 -4.95 121.20 128.25 1jfs s ILE 93 Ca 0.08 -1.21 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 1jfs s ILE 93 Cb -0.12 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1jfs s ILE 93 CO 0.00 -0.19 0.62 -0.22 0.00 0.00 0.00 174.94 175.16 1jfs s LEU 94 N 1.37 4.18 -0.06 2.97 2.96 -1.26 -1.78 118.68 127.05 1jfs s LEU 94 Ca -0.02 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1jfs s LEU 94 Cb -0.20 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.61 1jfs s LEU 94 CO 0.02 -0.23 -0.11 -0.83 -1.32 0.00 0.00 176.35 173.89 1jfs s GLY 95 N 1.09 0.74 -0.27 7.98 0.00 -0.04 -4.99 107.32 111.82 1jfs s GLY 95 Ca 0.30 -0.36 -0.05 0.00 0.00 0.00 0.00 44.72 44.60 1jfs s GLY 95 CO 0.11 0.21 0.03 -1.31 0.00 0.00 0.00 173.10 172.15 1jfs s ASN 96 N 0.77 4.82 0.14 1.64 0.02 -1.26 0.39 114.94 121.45 1jfs s ASN 96 Ca -0.13 -0.62 0.24 0.00 -1.02 0.00 0.00 52.86 51.33 1jfs s ASN 96 Cb -0.15 -1.82 0.38 0.00 0.02 0.00 0.00 41.25 39.68 1jfs s ASN 96 CO 0.02 -0.13 1.36 0.00 0.02 0.00 0.00 177.10 178.37 1jfs h ALA 97 N 8.17 0.63 -3.59 0.60 0.00 -1.56 -3.48 119.26 120.03 1jfs h ALA 97 Ca -0.34 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.22 1jfs h ALA 97 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1jfs h ALA 97 CO 0.59 0.00 -0.45 0.91 0.00 0.00 0.00 179.25 180.30 1jfs n TRP 98 N -2.17 -1.30 -2.31 0.00 7.02 -0.76 0.34 117.44 118.26 1jfs n TRP 98 Ca 0.03 0.07 -0.19 0.00 -1.02 0.00 0.00 57.50 56.39 1jfs n TRP 98 Cb 0.44 -3.46 -0.01 0.00 -2.42 0.00 0.00 31.31 25.86 1jfs n TRP 98 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1jfs n ASN 99 N -1.98 -5.56 -4.40 -0.99 4.05 -1.26 -4.95 115.26 100.17 1jfs n ASN 99 Ca -0.18 0.02 -0.38 0.00 0.45 0.00 0.00 54.58 54.49 1jfs n ASN 99 Cb 0.64 -4.61 -0.12 0.00 1.23 0.00 0.00 39.78 36.92 1jfs n ASN 99 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1jfs s ASN 100 N -2.17 5.28 0.14 1.20 2.47 0.15 -5.00 114.94 117.01 1jfs s ASN 100 Ca 0.00 -0.53 -0.29 0.00 0.42 0.00 0.00 52.86 52.46 1jfs s ASN 100 Cb 0.00 -1.94 -0.05 0.00 -1.45 0.00 0.00 41.25 37.81 1jfs s ASN 100 CO 0.00 -0.16 1.58 0.25 -3.72 0.00 0.00 177.10 175.05 1jfs h LEU 101 N 8.28 -1.41 0.26 3.21 5.85 -1.92 0.43 115.31 130.01 1jfs h LEU 101 Ca -0.33 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1jfs h LEU 101 Cb 1.14 0.58 -0.04 0.00 0.37 0.00 0.00 40.66 42.72 1jfs h LEU 101 CO 0.60 -0.42 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.50 1jfs h GLU 102 N -0.45 -0.76 -1.04 1.25 4.39 -1.95 0.36 114.58 116.38 1jfs h GLU 102 Ca 0.09 0.05 0.26 0.00 0.34 0.00 0.00 59.36 60.10 1jfs h GLU 102 Cb 0.62 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.35 1jfs h GLU 102 CO -0.46 -0.50 0.66 -0.22 -1.16 0.00 0.00 179.01 177.33 1jfs h LYS 103 N -0.79 0.40 0.40 2.33 3.64 -1.78 0.30 116.57 121.08 1jfs h LYS 103 Ca -0.01 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1jfs h LYS 103 Cb 0.75 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1jfs h LYS 103 CO -0.17 0.26 -0.19 1.96 -2.27 0.00 0.00 179.45 179.04 1jfs h GLN 104 N 0.41 -0.52 -0.95 1.90 4.20 0.17 -1.59 115.11 118.73 1jfs h GLN 104 Ca 0.60 0.04 0.28 0.00 0.06 0.00 0.00 58.65 59.62 1jfs h GLN 104 Cb 1.48 0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.34 1jfs h GLN 104 CO -0.31 -0.35 0.77 -0.09 -0.67 0.00 0.00 178.83 178.19 1jfs h ARG 105 N -0.77 0.00 0.12 1.46 2.43 0.11 0.17 114.38 117.89 1jfs h ARG 105 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1jfs h ARG 105 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1jfs h ARG 105 CO 0.09 0.00 -0.06 0.00 -1.51 0.00 0.00 179.97 178.50 1jfs h ALA 106 N 1.35 -0.15 -0.55 2.80 0.00 -0.28 -2.10 119.26 120.32 1jfs h ALA 106 Ca 0.45 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1jfs h ALA 106 Cb 1.99 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1jfs h ALA 106 CO -0.00 -0.27 0.08 1.88 0.00 0.00 0.00 179.25 180.94 1jfs h TYR 107 N -0.78 0.92 -0.26 0.00 0.05 -0.18 -0.94 116.97 115.77 1jfs h TYR 107 Ca -0.02 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.68 1jfs h TYR 107 Cb 0.56 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 1jfs h TYR 107 CO 0.10 0.79 0.12 1.25 -1.05 0.00 0.00 178.16 179.37 1jfs h LEU 108 N 0.83 0.17 -0.55 3.88 5.85 -0.77 -1.92 115.31 122.81 1jfs h LEU 108 Ca 0.17 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1jfs h LEU 108 Cb 0.38 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1jfs h LEU 108 CO 0.01 0.13 0.15 0.77 -0.34 0.00 0.00 178.44 179.16 1jfs h SER 109 N 0.26 0.81 -0.97 1.25 4.64 -0.84 -2.49 113.55 116.21 1jfs h SER 109 Ca 0.11 -0.22 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 1jfs h SER 109 Cb 0.04 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.87 1jfs h SER 109 CO -0.09 0.82 0.64 0.24 -0.87 0.00 0.00 176.83 177.57 1jfs h MET 110 N 0.77 1.21 -0.41 4.77 2.86 -0.92 -1.58 114.93 121.63 1jfs h MET 110 Ca 0.17 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1jfs h MET 110 Cb 0.31 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1jfs h MET 110 CO -0.00 0.80 0.09 0.52 1.06 0.00 0.00 176.91 179.38 1jfs h MET 111 N 1.24 0.65 -0.01 1.72 2.07 -1.08 0.31 114.93 119.84 1jfs h MET 111 Ca 0.38 -0.16 0.02 0.00 -2.07 0.00 0.00 59.70 57.87 1jfs h MET 111 Cb -0.02 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.60 1jfs h MET 111 CO -0.11 0.68 -0.12 0.00 1.07 0.00 0.00 176.91 178.43 1jfs h ALA 112 N 0.95 -0.13 -0.67 6.32 0.00 -1.13 0.37 119.26 124.96 1jfs h ALA 112 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1jfs h ALA 112 Cb 0.33 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1jfs h ALA 112 CO 0.00 -0.61 0.41 1.96 0.00 0.00 0.00 179.25 181.02 1jfs h GLN 113 N -0.20 0.78 0.00 0.00 4.20 -1.05 0.44 115.11 119.29 1jfs h GLN 113 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jfs h GLN 113 Cb 0.26 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1jfs h GLN 113 CO -0.13 0.52 0.00 1.63 -0.67 0.00 0.00 178.83 180.18 1jfs n LYS 114 N -4.70 0.40 -3.33 1.46 4.76 0.11 -4.89 118.16 111.97 1jfs n LYS 114 Ca 0.07 0.06 -0.18 0.00 -2.87 0.00 0.00 58.31 55.39 1jfs n LYS 114 Cb 0.10 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.80 1jfs n LYS 114 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jfs n ARG 115 N -1.13 -1.76 -3.17 1.97 5.12 0.16 -4.95 116.66 112.89 1jfs n ARG 115 Ca 0.11 1.41 -0.39 0.00 -1.93 0.00 0.00 57.85 57.04 1jfs n ARG 115 Cb 0.09 -3.87 -0.06 0.00 -1.16 0.00 0.00 32.46 27.46 1jfs n ARG 115 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1jfs s VAL 116 N -2.55 4.84 0.50 1.55 -7.23 -1.15 -4.32 120.40 112.05 1jfs s VAL 116 Ca 0.15 1.32 0.23 0.00 -1.81 0.00 0.00 61.98 61.87 1jfs s VAL 116 Cb -0.02 -3.97 0.39 0.00 0.56 0.00 0.00 36.38 33.34 1jfs s VAL 116 CO 0.83 0.43 1.97 0.44 -0.31 0.00 0.00 175.10 178.45 1jfs h ASP 117 N 5.49 0.11 -5.01 4.85 3.32 -1.85 -3.45 116.42 119.89 1jfs h ASP 117 Ca -0.45 0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.66 1jfs h ASP 117 Cb 1.20 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.65 1jfs h ASP 117 CO 0.69 0.06 0.29 -0.83 -1.72 0.00 0.00 179.24 177.73 1jfs s GLY 118 N -3.95 -0.34 -0.04 2.75 0.00 -1.26 -4.20 107.32 100.28 1jfs s GLY 118 Ca -0.06 0.20 0.06 0.00 0.00 0.00 0.00 44.72 44.92 1jfs s GLY 118 CO 0.74 0.06 -0.23 1.08 0.00 0.00 0.00 173.10 174.76 1jfs s LEU 119 N -2.81 2.02 -0.26 0.66 1.43 0.13 -2.12 118.68 117.73 1jfs s LEU 119 Ca 0.07 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1jfs s LEU 119 Cb -0.03 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1jfs s LEU 119 CO -0.03 0.24 -0.01 -0.76 0.23 0.00 0.00 176.35 176.02 1jfs s LEU 120 N -0.25 3.42 -0.11 1.79 1.02 0.14 -1.38 118.68 123.30 1jfs s LEU 120 Ca 0.01 -0.79 -0.05 0.00 0.02 0.00 0.00 54.13 53.32 1jfs s LEU 120 Cb -0.12 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 1jfs s LEU 120 CO 0.02 -0.15 0.06 -0.69 0.02 0.00 0.00 176.35 175.61 1jfs s VAL 121 N 1.39 4.80 -0.42 -1.59 1.01 -0.87 0.26 120.40 124.98 1jfs s VAL 121 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1jfs s VAL 121 Cb -0.17 -3.07 0.28 0.00 0.00 0.00 0.00 36.38 33.42 1jfs s VAL 121 CO -0.02 0.59 0.74 0.23 0.00 0.00 0.00 175.10 176.64 1jfs n MET 122 N 2.34 0.83 0.00 2.72 2.81 -0.21 -1.48 117.12 124.13 1jfs n MET 122 Ca -0.19 -2.68 0.13 0.00 -1.81 0.00 0.00 57.70 53.15 1jfs n MET 122 Cb 0.54 -1.36 0.44 0.00 -0.71 0.00 0.00 33.22 32.14 1jfs n MET 122 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jfs n SER 124 N -0.74 0.00 -4.88 0.00 7.64 -1.26 -4.74 113.62 109.63 1jfs n SER 124 Ca 0.13 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.67 