#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d4a s GLY 2 N 0.00 0.20 -0.00 2.92 0.00 -1.26 -5.02 107.32 104.16 1d4a s GLY 2 Ca 0.00 0.20 0.20 0.00 0.00 0.00 0.00 44.72 45.12 1d4a s GLY 2 CO 0.00 1.06 0.84 0.54 0.00 0.00 0.00 173.10 175.53 1d4a n ARG 3 N 4.80 0.30 -4.68 2.90 1.74 -1.26 -4.93 116.66 115.52 1d4a n ARG 3 Ca -0.14 -0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.60 1d4a n ARG 3 Cb 0.50 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 1d4a n ARG 3 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1d4a s ARG 4 N -2.96 3.36 0.05 5.56 0.52 -1.26 0.75 118.95 124.97 1d4a s ARG 4 Ca 0.07 -0.69 0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1d4a s ARG 4 Cb 0.15 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.94 1d4a s ARG 4 CO 0.84 0.15 -0.21 0.00 0.02 0.00 0.00 175.30 176.11 1d4a s ALA 5 N 0.50 1.77 -0.13 2.13 0.00 -0.04 0.54 121.76 126.52 1d4a s ALA 5 Ca -0.09 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1d4a s ALA 5 Cb -0.16 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.64 1d4a s ALA 5 CO 0.04 0.39 -0.18 -1.17 0.00 0.00 0.00 175.76 174.85 1d4a s LEU 6 N -1.25 1.87 -0.27 0.00 2.96 0.11 -0.91 118.68 121.20 1d4a s LEU 6 Ca 0.07 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1d4a s LEU 6 Cb -0.09 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.36 1d4a s LEU 6 CO 0.02 0.03 0.04 -0.63 -1.32 0.00 0.00 176.35 174.48 1d4a s ILE 7 N 1.01 3.72 -0.31 6.68 1.09 -0.28 -0.75 121.20 132.36 1d4a s ILE 7 Ca -0.05 -0.67 -0.12 0.00 -1.10 0.00 0.00 60.65 58.72 1d4a s ILE 7 Cb -0.15 -2.86 -0.03 0.00 -1.06 0.00 0.00 42.46 38.36 1d4a s ILE 7 CO -0.04 0.18 0.21 -0.69 -0.10 0.00 0.00 174.94 174.51 1d4a s VAL 8 N 1.48 5.25 -0.08 2.92 1.01 0.34 -1.24 120.40 130.08 1d4a s VAL 8 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1d4a s VAL 8 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1d4a s VAL 8 CO 0.00 0.10 -0.08 -0.22 0.00 0.00 0.00 175.10 174.91 1d4a s LEU 9 N 1.73 3.09 -0.59 3.92 2.96 -0.69 -1.02 118.68 128.09 1d4a s LEU 9 Ca 0.06 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 1d4a s LEU 9 Cb -0.17 -1.68 0.21 0.00 0.50 0.00 0.00 46.19 45.05 1d4a s LEU 9 CO 0.10 0.32 0.56 0.00 -1.32 0.00 0.00 176.35 176.02 1d4a n ALA 10 N 2.47 3.39 -3.57 5.97 0.00 -0.71 -2.68 120.51 125.38 1d4a n ALA 10 Ca -0.18 -4.20 -0.11 0.00 0.00 0.00 0.00 53.44 48.95 1d4a n ALA 10 Cb 0.53 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 1d4a n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1d4a s HIS 11 N -1.53 -0.67 -0.39 0.00 5.04 -1.26 -4.48 115.29 112.01 1d4a s HIS 11 Ca 0.33 1.47 0.26 0.00 -1.54 0.00 0.00 55.06 55.59 1d4a s HIS 11 Cb 0.07 0.30 0.80 0.00 0.04 0.00 0.00 32.58 33.79 1d4a s HIS 11 CO -0.11 -0.35 1.76 0.66 -2.34 0.00 0.00 174.74 174.36 1d4a h SER 12 N 6.38 0.00 -3.39 9.88 4.64 -1.99 -3.44 113.55 125.62 1d4a h SER 12 Ca -0.32 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.37 1d4a h SER 12 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 1d4a h SER 12 CO 0.23 0.00 -0.64 -1.61 -0.87 0.00 0.00 176.83 173.94 1d4a s GLU 13 N -3.31 3.71 0.17 4.77 0.41 -1.26 -4.96 118.70 118.23 1d4a s GLU 13 Ca 0.06 -0.48 0.21 0.00 -0.41 0.00 0.00 54.97 54.35 1d4a s GLU 13 Cb 0.08 -3.09 0.86 0.00 -1.78 0.00 0.00 34.13 30.20 1d4a s GLU 13 CO 0.58 0.11 1.63 0.54 -0.49 0.00 0.00 175.26 177.63 1d4a n ARG 14 N 3.98 0.13 0.00 1.61 1.74 -1.26 -2.17 116.66 120.69 1d4a n ARG 14 Ca -0.17 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1d4a n ARG 14 Cb 0.52 -1.74 0.33 0.00 -1.02 0.00 0.00 32.46 30.56 1d4a n ARG 14 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1d4a n THR 15 N -1.98 0.00 -1.41 0.55 -2.24 -1.26 -4.74 114.28 103.20 1d4a n THR 15 Ca 0.03 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1d4a n THR 15 Cb 0.21 0.56 0.11 0.00 -2.10 0.00 0.00 70.33 69.12 1d4a n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1d4a s SER 16 N -2.43 4.00 0.19 3.42 1.04 -0.92 -4.95 113.70 114.05 1d4a s SER 16 Ca 0.25 1.34 -0.00 0.00 0.48 0.00 0.00 55.95 58.02 1d4a s SER 16 Cb 0.19 -2.04 0.11 0.00 0.10 0.00 0.00 66.02 64.38 1d4a s SER 16 CO 0.50 -2.29 1.48 0.15 0.98 0.00 0.00 173.24 174.06 1d4a h PHE 17 N -1.31 0.50 -0.70 5.02 3.57 -1.93 -2.70 