1jfs n SER 124 Cb 0.33 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1jfs n SER 124 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jfs s GLU 125 N 0.00 3.70 -0.51 1.43 2.02 -1.26 -4.62 118.70 119.46 1jfs s GLU 125 Ca 0.00 0.08 0.08 0.00 0.02 0.00 0.00 54.97 55.14 1jfs s GLU 125 Cb 0.00 -2.96 0.32 0.00 0.10 0.00 0.00 34.13 31.59 1jfs s GLU 125 CO 0.00 0.54 0.81 0.66 0.02 0.00 0.00 175.26 177.28 1jfs n TYR 126 N 0.68 2.35 -1.23 1.61 4.02 -1.26 -5.06 117.16 118.27 1jfs n TYR 126 Ca -0.07 -3.92 -0.33 0.00 -0.01 0.00 0.00 57.90 53.57 1jfs n TYR 126 Cb 0.52 -0.46 0.11 0.00 -0.02 0.00 0.00 39.34 39.49 1jfs n TYR 126 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1jfs s PRO 127 N -2.76 1.85 0.20 -0.72 0.04 -1.26 -4.65 135.00 127.71 1jfs s PRO 127 Ca 0.43 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1jfs s PRO 127 Cb 0.27 -1.81 0.22 0.00 0.04 0.00 0.00 34.50 33.22 1jfs s PRO 127 CO -0.10 -2.04 1.65 0.93 0.04 0.00 0.00 177.00 177.48 1jfs h GLU 128 N -0.75 0.03 -0.58 4.56 4.39 -1.99 0.13 114.58 120.37 1jfs h GLU 128 Ca -0.46 -0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.40 1jfs h GLU 128 Cb 1.29 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 1jfs h GLU 128 CO 0.48 0.02 0.74 -1.35 -1.16 0.00 0.00 179.01 177.74 1jfs h PRO 129 N 0.03 0.00 0.07 2.33 0.11 -1.99 0.59 132.00 133.14 1jfs h PRO 129 Ca 0.28 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.11 1jfs h PRO 129 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1jfs h PRO 129 CO -0.56 0.00 -1.53 1.25 -0.21 0.00 0.00 178.00 176.95 1jfs h LEU 130 N 0.00 0.23 -2.16 2.35 7.12 -1.11 -3.14 115.31 118.60 1jfs h LEU 130 Ca 0.27 -0.75 0.06 0.00 0.13 0.00 0.00 57.88 57.60 1jfs h LEU 130 Cb 1.75 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.80 1jfs h LEU 130 CO -0.00 1.64 0.28 -0.07 -0.13 0.00 0.00 178.44 180.16 1jfs h LEU 131 N -0.47 0.00 0.15 2.25 4.07 0.68 0.01 115.31 122.01 1jfs h LEU 131 Ca -0.36 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 1jfs h LEU 131 Cb 1.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.40 1jfs h LEU 131 CO -0.04 0.00 -0.07 0.00 -1.08 0.00 0.00 178.44 177.24 1jfs h ALA 132 N 1.64 -0.21 -0.42 1.53 0.00 -0.13 -2.70 119.26 118.97 1jfs h ALA 132 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jfs h ALA 132 Cb 0.67 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1jfs h ALA 132 CO -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 179.25 179.10 1jfs h MET 133 N -0.99 0.64 -0.94 0.00 -0.00 -1.35 -1.40 114.93 110.89 1jfs h MET 133 Ca -0.02 -0.13 0.07 0.00 -0.00 0.00 0.00 59.70 59.63 1jfs h MET 133 Cb 0.40 -0.10 -0.06 0.00 -0.00 0.00 0.00 31.60 31.84 1jfs h MET 133 CO 0.03 0.61 0.61 -0.07 -0.00 0.00 0.00 176.91 178.10 1jfs h LEU 134 N 0.62 0.94 -0.37 -0.10 3.38 -1.11 -1.09 115.31 117.58 1jfs h LEU 134 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1jfs h LEU 134 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1jfs h LEU 134 CO 0.00 0.59 0.16 -0.08 0.09 0.00 0.00 178.44 179.20 1jfs h GLU 135 N 1.06 0.53 0.00 1.13 4.57 -0.93 -2.20 114.58 118.74 1jfs h GLU 135 Ca 0.42 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1jfs h GLU 135 Cb 0.24 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1jfs h GLU 135 CO -0.17 0.49 0.34 0.39 -1.18 0.00 0.00 179.01 178.89 1jfs n GLU 136 N -4.71 0.06 -0.61 1.92 1.02 -0.42 0.30 120.64 118.21 1jfs n GLU 136 Ca -0.01 0.49 0.02 0.00 -0.02 0.00 0.00 57.16 57.65 1jfs n GLU 136 Cb 0.12 -2.04 0.20 0.00 -0.02 0.00 0.00 31.44 29.70 1jfs n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jfs n TYR 137 N -1.85 0.53 0.27 -0.32 4.02 -0.83 -4.72 117.16 114.26 1jfs n TYR 137 Ca -0.01 -1.44 0.12 0.00 -0.01 0.00 0.00 57.90 56.57 1jfs n TYR 137 Cb 0.36 -0.35 0.65 0.00 -0.02 0.00 0.00 39.34 39.99 1jfs n TYR 137 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1jfs h ARG 138 N 0.95 0.00 -0.43 -0.72 0.11 -0.25 -0.37 114.38 113.67 1jfs h ARG 138 Ca 0.09 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.06 1jfs h ARG 138 Cb 1.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 1jfs h ARG 138 CO 0.18 0.00 -0.17 1.12 0.10 0.00 0.00 179.97 181.20 1jfs h HIS 139 N 0.00 0.99 -3.31 4.08 2.07 -1.84 -3.41 115.15 113.73 1jfs h HIS 139 Ca 0.00 -0.24 -0.53 0.00 -2.85 0.00 0.00 60.37 56.76 1jfs h HIS 139 Cb 0.61 -0.23 0.01 0.00 2.57 0.00 0.00 27.41 30.37 1jfs h HIS 139 CO 0.00 1.01 0.57 0.42 -3.07 0.00 0.00 177.93 176.86 1jfs s ILE 140 N -4.69 3.77 0.12 6.12 1.09 -0.15 -4.94 121.20 122.52 1jfs s ILE 140 Ca -0.12 1.37 -0.31 0.00 -1.10 0.00 0.00 60.65 60.48 1jfs s ILE 140 Cb 0.11 -3.87 -0.09 0.00 -1.06 0.00 0.00 42.46 37.55 1jfs s ILE 140 CO 0.84 0.16 1.52 -2.84 -0.10 0.00 0.00 174.94 174.52 1jfs s PRO 141 N 0.48 4.25 -0.12 2.79 0.02 -1.26 -4.82 135.00 136.33 1jfs s PRO 141 Ca 0.56 2.24 -0.15 0.00 0.02 0.00 0.00 61.00 63.67 1jfs s PRO 141 Cb -0.31 -3.30 0.04 0.00 0.02 0.00 0.00 34.50 30.94 1jfs s PRO 141 CO 0.32 -0.58 0.40 0.00 -0.33 0.00 0.00 177.00 176.82 1jfs s MET 142 N 1.52 0.53 -0.08 5.54 0.23 -1.26 0.22 119.30 126.00 1jfs s MET 142 Ca 0.69 0.42 0.03 0.00 -1.03 0.00 0.00 55.69 55.80 1jfs s MET 142 Cb -0.40 0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.16 1jfs s MET 142 CO 0.31 -0.09 -0.19 0.54 -2.03 0.00 0.00 175.02 173.56 1jfs s VAL 143 N -0.12 1.65 -0.12 5.16 0.11 -0.48 -2.49 120.40 124.11 1jfs s VAL 143 Ca -0.03 -0.78 -0.17 0.00 -2.93 0.00 0.00 61.98 58.07 1jfs s VAL 143 Cb -0.03 -1.45 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1jfs s VAL 143 CO 0.02 0.47 0.42 0.68 -3.33 0.00 0.00 175.10 173.36 1jfs s VAL 144 N 0.46 5.21 -2.65 2.04 -7.23 -0.44 -2.06 120.40 115.73 1jfs s VAL 144 Ca -0.17 0.83 0.25 0.00 -1.81 0.00 0.00 61.98 61.09 1jfs s VAL 144 Cb -0.17 -3.76 0.25 0.00 0.56 0.00 0.00 36.38 33.26 1jfs s VAL 144 CO 0.07 0.36 1.37 0.23 -0.31 0.00 0.00 175.10 176.81 1jfs n MET 145 N 3.54 1.90 -2.25 4.82 0.00 -0.55 -3.64 117.12 120.95 1jfs n MET 145 Ca -0.09 -1.46 -0.06 0.00 0.00 0.00 0.00 57.70 56.09 1jfs n MET 145 Cb 0.52 -1.47 0.05 0.00 0.00 0.00 0.00 33.22 32.32 1jfs n MET 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1jfs n ASP 146 N 0.73 2.48 -4.90 7.83 3.85 -1.26 -4.78 116.55 120.50 1jfs n ASP 146 Ca 0.14 -2.67 -0.29 0.00 -0.71 0.00 0.00 54.79 51.27 1jfs n ASP 146 Cb 0.50 -0.42 -0.03 0.00 -1.35 0.00 0.00 41.12 39.83 1jfs n ASP 146 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 1jfs s PHE 147 N -3.20 3.49 -0.04 2.11 2.99 -1.26 -4.68 117.98 117.38 1jfs s PHE 147 Ca 0.36 0.77 -0.12 0.00 0.00 0.00 0.00 56.93 57.94 1jfs s PHE 147 Cb 0.36 -2.22 -0.07 0.00 0.00 0.00 0.00 43.02 41.09 1jfs s PHE 147 CO -0.04 0.02 0.53 0.78 -0.00 0.00 0.00 175.22 176.52 1jfs h GLY 148 N 1.28 -0.44 0.00 4.36 0.00 -1.96 -3.44 103.07 102.87 1jfs h GLY 148 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1jfs h GLY 148 CO 0.64 -0.16 0.00 -1.84 0.00 0.00 0.00 176.54 175.18 1jfs n GLU 149 N -4.73 0.21 -3.29 4.80 0.00 -1.26 -4.79 120.64 111.59 1jfs n GLU 149 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.85 1jfs n GLU 149 Cb 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.54 1jfs n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jfs n ALA 150 N -3.00 3.37 -0.24 -1.84 0.00 -1.26 -4.86 120.51 112.67 1jfs n ALA 150 Ca 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.27 1jfs n ALA 150 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1jfs n ALA 150 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jfs n LYS 151 N 0.96 0.00 -2.81 0.00 4.01 -1.26 -4.68 118.16 114.38 1jfs n LYS 151 Ca 0.26 0.80 -0.26 0.00 -0.51 0.00 0.00 58.31 58.61 1jfs n LYS 151 Cb 0.47 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 33.73 1jfs n LYS 151 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jfs s ALA 152 N -3.62 3.50 -1.56 7.82 0.00 -1.26 -5.00 121.76 121.64 1jfs s ALA 152 Ca 0.00 -0.70 0.20 0.00 0.00 0.00 0.00 51.96 51.46 1jfs s ALA 152 Cb 0.00 -2.42 0.68 0.00 0.00 0.00 0.00 23.12 21.37 1jfs s ALA 152 CO 0.00 -0.35 1.58 -0.40 0.00 0.00 0.00 175.76 176.58 1jfs n ASP 153 N -2.18 4.31 -0.02 0.00 5.75 -1.26 -4.36 116.55 118.78 1jfs n ASP 153 Ca 0.00 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1jfs n ASP 153 Cb 0.56 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1jfs n ASP 153 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1jfs n PHE 154 N 1.38 0.01 -4.25 2.11 1.16 -1.26 -4.75 117.46 111.85 1jfs n PHE 154 Ca 0.25 -0.14 -0.14 0.00 -1.87 0.00 0.00 57.45 55.55 1jfs n PHE 154 Cb 0.74 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.50 1jfs n PHE 154 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1jfs s THR 155 N -0.30 1.08 0.58 1.97 -4.23 -1.26 -4.78 115.64 108.69 1jfs s THR 155 Ca 0.01 -2.04 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 1jfs s THR 155 Cb 0.00 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1jfs s THR 155 CO 0.01 -0.68 0.93 -1.81 -0.54 0.00 0.00 174.62 172.53 1jfs s ASP 156 N -3.18 6.03 0.24 3.99 1.01 -1.04 -4.57 116.67 119.15 1jfs s ASP 156 Ca 0.18 1.09 0.02 0.00 0.71 0.00 0.00 52.55 54.56 1jfs s ASP 156 Cb 0.03 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.72 1jfs s ASP 156 CO 0.02 -0.87 0.04 0.00 0.21 0.00 0.00 175.17 174.57 1jfs s ALA 157 N -3.02 1.77 -0.15 5.23 0.00 -0.91 -1.33 121.76 123.34 1jfs s ALA 157 Ca 0.53 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 1jfs s ALA 157 Cb -0.11 0.73 0.07 0.00 0.00 0.00 0.00 23.12 23.81 1jfs s ALA 157 CO 0.49 -0.35 0.32 0.54 0.00 0.00 0.00 175.76 176.76 1jfs s VAL 158 N -3.57 -0.42 -0.15 0.00 0.11 -1.24 -1.90 120.40 113.23 1jfs s VAL 158 Ca 0.32 0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.55 1jfs s VAL 158 Cb 0.07 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1jfs s VAL 158 CO 0.11 0.09 0.00 0.27 -3.33 0.00 0.00 175.10 172.24 1jfs s ILE 159 N 2.30 4.26 -0.78 7.04 -4.36 0.94 -4.55 121.20 126.04 1jfs s ILE 159 Ca -0.01 -0.23 0.26 0.00 -0.26 0.00 0.00 60.65 60.40 1jfs s ILE 159 Cb -0.12 -2.87 0.13 0.00 1.25 0.00 0.00 42.46 40.85 1jfs s ILE 159 CO -0.10 0.50 1.54 -0.90 0.24 0.00 0.00 174.94 176.22 1jfs n ASP 160 N 3.31 0.59 -2.41 4.36 3.85 -1.26 -0.47 116.55 124.51 1jfs n ASP 160 Ca -0.17 0.22 -0.18 0.00 -0.71 0.00 0.00 54.79 53.95 1jfs n ASP 160 Cb 0.53 -0.15 0.02 0.00 -1.35 0.00 0.00 41.12 40.16 1jfs n ASP 160 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1jfs n ASN 161 N -1.95 -5.26 -0.33 -1.12 3.02 -1.26 -4.34 115.26 104.03 1jfs n ASN 161 Ca 0.05 -0.20 0.23 0.00 -0.03 0.00 0.00 54.58 54.63 1jfs n ASN 161 Cb 0.40 -4.13 0.47 0.00 -0.61 0.00 0.00 39.78 35.91 1jfs n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jfs h ALA 162 N 0.82 1.94 0.18 5.41 0.00 -1.92 -0.44 119.26 125.23 1jfs h ALA 162 Ca -0.43 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1jfs h ALA 162 Cb 1.30 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1jfs h ALA 162 CO 0.47 -0.56 -0.09 0.35 0.00 0.00 0.00 179.25 179.41 1jfs h PHE 163 N 0.33 -0.24 -0.03 0.00 3.04 -1.84 0.87 116.94 119.08 1jfs h PHE 163 Ca 0.73 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.68 1jfs h PHE 163 Cb 1.65 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 40.24 1jfs h PHE 163 CO -0.01 -0.15 0.07 1.49 -2.02 0.00 0.00 178.31 177.69 1jfs h GLU 164 N -0.25 0.00 0.03 1.11 4.81 -1.40 0.21 114.58 119.10 1jfs h GLU 164 Ca -0.02 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1jfs h GLU 164 Cb 0.19 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.58 1jfs h GLU 164 CO 0.04 0.00 -0.20 0.78 -0.73 0.00 0.00 179.01 178.90 1jfs h GLY 165 N 0.00 0.09 0.46 1.92 0.00 -0.68 -1.44 103.07 103.42 1jfs h GLY 165 Ca 0.02 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.19 1jfs h GLY 165 CO -0.00 0.19 0.03 -1.33 0.00 0.00 0.00 176.54 175.43 1jfs h GLY 166 N -0.82 0.40 0.92 4.60 0.00 0.66 0.17 103.07 109.00 1jfs h GLY 166 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1jfs h GLY 166 CO 0.04 -0.07 0.66 -1.82 0.00 0.00 0.00 176.54 175.35 1jfs h TYR 167 N 0.14 1.24 -0.64 5.60 5.03 0.49 0.74 116.97 129.57 1jfs h TYR 167 Ca 0.18 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 1jfs h TYR 167 Cb 0.24 -0.42 -0.03 0.00 1.55 0.00 0.00 36.73 38.08 1jfs h TYR 167 CO -0.23 0.73 0.21 0.52 -1.32 0.00 0.00 178.16 178.07 1jfs h MET 168 N 1.29 0.99 -0.11 1.82 2.86 0.22 -1.92 114.93 120.10 1jfs h MET 168 Ca 0.39 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1jfs h MET 168 Cb -0.04 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 1jfs h MET 168 CO -0.11 0.87 0.06 0.00 1.06 0.00 0.00 176.91 178.78 1jfs h ALA 169 N 1.08 0.14 0.12 6.32 0.00 0.62 -2.91 119.26 124.62 1jfs h ALA 169 Ca 0.21 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1jfs h ALA 169 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jfs h ALA 169 CO -0.01 -0.32 -0.14 0.78 0.00 0.00 0.00 179.25 179.56 1jfs h GLY 170 N 0.07 -0.27 -0.27 0.00 0.00 -0.82 -2.98 103.07 98.80 1jfs h GLY 170 Ca 0.04 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.63 1jfs h GLY 170 CO -0.01 -0.14 -0.27 3.21 0.00 0.00 0.00 176.54 179.33 1jfs h ARG 171 N -0.30 -0.13 -0.20 4.80 2.47 -1.22 -0.73 114.38 119.07 1jfs h ARG 171 Ca 0.01 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1jfs h ARG 171 Cb 0.29 0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.58 1jfs h ARG 171 CO -0.05 -0.09 -0.50 -0.92 0.56 0.00 0.00 179.97 178.97 1jfs h TYR 172 N -0.14 -1.49 -0.86 3.04 5.03 -1.46 0.28 116.97 121.36 1jfs h TYR 172 Ca 0.23 0.06 0.22 0.00 2.58 0.00 0.00 58.73 61.83 1jfs h TYR 172 Cb 0.51 0.68 -0.14 0.00 1.55 0.00 0.00 36.73 39.34 1jfs h TYR 172 CO -0.56 -0.48 0.24 -0.07 -1.32 0.00 0.00 178.16 175.97 1jfs h LEU 173 N -0.48 0.02 0.81 2.82 3.38 -1.23 -0.16 115.31 120.48 1jfs h LEU 173 Ca 0.04 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 1jfs h LEU 173 Cb 0.59 0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1jfs h LEU 173 CO -0.44 -0.13 -0.39 0.40 0.09 0.00 0.00 178.44 177.97 1jfs h ILE 174 N 0.23 0.00 0.00 1.22 2.04 0.63 -2.64 117.51 118.99 1jfs h ILE 174 Ca 0.53 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1jfs h ILE 174 Cb 1.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1jfs h ILE 174 CO -0.63 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 176.90 1jfs n GLU 175 N -5.27 0.02 -0.01 2.37 1.02 0.73 -0.85 120.64 118.66 1jfs n GLU 175 Ca -0.14 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.10 1jfs n GLU 175 Cb 0.43 -1.29 -0.14 0.00 -0.02 0.00 0.00 31.44 30.42 1jfs n GLU 175 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jfs n ARG 176 N -0.79 0.63 0.00 3.49 5.12 -0.17 -4.94 116.66 120.00 1jfs n ARG 176 Ca 0.00 -0.14 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1jfs n ARG 176 Cb 0.00 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 1jfs n ARG 176 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jfs n GLY 177 N 1.43 0.93 3.82 -0.13 0.00 -0.03 0.41 105.19 111.61 1jfs n GLY 177 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1jfs n GLY 177 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jfs s HIS 178 N -1.45 3.25 0.00 1.61 3.76 -1.09 0.24 115.29 121.61 1jfs s HIS 178 Ca 0.00 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 1jfs s HIS 178 Cb 0.00 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.80 1jfs s HIS 178 CO 0.00 -0.25 0.00 0.54 -0.85 0.00 0.00 174.74 174.18 1jfs n ARG 179 N -0.70 0.00 -3.84 1.40 1.74 -1.26 -4.52 116.66 109.48 1jfs n ARG 179 Ca 0.07 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 1jfs n ARG 179 Cb 0.54 -0.02 -0.14 0.00 -1.02 0.00 0.00 32.46 31.82 1jfs n ARG 179 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1jfs s GLU 180 N 0.00 1.55 0.27 5.56 2.02 -1.26 -4.80 118.70 122.04 1jfs s GLU 180 Ca 0.00 -2.19 0.10 0.00 0.02 0.00 0.00 54.97 52.90 1jfs s GLU 180 Cb 0.00 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 1jfs s GLU 180 CO 0.00 -1.11 -0.03 0.42 0.02 0.00 0.00 175.26 174.56 1jfs s ILE 181 N 0.21 3.26 0.23 -1.63 1.01 -1.26 0.40 121.20 123.41 1jfs s ILE 181 Ca 0.16 -1.99 0.04 0.00 0.00 0.00 0.00 60.65 58.85 1jfs s ILE 181 Cb -0.24 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1jfs s ILE 181 CO -0.02 -0.37 -0.01 -0.83 0.00 0.00 0.00 174.94 173.71 1jfs s GLY 182 N -3.65 1.54 -0.12 6.18 0.00 0.84 -4.83 107.32 107.27 1jfs s GLY 182 Ca 0.31 -1.75 -0.08 0.00 0.00 0.00 0.00 44.72 43.20 1jfs s GLY 182 CO 0.19 -1.66 0.30 0.54 0.00 0.00 0.00 173.10 172.46 1jfs s VAL 183 N -3.41 -0.02 -0.34 1.40 0.11 -0.73 -0.44 120.40 116.96 1jfs s VAL 183 Ca 0.28 0.08 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 1jfs s VAL 183 Cb 0.05 -0.44 0.09 0.00 -1.53 0.00 0.00 36.38 34.56 1jfs s VAL 183 CO 0.08 0.03 0.06 -0.63 -3.33 0.00 0.00 175.10 171.32 1jfs s ILE 184 N 0.90 2.53 0.21 7.04 1.01 -0.97 -1.78 121.20 130.14 1jfs s ILE 184 Ca -0.06 -2.14 0.03 0.00 0.00 0.00 0.00 60.65 58.48 1jfs s ILE 184 Cb -0.07 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1jfs s ILE 184 CO -0.06 -0.52 0.35 -2.16 0.00 0.00 0.00 174.94 172.55 1jfs s PRO 185 N 1.00 3.45 0.80 2.79 0.05 -1.22 -0.38 135.00 141.48 1jfs s PRO 185 Ca 0.07 -0.61 -0.11 0.00 0.05 0.00 0.00 61.00 60.40 1jfs s PRO 185 Cb -0.20 -2.89 0.07 0.00 0.05 0.00 0.00 34.50 31.53 1jfs s PRO 185 CO -0.06 0.44 1.09 0.20 0.05 0.00 0.00 177.00 178.71 1jfs s GLY 186 N -3.61 1.63 -0.42 0.56 0.00 -1.26 0.26 107.32 104.48 1jfs s GLY 186 Ca 0.35 -0.12 -0.45 0.00 0.00 0.00 0.00 44.72 44.50 1jfs s GLY 186 CO 0.29 0.29 1.59 -1.55 0.00 0.00 0.00 173.10 173.73 1jfs n PRO 187 N -3.46 0.22 0.24 2.90 -0.04 -1.15 -4.28 135.00 129.43 1jfs n PRO 187 Ca 0.07 0.08 0.15 0.00 -0.04 0.00 0.00 63.50 63.77 1jfs n PRO 187 Cb 0.56 -1.62 0.82 0.00 -0.04 0.00 0.00 33.50 33.22 1jfs n PRO 187 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jfs h LEU 188 N 5.27 0.00 0.00 1.53 3.38 -1.90 -0.14 115.31 123.46 1jfs h LEU 188 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1jfs h LEU 188 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1jfs h LEU 188 CO 0.95 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.86 1jfs n GLU 189 N -2.59 0.60 -4.38 1.13 4.71 -1.26 -4.28 120.64 114.57 1jfs n GLU 189 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.16 56.87 1jfs n GLU 189 Cb 0.11 -1.42 -0.12 0.00 -1.01 0.00 0.00 31.44 29.00 1jfs n GLU 189 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1jfs s ARG 190 N -2.00 1.41 0.08 3.49 0.52 -0.06 -4.52 118.95 117.86 1jfs s ARG 190 Ca 0.24 -1.43 -0.33 0.00 -0.52 0.00 0.00 55.73 53.69 1jfs s ARG 190 Cb 0.11 -1.71 -0.17 0.00 0.52 0.00 0.00 34.95 33.70 1jfs s ARG 190 CO 0.19 0.38 1.61 -0.97 0.02 0.00 0.00 175.30 176.53 1jfs h ASN 191 N 3.45 -0.92 0.00 0.23 -1.24 -1.83 0.24 115.58 115.50 1jfs h ASN 191 Ca -0.47 0.05 0.00 0.00 0.71 0.00 0.00 56.30 56.60 1jfs h ASN 191 Cb 1.20 0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.52 1jfs h ASN 191 CO 0.46 -0.57 0.01 0.71 -1.29 0.00 0.00 177.43 176.74 1jfs h THR 192 N -0.91 0.00 0.00 -3.57 1.35 -1.91 0.43 112.91 108.29 1jfs h THR 192 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1jfs h THR 192 Cb 0.74 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1jfs h THR 192 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 1jfs n GLY 193 N -1.19 1.51 0.26 5.82 0.00 0.12 -4.11 105.19 107.60 1jfs n GLY 193 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1jfs n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfs h ALA 194 N -2.00 0.69 -0.24 4.61 0.00 -0.69 -2.64 119.26 118.99 1jfs h ALA 194 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1jfs h ALA 194 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1jfs h ALA 194 CO 0.00 -0.41 0.03 0.78 0.00 0.00 0.00 179.25 179.66 1jfs h GLY 195 N 0.10 0.25 1.06 0.00 0.00 -0.23 0.65 103.07 104.91 1jfs h GLY 195 Ca 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1jfs h GLY 195 CO -0.61 -0.02 0.43 3.21 0.00 0.00 0.00 176.54 179.55 1jfs h ARG 196 N 0.12 1.22 -0.56 4.80 3.08 -1.38 -2.59 114.38 119.07 1jfs h ARG 196 Ca 0.11 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 1jfs h ARG 196 Cb 0.12 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1jfs h ARG 196 CO -0.15 0.92 -0.03 1.25 -1.07 0.00 0.00 179.97 180.89 1jfs h LEU 197 N 1.21 0.97 -0.25 3.04 5.85 -1.06 -2.59 115.31 122.47 1jfs h LEU 197 Ca 0.30 -0.28 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 1jfs h LEU 197 Cb 0.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1jfs h LEU 197 CO -0.04 1.04 -0.76 0.00 -0.34 0.00 0.00 178.44 178.33 1jfs h ALA 198 N 1.06 0.42 -0.84 1.25 0.00 -0.74 0.17 119.26 120.58 1jfs h ALA 198 Ca 0.16 -0.60 0.16 0.00 0.00 0.00 0.00 54.91 54.63 1jfs h ALA 198 Cb 0.56 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1jfs h ALA 198 CO 0.03 0.71 0.55 0.78 0.00 0.00 0.00 179.25 181.33 1jfs h GLY 199 N 0.83 0.91 0.25 0.00 0.00 -1.36 0.17 103.07 103.88 1jfs h GLY 199 Ca -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1jfs h GLY 199 CO 0.15 0.05 -0.09 -2.75 0.00 0.00 0.00 176.54 173.90 1jfs h PHE 200 N 0.50 0.09 0.00 5.60 3.57 -1.06 -1.43 116.94 124.21 1jfs h PHE 200 Ca 0.42 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1jfs h PHE 200 Cb 0.89 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1jfs h PHE 200 CO -0.00 0.88 0.00 1.98 -2.23 0.00 0.00 178.31 178.94 1jfs h MET 201 N -0.74 0.00 0.12 1.11 4.05 0.60 -2.39 114.93 117.68 1jfs h MET 201 Ca -0.01 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.11 1jfs h MET 201 Cb 0.91 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1jfs h MET 201 CO 0.02 0.00 -1.24 1.57 0.23 0.00 0.00 176.91 177.49 1jfs h LYS 202 N 0.00 0.56 -0.53 0.39 5.09 -0.64 -1.28 116.57 120.16 1jfs h LYS 202 Ca 0.00 -0.77 -0.04 0.00 0.09 0.00 0.00 60.65 59.93 1jfs h LYS 202 Cb 0.05 0.26 -0.02 0.00 0.10 0.00 0.00 32.23 32.61 1jfs h LYS 202 CO 0.00 1.34 0.16 0.00 -2.09 0.00 0.00 179.45 178.87 1jfs h ALA 203 N 0.36 1.30 0.34 0.07 0.00 -1.43 -1.13 119.26 118.76 1jfs h ALA 203 Ca -0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1jfs h ALA 203 Cb 1.92 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1jfs h ALA 203 CO 0.23 0.50 -0.22 0.52 0.00 0.00 0.00 179.25 180.29 1jfs h MET 204 N 0.76 -0.52 -0.53 0.00 2.86 -1.39 0.38 114.93 116.50 1jfs h MET 204 Ca 0.18 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1jfs h MET 204 Cb 0.23 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 1jfs h MET 204 CO -0.01 -0.35 0.21 0.93 1.06 0.00 0.00 176.91 178.75 1jfs h GLU 205 N -0.54 0.39 -0.85 1.72 5.08 -0.89 0.14 114.58 119.63 1jfs h GLU 205 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1jfs h GLU 205 Cb 0.45 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1jfs h GLU 205 CO 0.02 0.26 0.52 0.93 -1.00 0.00 0.00 179.01 179.74 1jfs h GLU 206 N 0.40 1.14 0.00 2.33 5.08 -0.70 -0.85 114.58 121.98 1jfs h GLU 206 Ca 0.25 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jfs h GLU 206 Cb 0.25 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jfs h GLU 206 CO -0.24 0.79 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 1jfs n ALA 207 N -2.41 1.88 -1.27 3.43 0.00 0.13 -4.84 120.51 117.43 1jfs n ALA 207 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1jfs n ALA 207 Cb 0.06 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 1jfs n ALA 207 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jfs n MET 208 N -1.68 -0.25 -3.34 0.00 2.81 -0.15 -5.02 117.12 109.48 1jfs n MET 208 Ca 0.04 0.54 -0.38 0.00 -1.81 0.00 0.00 57.70 56.10 1jfs n MET 208 Cb 0.24 -4.20 -0.06 0.00 -0.71 0.00 0.00 33.22 28.49 1jfs n MET 208 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1jfs s ILE 209 N -2.14 5.17 -0.20 2.02 1.01 -0.44 -5.01 121.20 121.61 1jfs s ILE 209 Ca 0.00 0.93 -0.09 0.00 0.00 0.00 0.00 60.65 61.48 1jfs s ILE 209 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1jfs s ILE 209 CO 0.00 0.36 0.11 -0.54 0.00 0.00 0.00 174.94 174.87 1jfs s LYS 210 N 0.40 4.10 -0.47 2.79 3.01 -1.26 -4.28 119.74 124.04 1jfs s LYS 210 Ca 0.25 -0.27 -0.15 0.00 -1.01 0.00 0.00 55.97 54.79 1jfs s LYS 210 Cb -0.15 -3.36 0.07 0.00 -1.01 0.00 0.00 37.83 33.38 1jfs s LYS 210 CO 0.10 0.27 0.39 0.08 0.51 0.00 0.00 175.35 176.71 1jfs s VAL 211 N 0.42 5.24 0.22 3.17 1.01 -1.26 -4.91 120.40 124.28 1jfs s VAL 211 Ca 0.06 -1.04 -0.32 0.00 0.00 0.00 0.00 61.98 60.68 1jfs s VAL 211 Cb -0.12 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.02 1jfs s VAL 211 CO -0.01 -0.57 1.68 -0.81 0.00 0.00 0.00 175.10 175.40 1jfs n PRO 212 N 5.20 2.69 0.07 2.72 -0.04 -1.26 -4.85 135.00 139.54 1jfs n PRO 212 Ca -0.12 0.97 0.05 0.00 -0.04 0.00 0.00 63.50 64.35 1jfs n PRO 212 Cb 0.44 -2.79 0.26 0.00 -0.04 0.00 0.00 33.50 31.36 1jfs n PRO 212 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1jfs n GLU 213 N 3.55 0.06 0.00 0.54 -0.00 -1.26 -0.09 120.64 123.44 1jfs n GLU 213 Ca 0.15 0.56 0.13 0.00 -0.00 0.00 0.00 57.16 58.00 1jfs n GLU 213 Cb 0.34 -1.70 0.60 0.00 -0.00 0.00 0.00 31.44 30.69 1jfs n GLU 213 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1jfs n SER 214 N -1.83 0.00 -1.56 -1.84 3.41 -1.26 -2.40 113.62 108.13 1jfs n SER 214 Ca -0.01 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1jfs n SER 214 Cb 0.02 -0.49 0.35 0.00 -0.26 0.00 0.00 64.21 63.83 1jfs n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1jfs n TRP 215 N -1.49 1.59 -3.94 7.33 8.01 0.87 -4.78 117.44 125.02 1jfs n TRP 215 Ca 0.07 -0.69 -0.31 0.00 -1.31 0.00 0.00 57.50 55.27 1jfs n TRP 215 Cb 0.32 -0.34 -0.15 0.00 -2.01 0.00 0.00 31.31 29.13 1jfs n TRP 215 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 1jfs s ILE 216 N -2.28 1.83 -0.09 -0.99 1.01 -1.01 -1.77 121.20 117.89 1jfs s ILE 216 Ca 0.50 -1.91 0.03 0.00 0.00 0.00 0.00 60.65 59.28 1jfs s ILE 216 Cb 0.35 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1jfs s ILE 216 CO 0.19 -0.51 -0.21 -0.69 0.00 0.00 0.00 174.94 173.73 1jfs s VAL 217 N 1.16 1.81 0.28 2.92 1.01 -0.74 -5.01 120.40 121.83 1jfs s VAL 217 Ca 0.07 -0.87 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1jfs s VAL 217 Cb -0.19 -1.58 -0.10 0.00 0.00 0.00 0.00 36.38 34.52 1jfs s VAL 217 CO -0.12 0.50 1.23 -1.58 0.00 0.00 0.00 175.10 175.14 1jfs s GLN 218 N 0.45 4.46 0.26 2.72 2.00 -1.26 -3.45 119.66 124.84 1jfs s GLN 218 Ca -0.17 2.03 0.01 0.00 -2.00 0.00 0.00 55.36 55.23 1jfs s GLN 218 Cb -0.17 -3.14 0.01 0.00 0.80 0.00 0.00 33.01 30.51 1jfs s GLN 218 CO 0.07 -0.06 0.06 0.41 -0.50 0.00 0.00 175.29 175.28 1jfs n GLY 219 N 1.26 3.58 0.26 2.59 0.00 0.14 -4.90 105.19 108.12 1jfs n GLY 219 Ca 0.01 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.76 1jfs n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfs n ASP 220 N -1.39 0.21 0.00 1.61 3.85 -1.26 -2.93 116.55 116.63 1jfs n ASP 220 Ca -0.08 -1.65 0.00 0.00 -0.71 0.00 0.00 54.79 52.35 1jfs n ASP 220 Cb 0.32 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1jfs n ASP 220 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1jfs n PHE 221 N -0.10 0.00 -4.63 2.11 3.72 -1.26 -4.86 117.46 112.44 1jfs n PHE 221 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1jfs n PHE 221 Cb 0.60 -0.13 -0.14 0.00 -0.94 0.00 0.00 39.48 38.87 1jfs n PHE 221 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1jfs s GLU 222 N -0.12 3.37 0.32 -1.08 0.41 -1.26 -4.30 118.70 116.04 1jfs s GLU 222 Ca 0.00 -0.68 0.20 0.00 -0.41 0.00 0.00 54.97 54.07 1jfs s GLU 222 Cb 0.00 -2.68 1.14 0.00 -1.78 0.00 0.00 34.13 30.81 1jfs s GLU 222 CO 0.00 0.14 1.30 -0.35 -0.49 0.00 0.00 175.26 175.86 1jfs n PRO 223 N 3.74 -0.04 -0.03 0.39 -0.04 -1.25 0.44 135.00 138.19 1jfs n PRO 223 Ca -0.18 1.11 -0.10 0.00 -0.04 0.00 0.00 63.50 64.29 1jfs n PRO 223 Cb 0.52 -2.04 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 1jfs n PRO 223 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1jfs h GLU 224 N 0.00 0.17 -0.71 0.54 4.57 -1.93 0.29 114.58 117.52 1jfs h GLU 224 Ca 0.71 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.92 1jfs h GLU 224 Cb 1.97 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 30.48 1jfs h GLU 224 CO -0.57 0.11 0.47 0.66 -1.18 0.00 0.00 179.01 178.50 1jfs h SER 225 N 0.18 0.71 0.56 1.04 4.64 -0.40 0.41 113.55 120.69 1jfs h SER 225 Ca 0.07 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1jfs h SER 225 Cb 0.02 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1jfs h SER 225 CO -0.06 0.48 -0.43 1.23 -0.87 0.00 0.00 176.83 177.19 1jfs h GLY 226 N 0.82 -1.10 0.00 -0.77 0.00 -1.05 0.27 103.07 101.25 1jfs h GLY 226 Ca 0.29 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1jfs h GLY 226 CO -0.09 -0.37 0.00 2.98 0.00 0.00 0.00 176.54 179.06 1jfs n TYR 227 N -5.54 0.00 -0.37 5.60 4.19 0.02 -1.33 117.16 119.73 1jfs n TYR 227 Ca -0.12 0.00 0.34 0.00 3.31 0.00 0.00 57.90 61.43 1jfs n TYR 227 Cb 0.43 -0.49 0.69 0.00 0.49 0.00 0.00 39.34 40.46 1jfs n TYR 227 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1jfs h ARG 228 N 0.00 0.10 0.03 2.98 -0.00 -0.17 -0.76 114.38 116.56 1jfs h ARG 228 Ca 0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.98 59.42 1jfs h ARG 228 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 29.97 29.95 1jfs h ARG 228 CO 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 179.97 179.80 1jfs h ALA 229 N 1.44 -0.01 -0.54 0.04 0.00 0.24 -2.04 119.26 118.39 1jfs h ALA 229 Ca 0.63 -0.53 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1jfs h ALA 229 Cb 2.26 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 20.01 1jfs h ALA 229 CO -0.12 0.09 0.17 1.98 0.00 0.00 0.00 179.25 181.37 1jfs h MET 230 N -0.73 0.32 -0.31 0.00 -1.53 -0.70 0.24 114.93 112.22 1jfs h MET 230 Ca -0.04 -0.02 0.07 0.00 -3.44 0.00 0.00 59.70 56.27 1jfs h MET 230 Cb 1.12 -0.07 -0.07 0.00 -0.55 0.00 0.00 31.60 32.03 1jfs h MET 230 CO 0.04 0.21 -0.15 0.37 0.14 0.00 0.00 176.91 177.52 1jfs h GLN 231 N 0.33 -0.10 0.00 0.39 4.15 -1.19 0.34 115.11 119.03 1jfs h GLN 231 Ca 0.27 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.68 1jfs h GLN 231 Cb 0.33 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 1jfs h GLN 231 CO -0.30 -0.07 -0.08 0.37 -1.93 0.00 0.00 178.83 176.83 1jfs h GLN 232 N -0.11 0.00 0.02 1.69 4.15 -0.17 -1.79 115.11 118.91 1jfs h GLN 232 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 1jfs h GLN 232 Cb 0.35 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.05 1jfs h GLN 232 CO -0.38 0.08 -0.33 0.82 -1.93 0.00 0.00 178.83 177.09 1jfs h ILE 233 N 0.00 1.57 -0.00 2.39 2.04 0.15 -3.32 117.51 120.35 1jfs h ILE 233 Ca -0.00 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1jfs h ILE 233 Cb 0.33 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1jfs h ILE 233 CO 0.01 0.58 -0.27 0.18 0.00 0.00 0.00 178.15 178.66 1jfs n LEU 234 N -4.43 0.53 -0.08 1.44 4.32 -0.98 -3.48 117.00 114.31 1jfs n LEU 234 Ca -0.11 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1jfs n LEU 234 Cb 0.57 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 1jfs n LEU 234 CO 0.41 0.11 0.44 -1.20 -1.22 0.00 0.00 177.39 175.93 1jfs n SER 235 N -1.17 0.15 -4.59 -1.43 7.64 -0.67 -4.80 113.62 108.75 1jfs n SER 235 Ca 0.10 -1.92 -0.25 0.00 1.01 0.00 0.00 58.87 57.80 1jfs n SER 235 Cb 0.32 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.36 1jfs n SER 235 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jfs s GLN 236 N -1.84 2.12 0.14 1.43 -2.07 -1.23 -5.03 119.66 113.19 1jfs s GLN 236 Ca 0.00 -1.35 -0.19 0.00 -1.82 0.00 0.00 55.36 51.99 1jfs s GLN 236 Cb 0.00 -2.14 0.03 0.00 -1.09 0.00 0.00 33.01 29.81 1jfs s GLN 236 CO 0.00 0.40 1.68 -1.00 -1.32 0.00 0.00 175.29 175.05 1jfs h PRO 237 N 2.50 -0.03 -4.88 9.60 0.13 -1.91 -3.37 132.00 134.03 1jfs h PRO 237 Ca -0.45 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 1jfs h PRO 237 Cb 1.22 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 1jfs h PRO 237 CO 0.57 -0.02 -0.64 -1.58 -0.23 0.00 0.00 178.00 176.10 1jfs s HIS 238 N -6.20 3.09 0.11 1.56 5.65 -1.26 -5.09 115.29 113.16 1jfs s HIS 238 Ca -0.14 -0.80 0.10 0.00 0.25 0.00 0.00 55.06 54.47 1jfs s HIS 238 Cb 0.12 -2.22 -0.04 0.00 -1.18 0.00 0.00 32.58 29.26 1jfs s HIS 238 CO 0.69 -0.51 -0.25 -0.98 -0.65 0.00 0.00 174.74 173.05 1jfs s ARG 239 N 1.53 1.35 1.20 2.88 1.70 -1.26 -5.00 118.95 121.34 1jfs s ARG 239 Ca 0.04 -1.27 -0.14 0.00 -0.47 0.00 0.00 55.73 53.90 1jfs s ARG 239 Cb -0.16 -1.75 0.29 0.00 -0.57 0.00 0.00 34.95 32.76 1jfs s ARG 239 CO 0.02 0.42 0.90 -0.35 -1.08 0.00 0.00 175.30 175.21 1jfs n PRO 240 N 1.05 -2.58 -0.01 3.89 -0.04 -1.26 -4.95 135.00 131.09 1jfs n PRO 240 Ca -0.18 -0.73 0.06 0.00 -0.04 0.00 0.00 63.50 62.61 1jfs n PRO 240 Cb 0.53 -2.11 -0.12 0.00 -0.04 0.00 0.00 33.50 31.77 1jfs n PRO 240 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jfs n THR 241 N -5.01 0.08 -3.94 0.52 -2.24 0.16 -4.98 114.28 98.87 1jfs n THR 241 Ca 0.02 -0.37 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1jfs n THR 241 Cb 0.55 0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.78 1jfs n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jfs s ALA 242 N -2.99 -0.02 -0.03 6.98 0.00 -1.02 -2.76 121.76 121.92 1jfs s ALA 242 Ca -0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1jfs s ALA 242 Cb 0.09 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.52 1jfs s ALA 242 CO 0.62 -0.36 0.06 0.08 0.00 0.00 0.00 175.76 176.17 1jfs s VAL 243 N -3.00 -0.03 -0.26 0.00 1.01 -0.49 -0.11 120.40 117.52 1jfs s VAL 243 Ca -0.02 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.97 1jfs s VAL 243 Cb 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 1jfs s VAL 243 CO -0.06 0.04 0.14 0.12 0.00 0.00 0.00 175.10 175.34 1jfs s PHE 244 N 0.54 3.19 -0.34 5.22 5.36 0.42 -0.86 117.98 131.52 1jfs s PHE 244 Ca -0.04 -0.04 -0.13 0.00 -0.96 0.00 0.00 56.93 55.76 1jfs s PHE 244 Cb -0.06 -2.30 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1jfs s PHE 244 CO -0.02 -0.17 0.25 0.00 -1.46 0.00 0.00 175.22 173.82 1jfs h GLY 246 N 8.51 0.00 -4.88 0.00 0.00 -1.01 -2.98 103.07 102.71 1jfs h GLY 246 Ca -0.31 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.09 1jfs h GLY 246 CO 0.64 0.00 0.49 -0.32 0.00 0.00 0.00 176.54 177.35 1jfs s GLY 247 N -2.92 -0.22 0.23 4.60 0.00 -1.23 -4.60 107.32 103.18 1jfs s GLY 247 Ca -0.01 2.32 -0.06 0.00 0.00 0.00 0.00 44.72 46.97 1jfs s GLY 247 CO 0.07 1.41 1.76 -0.55 0.00 0.00 0.00 173.10 175.78 1jfs h ASP 248 N 3.34 0.36 -0.73 1.64 3.45 -1.37 0.59 116.42 123.71 1jfs h ASP 248 Ca -0.23 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 1jfs h ASP 248 Cb 1.17 0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.93 1jfs h ASP 248 CO 0.22 0.19 0.37 0.40 -1.57 0.00 0.00 179.24 178.85 1jfs h ILE 249 N 0.52 1.23 -0.34 0.35 1.08 -1.88 0.28 117.51 118.75 1jfs h ILE 249 Ca 0.36 -0.63 -0.08 0.00 -0.39 0.00 0.00 64.86 64.13 1jfs h ILE 249 Cb 0.45 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 1jfs h ILE 249 CO -0.32 0.27 -0.11 0.24 -0.69 0.00 0.00 178.15 177.54 1jfs h MET 250 N 1.02 0.59 -0.32 2.37 2.86 -1.65 -2.15 114.93 117.64 1jfs h MET 250 Ca 0.25 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.77 1jfs h MET 250 Cb 0.09 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1jfs h MET 250 CO -0.04 0.69 0.07 0.00 1.06 0.00 0.00 176.91 178.69 1jfs h ALA 251 N 1.35 0.34 -0.88 6.32 0.00 0.16 0.33 119.26 126.87 1jfs h ALA 251 Ca 0.10 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1jfs h ALA 251 Cb 0.51 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1jfs h ALA 251 CO 0.03 -0.34 0.57 1.98 0.00 0.00 0.00 179.25 181.49 1jfs h MET 252 N 0.18 0.61 -0.07 0.00 -1.53 -0.14 0.52 114.93 114.50 1jfs h MET 252 Ca 0.15 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.37 1jfs h MET 252 Cb 0.16 -0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.07 1jfs h MET 252 CO -0.19 0.40 0.02 0.78 0.14 0.00 0.00 176.91 178.06 1jfs h GLY 253 N 0.63 0.11 0.85 1.39 0.00 0.19 -2.64 103.07 103.59 1jfs h GLY 253 Ca 0.45 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.75 1jfs h GLY 253 CO -0.20 0.06 0.52 0.00 0.00 0.00 0.00 176.54 176.92 1jfs h ALA 254 N 0.85 1.09 -0.76 3.60 0.00 0.12 -2.77 119.26 121.39 1jfs h ALA 254 Ca 0.02 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 1jfs h ALA 254 Cb 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1jfs h ALA 254 CO -0.00 0.33 0.42 -0.07 0.00 0.00 0.00 179.25 179.93 1jfs h LEU 255 N 1.01 0.60 0.53 0.00 -0.00 0.24 -2.99 115.31 114.70 1jfs h LEU 255 Ca 0.33 0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 58.24 1jfs h LEU 255 Cb 0.04 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 1jfs h LEU 255 CO -0.12 0.36 -0.44 0.00 -0.00 0.00 0.00 178.44 178.24 1jfs h ALA 257 N -1.11 1.03 -0.11 0.00 0.00 -1.49 0.14 119.26 117.72 1jfs h ALA 257 Ca -0.07 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1jfs h ALA 257 Cb 0.79 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1jfs h ALA 257 CO -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 179.25 178.86 1jfs h ALA 258 N 1.68 0.10 -0.46 0.00 0.00 -1.46 0.40 119.26 119.51 1jfs h ALA 258 Ca 0.46 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.47 1jfs h ALA 258 Cb 0.84 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1jfs h ALA 258 CO -0.58 -0.45 0.13 0.22 0.00 0.00 0.00 179.25 178.57 1jfs h ASP 259 N 0.05 0.09 0.78 0.00 1.82 -0.61 0.30 116.42 118.85 1jfs h ASP 259 Ca 0.05 0.07 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 1jfs h ASP 259 Cb 0.06 0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.14 1jfs h ASP 259 CO -0.08 0.08 -0.13 -0.33 -1.61 0.00 0.00 179.24 177.16 1jfs h GLU 260 N 0.28 0.00 -0.29 0.28 5.08 -0.10 0.15 114.58 119.98 1jfs h GLU 260 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1jfs h GLU 260 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jfs h GLU 260 CO -0.26 0.13 0.00 -1.33 -1.00 0.00 0.00 179.01 176.55 1jfs n MET 261 N -3.36 1.91 -1.29 2.33 2.81 0.13 -4.91 117.12 114.75 1jfs n MET 261 Ca -0.00 -1.39 -0.10 0.00 -1.81 0.00 0.00 57.70 54.40 1jfs n MET 261 Cb 0.34 -1.38 -0.04 0.00 -0.71 0.00 0.00 33.22 31.43 1jfs n MET 261 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jfs n GLY 262 N 1.18 1.05 3.82 3.03 0.00 0.53 -5.00 105.19 109.81 1jfs n GLY 262 Ca 0.15 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1jfs n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jfs s LEU 263 N -2.24 4.34 -0.17 0.99 1.02 0.83 -4.95 118.68 118.50 1jfs s LEU 263 Ca 0.00 1.32 -0.14 0.00 0.02 0.00 0.00 54.13 55.33 1jfs s LEU 263 Cb 0.00 -3.49 -0.04 0.00 0.02 0.00 0.00 46.19 42.68 1jfs s LEU 263 CO 0.00 0.05 0.32 -0.60 0.02 0.00 0.00 176.35 176.15 1jfs s ARG 264 N -1.96 4.24 -0.23 1.70 3.00 -1.26 -3.79 118.95 120.64 1jfs s ARG 264 Ca 0.41 0.12 -0.05 0.00 -1.00 0.00 0.00 55.73 55.21 1jfs s ARG 264 Cb -0.16 -3.46 -0.01 0.00 0.00 0.00 0.00 34.95 31.32 1jfs s ARG 264 CO 0.20 0.16 0.00 0.08 0.00 0.00 0.00 175.30 175.74 1jfs s VAL 265 N 0.71 3.70 -1.18 7.11 1.01 -1.26 0.82 120.40 131.32 1jfs s VAL 265 Ca 0.17 -0.41 0.14 0.00 0.00 0.00 0.00 61.98 61.88 1jfs s VAL 265 Cb -0.14 -2.72 0.41 0.00 0.00 0.00 0.00 36.38 33.93 1jfs s VAL 265 CO 0.05 0.37 1.34 -0.81 0.00 0.00 0.00 175.10 176.05 1jfs n PRO 266 N 4.84 2.86 -0.31 2.72 -0.04 -1.25 -4.65 135.00 139.17 1jfs n PRO 266 Ca -0.17 -2.25 0.18 0.00 -0.04 0.00 0.00 63.50 61.22 1jfs n PRO 266 Cb 0.51 -1.37 0.43 0.00 -0.04 0.00 0.00 33.50 33.03 1jfs n PRO 266 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1jfs h GLN 267 N 2.64 0.54 0.04 0.54 7.50 -1.80 -2.40 115.11 122.16 1jfs h GLN 267 Ca 0.00 -0.03 -0.38 0.00 0.50 0.00 0.00 58.65 58.73 1jfs h GLN 267 Cb 0.83 -0.12 -0.05 0.00 0.05 0.00 0.00 27.48 28.19 1jfs h GLN 267 CO 0.01 0.35 -2.30 -0.25 -1.50 0.00 0.00 178.83 175.14 1jfs n ASP 268 N -4.65 2.02 -3.78 1.46 8.00 0.24 -4.96 116.55 114.88 1jfs n ASP 268 Ca 0.23 0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 1jfs n ASP 268 Cb 0.70 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 41.07 1jfs n ASP 268 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1jfs s VAL 269 N -2.52 -0.02 0.15 2.53 -7.23 0.28 -4.93 120.40 108.65 1jfs s VAL 269 Ca -0.31 0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 59.78 1jfs s VAL 269 Cb 0.09 -0.25 -0.07 0.00 0.56 0.00 0.00 36.38 36.70 1jfs s VAL 269 CO 0.64 0.03 0.59 -0.44 -0.31 0.00 0.00 175.10 175.62 1jfs s SER 270 N 0.64 6.93 -0.03 4.85 0.01 -1.11 -3.77 113.70 121.21 1jfs s SER 270 Ca -0.05 1.19 0.02 0.00 1.31 0.00 0.00 55.95 58.43 1jfs s SER 270 Cb -0.06 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1jfs s SER 270 CO -0.03 0.12 -0.09 -0.22 0.41 0.00 0.00 173.24 173.43 1jfs s LEU 271 N -1.80 1.75 -0.10 2.44 1.98 -0.55 -1.40 118.68 121.00 1jfs s LEU 271 Ca 0.37 -0.19 0.02 0.00 -2.89 0.00 0.00 54.13 51.44 1jfs s LEU 271 Cb -0.16 -0.56 0.01 0.00 0.66 0.00 0.00 46.19 46.14 1jfs s LEU 271 CO 0.20 0.06 -0.16 -0.51 -1.89 0.00 0.00 176.35 174.04 1jfs s ILE 272 N 0.27 1.51 0.00 6.68 2.07 -0.04 -4.41 121.20 127.28 1jfs s ILE 272 Ca -0.04 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1jfs s ILE 272 Cb -0.09 -1.37 0.00 0.00 0.13 0.00 0.00 42.46 41.13 1jfs s ILE 272 CO 0.01 0.44 0.00 0.61 -1.91 0.00 0.00 174.94 174.09 1jfs n GLY 273 N 4.06 2.05 3.61 1.50 0.00 -0.60 0.35 105.19 116.16 1jfs n GLY 273 Ca -0.20 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 43.74 1jfs n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfs s TYR 274 N 1.64 -1.32 0.00 1.61 6.04 -1.13 -2.84 117.35 121.36 1jfs s TYR 274 Ca 0.00 2.27 0.00 0.00 0.04 0.00 0.00 57.07 59.38 1jfs s TYR 274 Cb 0.00 0.77 0.00 0.00 -1.04 0.00 0.00 41.96 41.69 1jfs s TYR 274 CO 0.00 -0.66 0.00 -0.25 -1.54 0.00 0.00 175.55 173.10 1jfs n ASP 275 N 5.45 0.00 -3.14 4.32 10.43 0.76 -1.15 116.55 133.21 1jfs n ASP 275 Ca -0.12 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.21 1jfs n ASP 275 Cb 0.49 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.45 1jfs n ASP 275 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1jfs n ASN 276 N 0.00 -7.46 -4.88 -2.24 5.15 -1.20 -2.38 115.26 102.26 1jfs n ASN 276 Ca 0.00 -0.16 -0.31 0.00 -0.60 0.00 0.00 54.58 53.51 1jfs n ASN 276 Cb 0.00 -4.88 -0.05 0.00 -0.53 0.00 0.00 39.78 34.32 1jfs n ASN 276 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1jfs s VAL 277 N -2.98 4.93 0.22 3.44 -7.23 -1.26 -4.71 120.40 112.81 1jfs s VAL 277 Ca 0.01 0.44 0.11 0.00 -1.81 0.00 0.00 61.98 60.72 1jfs s VAL 277 Cb -0.00 -3.64 0.23 0.00 0.56 0.00 0.00 36.38 33.53 1jfs s VAL 277 CO 0.77 -0.13 0.98 0.54 -0.31 0.00 0.00 175.10 176.95 1jfs n ARG 278 N -0.31 -0.04 0.15 4.82 1.74 -1.26 0.33 116.66 122.09 1jfs n ARG 278 Ca 0.00 0.87 0.09 0.00 -0.77 0.00 0.00 57.85 58.05 1jfs n ARG 278 Cb 0.53 -1.53 0.07 0.00 -1.02 0.00 0.00 32.46 30.51 1jfs n ARG 278 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1jfs h ASN 279 N 0.00 0.00 -0.79 0.55 2.35 -2.01 -3.40 115.58 112.29 1jfs h ASN 279 Ca 0.50 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 56.39 1jfs h ASN 279 Cb 1.27 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.50 1jfs h ASN 279 CO -0.50 0.13 -0.23 0.00 -1.65 0.00 0.00 177.43 175.18 1jfs n ALA 280 N -2.17 0.10 -0.12 -0.83 0.00 0.15 -0.01 120.51 117.63 1jfs n ALA 280 Ca 0.01 0.84 0.13 0.00 0.00 0.00 0.00 53.44 54.42 1jfs n ALA 280 Cb 0.60 -0.47 0.50 0.00 0.00 0.00 0.00 19.45 20.08 1jfs n ALA 280 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1jfs h ARG 281 N 0.00 0.40 -0.07 0.00 1.12 -1.77 0.33 114.38 114.39 1jfs h ARG 281 Ca 0.35 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.19 1jfs h ARG 281 Cb 0.54 -0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 1jfs h ARG 281 CO -0.80 0.27 0.00 0.66 -3.11 0.00 0.00 179.97 176.99 1jfs n TYR 282 N -4.47 0.09 -1.14 2.20 0.53 0.99 -4.06 117.16 111.29 1jfs n TYR 282 Ca 0.12 -0.04 -0.29 0.00 -1.02 0.00 0.00 57.90 56.66 1jfs n TYR 282 Cb 0.44 0.00 0.15 0.00 -1.03 0.00 0.00 39.34 38.90 1jfs n TYR 282 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 1jfs s PHE 283 N -1.91 2.20 -0.24 -0.72 0.40 0.11 -4.89 117.98 112.93 1jfs s PHE 283 Ca 0.25 1.22 0.01 0.00 -0.60 0.00 0.00 56.93 57.82 1jfs s PHE 283 Cb 0.12 -3.18 0.06 0.00 0.51 0.00 0.00 43.02 40.53 1jfs s PHE 283 CO 0.20 -2.58 -0.07 0.99 0.70 0.00 0.00 175.22 174.46 1jfs s THR 284 N -2.90 1.68 0.84 0.64 2.01 -1.26 -1.92 115.64 114.72 1jfs s THR 284 Ca 0.64 -1.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 1jfs s THR 284 Cb -0.19 -1.91 0.12 0.00 0.01 0.00 0.00 72.50 70.54 1jfs s THR 284 CO 0.57 -0.09 1.19 -2.16 -0.69 0.00 0.00 174.62 173.45 1jfs s PRO 285 N 1.33 1.52 -0.15 4.92 0.04 -1.26 -4.98 135.00 136.41 1jfs s PRO 285 Ca -0.06 -0.21 -0.35 0.00 0.04 0.00 0.00 61.00 60.42 1jfs s PRO 285 Cb -0.19 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 1jfs s PRO 285 CO -0.06 -1.82 1.93 0.00 0.04 0.00 0.00 177.00 177.09 1jfs n ALA 286 N -3.38 0.84 -2.25 8.56 0.00 -0.81 -4.77 120.51 118.71 1jfs n ALA 286 Ca 0.11 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 1jfs n ALA 286 Cb 0.60 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 1jfs n ALA 286 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jfs s LEU 287 N 4.70 4.34 -0.01 0.00 2.96 -1.20 -0.69 118.68 128.80 1jfs s LEU 287 Ca 0.96 2.16 -0.20 0.00 -0.22 0.00 0.00 54.13 56.83 1jfs s LEU 287 Cb -0.73 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.33 1jfs s LEU 287 CO 0.52 -0.65 0.57 -0.89 -1.32 0.00 0.00 176.35 174.59 1jfs s THR 288 N 1.68 4.92 0.19 3.68 2.01 -1.26 -4.55 115.64 122.32 1jfs s THR 288 Ca 0.63 1.20 -0.24 0.00 0.31 0.00 0.00 61.69 63.59 1jfs s THR 288 Cb -0.33 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.32 1jfs s THR 288 CO 0.28 0.43 0.85 0.28 -0.69 0.00 0.00 174.62 175.77 1jfs s THR 289 N -0.25 0.00 -0.10 -0.82 -1.32 -1.08 -1.56 115.64 110.51 1jfs s THR 289 Ca 0.30 -0.72 -0.23 0.00 -1.21 0.00 0.00 61.69 59.83 1jfs s THR 289 Cb -0.18 -1.89 -0.03 0.00 -1.51 0.00 0.00 72.50 68.89 1jfs s THR 289 CO 0.17 0.00 0.70 -0.63 -2.21 0.00 0.00 174.62 172.65 1jfs s ILE 290 N -3.54 5.02 -0.20 5.08 -1.09 -1.13 -0.00 121.20 125.34 1jfs s ILE 290 Ca 0.11 1.41 -0.13 0.00 -2.23 0.00 0.00 60.65 59.82 1jfs s ILE 290 Cb -0.03 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1jfs s ILE 290 CO 0.03 0.20 0.25 -2.28 -1.23 0.00 0.00 174.94 171.91 1jfs s HIS 291 N 1.18 3.38 -0.20 3.97 5.65 -0.60 -0.17 115.29 128.49 1jfs s HIS 291 Ca 0.36 0.44 -0.13 0.00 0.25 0.00 0.00 55.06 55.98 1jfs s HIS 291 Cb -0.17 -2.34 -0.05 0.00 -1.18 0.00 0.00 32.58 28.84 1jfs s HIS 291 CO 0.16 0.12 0.25 -1.14 -0.65 0.00 0.00 174.74 173.48 1jfs s GLN 292 N 0.87 4.16 -0.65 2.88 2.00 -1.00 -1.63 119.66 126.28 1jfs s GLN 292 Ca 0.13 -0.05 -0.26 0.00 -2.00 0.00 0.00 55.36 53.18 1jfs s GLN 292 Cb -0.13 -3.49 -0.08 0.00 0.80 0.00 0.00 33.01 30.11 1jfs s GLN 292 CO 0.04 0.11 2.26 -1.25 -0.50 0.00 0.00 175.29 175.95 1jfs s PRO 293 N 0.88 2.10 -0.05 1.67 0.05 -1.26 -4.80 135.00 133.59 1jfs s PRO 293 Ca 0.13 0.79 -0.25 0.00 0.05 0.00 0.00 61.00 61.72 1jfs s PRO 293 Cb -0.13 -4.67 -0.23 0.00 0.05 0.00 0.00 34.50 29.52 1jfs s PRO 293 CO 0.04 -3.54 1.03 0.87 0.05 0.00 0.00 177.00 175.45 1jfs h LYS 294 N 15.76 0.16 0.11 4.56 1.57 -1.94 -3.18 116.57 133.60 1jfs h LYS 294 Ca -0.13 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1jfs h LYS 294 Cb 1.14 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1jfs h LYS 294 CO 1.13 0.90 -0.31 -0.44 -0.57 0.00 0.00 179.45 180.16 1jfs h ASP 295 N -0.52 -0.90 0.13 0.86 3.32 -1.88 -1.23 116.42 116.20 1jfs h ASP 295 Ca -0.03 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1jfs h ASP 295 Cb 0.97 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1jfs h ASP 295 CO 0.04 -0.40 -0.02 0.77 -1.72 0.00 0.00 179.24 177.92 1jfs h SER 296 N -0.53 0.00 0.43 6.45 4.64 -1.98 0.45 113.55 123.01 1jfs h SER 296 Ca 0.03 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 1jfs h SER 296 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1jfs h SER 296 CO -0.19 0.02 -0.63 0.25 -0.87 0.00 0.00 176.83 175.41 1jfs h LEU 297 N 0.00 0.22 0.27 5.97 6.46 -1.22 0.60 115.31 127.61 1jfs h LEU 297 Ca -0.00 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1jfs h LEU 297 Cb 0.09 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1jfs h LEU 297 CO 0.00 0.79 -0.13 1.23 -0.62 0.00 0.00 178.44 179.71 1jfs h GLY 298 N 1.58 -0.37 0.42 3.75 0.00 0.34 -2.83 103.07 105.96 1jfs h GLY 298 Ca -0.01 0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.56 1jfs h GLY 298 CO 0.09 -0.14 0.35 -2.09 0.00 0.00 0.00 176.54 174.76 1jfs h GLU 299 N -0.99 0.56 -0.23 4.80 4.81 -1.32 0.67 114.58 122.87 1jfs h GLU 299 Ca -0.04 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1jfs h GLU 299 Cb 0.27 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1jfs h GLU 299 CO 0.06 0.37 -0.04 1.15 -0.73 0.00 0.00 179.01 179.82 1jfs h THR 300 N 0.58 1.17 -0.02 0.32 2.02 -0.99 0.03 112.91 116.03 1jfs h THR 300 Ca 0.36 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1jfs h THR 300 Cb 0.41 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1jfs h THR 300 CO -0.29 0.23 -0.02 0.00 0.37 0.00 0.00 175.52 175.81 1jfs h ALA 301 N 1.62 0.02 0.12 6.16 0.00 -0.69 -2.74 119.26 123.76 1jfs h ALA 301 Ca 0.08 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jfs h ALA 301 Cb 0.30 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1jfs h ALA 301 CO 0.01 -0.20 -0.53 0.35 0.00 0.00 0.00 179.25 178.88 1jfs h PHE 302 N -0.46 -1.54 -0.80 0.00 3.57 -0.80 -2.45 116.94 114.48 1jfs h PHE 302 Ca 0.00 0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.71 1jfs h PHE 302 Cb 0.53 0.66 -0.15 0.00 2.79 0.00 0.00 35.95 39.78 1jfs h PHE 302 CO 0.10 -0.60 -0.15 -0.91 -2.23 0.00 0.00 178.31 174.52 1jfs h ASN 303 N -0.75 -0.66 0.01 0.41 2.35 -1.03 0.28 115.58 116.19 1jfs h ASN 303 Ca -0.01 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1jfs h ASN 303 Cb 0.76 0.47 -0.00 0.00 0.05 0.00 0.00 38.32 39.59 1jfs h ASN 303 CO -0.29 -0.25 -0.01 0.24 -1.65 0.00 0.00 177.43 175.47 1jfs h MET 304 N 0.02 -0.02 0.14 0.81 2.86 -1.18 -1.58 114.93 115.98 1jfs h MET 304 Ca 0.40 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.06 1jfs h MET 304 Cb 0.64 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1jfs h MET 304 CO -0.80 -0.01 -0.42 1.25 1.06 0.00 0.00 176.91 177.99 1jfs h LEU 305 N -0.02 -1.23 -1.15 1.22 5.85 -0.53 -0.96 115.31 118.48 1jfs h LEU 305 Ca 0.00 0.13 0.28 0.00 0.84 0.00 0.00 57.88 59.14 1jfs h LEU 305 Cb 0.02 0.46 -0.12 0.00 0.37 0.00 0.00 40.66 41.39 1jfs h LEU 305 CO -0.00 -0.50 0.63 0.25 -0.34 0.00 0.00 178.44 178.48 1jfs h LEU 306 N -0.67 0.54 0.17 2.25 5.85 -0.34 0.42 115.31 123.53 1jfs h LEU 306 Ca 0.02 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1jfs h LEU 306 Cb 0.69 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1jfs h LEU 306 CO -0.23 0.03 -0.14 -0.78 -0.34 0.00 0.00 178.44 176.99 1jfs h ASP 307 N 0.44 -0.37 -0.96 1.25 -0.00 -0.17 0.54 116.42 117.14 1jfs h ASP 307 Ca 0.66 0.03 0.25 0.00 -0.00 0.00 0.00 57.03 57.97 1jfs h ASP 307 Cb 1.50 0.12 -0.13 0.00 -0.00 0.00 0.00 39.33 40.82 1jfs h ASP 307 CO -0.44 -0.19 0.50 0.03 -0.00 0.00 0.00 179.24 179.14 1jfs h ARG 308 N -0.30 0.42 0.00 0.28 3.08 -0.41 0.42 114.38 117.88 1jfs h ARG 308 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jfs h ARG 308 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1jfs h ARG 308 CO -0.00 0.28 0.00 -0.89 -1.07 0.00 0.00 179.97 178.29 1jfs n ILE 309 N -5.00 0.00 0.05 2.04 5.41 0.13 -1.54 119.36 120.46 1jfs n ILE 309 Ca 0.26 0.72 -0.11 0.00 1.00 0.00 0.00 62.75 64.62 1jfs n ILE 309 Cb 0.77 -1.61 -0.04 0.00 -0.71 0.00 0.00 39.64 38.04 1jfs n ILE 309 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 1jfs h VAL 310 N 0.00 0.44 -0.09 1.39 -1.51 0.30 -1.94 116.25 114.84 1jfs h VAL 310 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1jfs h VAL 310 Cb 0.00 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 29.59 1jfs h VAL 310 CO 0.00 0.00 0.03 0.59 -1.23 0.00 0.00 177.57 176.96 1jfs n ASN 311 N -5.36 2.08 -3.19 4.19 3.02 0.14 -4.87 115.26 111.27 1jfs n ASN 311 Ca -0.05 -2.14 -0.15 0.00 -0.03 0.00 0.00 54.58 52.21 1jfs n ASN 311 Cb 0.28 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 1jfs n ASN 311 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jfs n LYS 312 N 0.15 -0.95 -1.98 3.52 5.02 -0.59 -4.84 118.16 118.49 1jfs n LYS 312 Ca 0.05 0.04 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 1jfs n LYS 312 Cb 0.46 -1.69 0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1jfs n LYS 312 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jfs s ARG 313 N -4.66 2.93 0.00 1.97 3.52 -0.90 -4.96 118.95 116.86 1jfs s ARG 313 Ca 0.09 1.84 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 1jfs s ARG 313 Cb -0.05 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.42 1jfs s ARG 313 CO 0.44 -1.24 0.00 0.39 -0.81 0.00 0.00 175.30 174.08 1jfs n GLU 314 N -1.64 3.09 -2.61 5.12 -0.58 -1.26 -4.74 120.64 118.02 1jfs n GLU 314 Ca 0.14 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.50 1jfs n GLU 314 Cb 0.50 -0.96 -0.05 0.00 -0.57 0.00 0.00 31.44 30.35 1jfs n GLU 314 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1jfs s GLU 315 N -1.93 4.39 -0.11 3.49 2.02 -1.26 -4.99 118.70 120.31 1jfs s GLU 315 Ca 0.00 1.50 -0.30 0.00 0.02 0.00 0.00 54.97 56.19 1jfs s GLU 315 Cb 0.00 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 1jfs s GLU 315 CO 0.00 0.07 1.02 -1.25 0.02 0.00 0.00 175.26 175.12 1jfs s PRO 316 N -2.15 4.40 0.36 0.39 0.04 -1.26 -5.00 135.00 131.77 1jfs s PRO 316 Ca 0.53 1.40 0.06 0.00 0.04 0.00 0.00 61.00 63.03 1jfs s PRO 316 Cb -0.23 -3.55 0.06 0.00 0.04 0.00 0.00 34.50 30.82 1jfs s PRO 316 CO 0.29 -0.35 0.47 0.94 0.04 0.00 0.00 177.00 178.39 1jfs n GLN 317 N 5.14 0.78 -3.64 4.56 7.27 -1.26 -4.98 117.38 125.24 1jfs n GLN 317 Ca 0.09 -1.95 -0.04 0.00 0.07 0.00 0.00 57.00 55.17 1jfs n GLN 317 Cb 0.48 -0.12 -0.07 0.00 2.41 0.00 0.00 30.24 32.95 1jfs n GLN 317 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1jfs s SER 318 N -3.20 -0.51 -0.02 1.69 1.04 -1.25 -2.14 113.70 109.31 1jfs s SER 318 Ca 0.36 0.85 0.02 0.00 0.48 0.00 0.00 55.95 57.65 1jfs s SER 318 Cb -0.03 1.11 0.01 0.00 0.10 0.00 0.00 66.02 67.21 1jfs s SER 318 CO 0.23 -0.14 -0.06 -0.63 0.98 0.00 0.00 173.24 173.63 1jfs s ILE 319 N 1.05 0.53 0.26 -1.02 1.01 -0.80 -4.95 121.20 117.29 1jfs s ILE 319 Ca -0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 1jfs s ILE 319 Cb -0.04 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1jfs s ILE 319 CO -0.13 0.19 0.52 -1.61 0.00 0.00 0.00 174.94 173.91 1jfs s GLU 320 N 0.34 3.64 0.30 2.79 2.02 -1.26 -0.04 118.70 126.49 1jfs s GLU 320 Ca -0.04 -0.01 0.03 0.00 0.02 0.00 0.00 54.97 54.96 1jfs s GLU 320 Cb -0.08 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 1jfs s GLU 320 CO -0.00 0.26 0.09 0.14 0.02 0.00 0.00 175.26 175.77 1jfs s VAL 321 N -2.01 0.82 -0.03 2.63 -7.23 0.38 -4.88 120.40 110.08 1jfs s VAL 321 Ca 0.43 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1jfs s VAL 321 Cb -0.11 -2.68 0.03 0.00 0.56 0.00 0.00 36.38 34.18 1jfs s VAL 321 CO 0.29 0.00 0.06 -1.00 -0.31 0.00 0.00 175.10 174.13 1jfs s HIS 322 N -3.52 -0.03 0.31 2.82 3.76 -1.26 -4.30 115.29 113.07 1jfs s HIS 322 Ca 0.36 0.20 -0.27 0.00 -0.15 0.00 0.00 55.06 55.20 1jfs s HIS 322 Cb 0.08 -0.15 -0.09 0.00 1.11 0.00 0.00 32.58 33.52 1jfs s HIS 322 CO 0.15 -0.09 0.98 -1.25 -0.85 0.00 0.00 174.74 173.68 1jfs s PRO 323 N 0.88 4.58 -0.04 8.40 0.04 -1.26 -4.53 135.00 143.06 1jfs s PRO 323 Ca -0.07 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.44 1jfs s PRO 323 Cb -0.10 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1jfs s PRO 323 CO -0.03 0.25 -0.05 -0.98 0.04 0.00 0.00 177.00 176.23 1jfs s ARG 324 N -1.86 0.88 0.13 4.56 1.70 -0.65 -4.92 118.95 118.78 1jfs s ARG 324 Ca 0.49 -0.13 -0.32 0.00 -0.47 0.00 0.00 55.73 55.30 1jfs s ARG 324 Cb -0.23 -0.86 -0.12 0.00 -0.57 0.00 0.00 34.95 33.18 1jfs s ARG 324 CO 0.29 -0.07 1.77 -0.11 -1.08 0.00 0.00 175.30 176.10 1jfs n LEU 325 N 4.00 3.79 -4.72 -1.89 -0.00 -1.26 -1.56 117.00 115.35 1jfs n LEU 325 Ca -0.25 1.02 -0.35 0.00 -0.00 0.00 0.00 56.01 56.42 1jfs n LEU 325 Cb 0.51 -1.51 -0.09 0.00 -0.00 0.00 0.00 43.42 42.33 1jfs n LEU 325 CO 0.24 0.06 -0.27 -0.63 -0.00 0.00 0.00 177.39 176.79 1jfs s ILE 326 N 2.19 4.62 -0.19 1.96 -1.09 1.00 -4.89 121.20 124.80 1jfs s ILE 326 Ca 0.81 -0.13 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1jfs s ILE 326 Cb -0.55 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1jfs s ILE 326 CO 0.38 0.60 -0.03 -1.61 -1.23 0.00 0.00 174.94 173.04 1jfs s GLU 327 N -0.81 3.55 0.00 2.79 2.02 -1.26 -2.64 118.70 122.35 1jfs s GLU 327 Ca 0.13 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1jfs s GLU 327 Cb -0.12 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1jfs s GLU 327 CO 0.03 0.04 0.00 0.54 0.02 0.00 0.00 175.26 175.89 1jfs n ARG 328 N 4.11 0.00 -0.08 1.61 1.74 -1.26 -4.95 116.66 117.83 1jfs n ARG 328 Ca -0.18 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.93 1jfs n ARG 328 Cb 0.52 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.99 1jfs n ARG 328 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jfs n ARG 329 N 0.00 1.56 -0.18 5.56 1.74 0.14 -4.69 116.66 120.80 1jfs n ARG 329 Ca 0.00 -1.50 0.11 0.00 -0.77 0.00 0.00 57.85 55.68 1jfs n ARG 329 Cb 0.00 -0.96 0.27 0.00 -1.02 0.00 0.00 32.46 30.75 1jfs n ARG 329 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jfs n SER 330 N -0.57 2.74 -4.17 0.55 3.41 -0.89 -4.56 113.62 110.13 1jfs n SER 330 Ca 0.04 -1.91 -0.25 0.00 -0.26 0.00 0.00 58.87 56.49 1jfs n SER 330 Cb 0.46 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 1jfs n SER 330 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jfs s VAL 331 N -1.53 1.43 0.15 -3.33 1.01 -1.26 -1.48 120.40 115.39 1jfs s VAL 331 Ca 0.36 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.64 1jfs s VAL 331 Cb 0.20 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1jfs s VAL 331 CO 0.28 0.41 -0.15 0.00 0.00 0.00 0.00 175.10 175.64 1jfs s ALA 332 N -0.35 1.71 0.32 5.51 0.00 -1.26 -5.00 121.76 122.68 1jfs s ALA 332 Ca 0.05 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.29 1jfs s ALA 332 Cb -0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 23.12 22.83 1jfs s ALA 332 CO -0.00 0.10 1.28 -0.25 0.00 0.00 0.00 175.76 176.89 1jfs n ASP 333 N 0.21 2.60 -4.71 0.00 8.00 -1.26 -4.91 116.55 116.48 1jfs n ASP 333 Ca -0.13 1.19 -0.23 0.00 0.71 0.00 0.00 54.79 56.33 1jfs n ASP 333 Cb 0.58 -1.45 0.10 0.00 -0.02 0.00 0.00 41.12 40.33 1jfs n ASP 333 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jfs s GLY 334 N -0.22 1.76 0.60 0.44 0.00 0.16 -4.91 107.32 105.16 1jfs s GLY 334 Ca 0.58 -1.71 0.29 0.00 0.00 0.00 0.00 44.72 43.88 1jfs s GLY 334 CO 0.60 -1.16 1.95 -2.55 0.00 0.00 0.00 173.10 171.93 1jfs h PRO 335 N -0.47 0.00 -0.50 2.90 0.11 -1.76 -3.02 132.00 129.26 1jfs h PRO 335 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1jfs h PRO 335 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1jfs h PRO 335 CO 0.41 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.39 1jfs n PHE 336 N -3.62 1.06 0.04 0.65 3.01 0.14 -4.72 117.46 114.01 1jfs n PHE 336 Ca 0.05 -0.62 -0.10 0.00 1.01 0.00 0.00 57.45 57.80 1jfs n PHE 336 Cb 0.54 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.78 1jfs n PHE 336 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1jfs h ARG 337 N 3.12 -0.40 0.00 -1.08 1.12 -1.68 -2.59 114.38 112.86 1jfs h ARG 337 Ca 0.00 0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.87 1jfs h ARG 337 Cb 1.21 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 31.26 1jfs h ARG 337 CO 0.15 -0.27 -0.13 -0.44 -3.11 0.00 0.00 179.97 176.17 1jfs h ASP 338 N -0.41 0.00 0.00 -3.80 3.32 -1.87 -2.57 116.42 111.08 1jfs h ASP 338 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1jfs h ASP 338 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1jfs h ASP 338 CO -0.21 0.13 0.00 -1.22 -1.72 0.00 0.00 179.24 176.22 1jfs n TYR 339 N -4.11 0.00 0.30 4.55 4.02 -0.98 -5.24 117.16 115.70 1jfs n TYR 339 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1jfs n TYR 339 Cb 0.21 -0.06 0.03 0.00 -0.02 0.00 0.00 39.34 39.50 1jfs n TYR 339 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39