116.94 119.40 1d4a h PHE 17 Ca -0.48 -0.21 0.07 0.00 3.53 0.00 0.00 57.97 60.88 1d4a h PHE 17 Cb 1.28 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 1d4a h PHE 17 CO 0.43 0.94 0.38 -0.91 -2.23 0.00 0.00 178.31 176.92 1d4a h ASN 18 N 0.27 0.55 -0.62 0.41 2.35 -1.93 0.44 115.58 117.05 1d4a h ASN 18 Ca -0.02 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1d4a h ASN 18 Cb 1.22 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 1d4a h ASN 18 CO 0.11 0.34 0.17 0.22 -1.65 0.00 0.00 177.43 176.62 1d4a h TYR 19 N 0.68 1.02 -0.45 1.19 3.20 -1.78 -1.16 116.97 119.68 1d4a h TYR 19 Ca 0.32 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.11 1d4a h TYR 19 Cb 0.24 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1d4a h TYR 19 CO -0.08 0.85 0.25 0.00 -1.64 0.00 0.00 178.16 177.53 1d4a h ALA 20 N 1.05 0.57 -1.00 1.82 0.00 -0.78 -1.00 119.26 119.93 1d4a h ALA 20 Ca 0.20 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1d4a h ALA 20 Cb 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1d4a h ALA 20 CO -0.00 -0.09 0.66 0.52 0.00 0.00 0.00 179.25 180.34 1d4a h MET 21 N 0.49 1.28 -0.38 0.00 2.86 0.27 -0.73 114.93 118.73 1d4a h MET 21 Ca 0.19 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1d4a h MET 21 Cb 0.06 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1d4a h MET 21 CO -0.11 0.85 0.03 -0.22 1.06 0.00 0.00 176.91 178.52 1d4a h LYS 22 N 1.32 0.65 -0.48 1.72 3.64 -0.58 -1.38 116.57 121.46 1d4a h LYS 22 Ca 0.37 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1d4a h LYS 22 Cb -0.11 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1d4a h LYS 22 CO -0.09 0.73 0.09 0.93 -2.27 0.00 0.00 179.45 178.84 1d4a h GLU 23 N 0.48 0.74 -0.19 1.90 4.39 -0.80 -0.88 114.58 120.21 1d4a h GLU 23 Ca 0.11 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1d4a h GLU 23 Cb 0.42 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1d4a h GLU 23 CO 0.01 0.69 0.02 0.00 -1.16 0.00 0.00 179.01 178.58 1d4a h ALA 24 N 1.39 0.25 -0.23 3.43 0.00 -0.95 -1.83 119.26 121.33 1d4a h ALA 24 Ca 0.15 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1d4a h ALA 24 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1d4a h ALA 24 CO 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 179.25 179.28 1d4a h ALA 25 N 0.82 0.27 0.02 0.00 0.00 -0.93 0.11 119.26 119.55 1d4a h ALA 25 Ca 0.06 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1d4a h ALA 25 Cb 0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1d4a h ALA 25 CO 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 179.25 178.77 1d4a h ALA 26 N 1.13 -0.23 0.01 0.00 0.00 -1.10 -0.06 119.26 119.01 1d4a h ALA 26 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1d4a h ALA 26 Cb 0.04 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1d4a h ALA 26 CO -0.08 -0.68 -0.06 0.00 0.00 0.00 0.00 179.25 178.43 1d4a h ALA 27 N 0.60 -0.07 -0.23 0.00 0.00 -1.13 -0.92 119.26 117.51 1d4a h ALA 27 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1d4a h ALA 27 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1d4a h ALA 27 CO -0.15 -0.56 0.03 0.00 0.00 0.00 0.00 179.25 178.57 1d4a h ALA 28 N 0.87 0.22 -0.46 0.00 0.00 -0.78 -1.72 119.26 117.38 1d4a h ALA 28 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1d4a h ALA 28 Cb 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1d4a h ALA 28 CO -0.05 -0.39 0.07 -0.07 0.00 0.00 0.00 179.25 178.81 1d4a h LEU 29 N 0.12 0.74 -0.48 0.00 4.07 -0.88 -2.94 115.31 115.93 1d4a h LEU 29 Ca 0.10 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1d4a h LEU 29 Cb 0.11 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 1d4a h LEU 29 CO -0.15 0.81 0.31 0.11 -1.08 0.00 0.00 178.44 178.44 1d4a h LYS 30 N 0.63 0.64 -0.87 1.13 1.57 -1.04 -0.49 116.57 118.14 1d4a h LYS 30 Ca 0.14 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.04 1d4a h LYS 30 Cb 0.39 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.46 1d4a h LYS 30 CO 0.01 0.43 0.45 0.87 -0.57 0.00 0.00 179.45 180.64 1d4a h LYS 31 N 0.65 0.59 -0.45 3.15 1.57 -1.18 0.27 116.57 121.16 1d4a h LYS 31 Ca 0.17 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1d4a h LYS 31 Cb -0.06 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.12 1d4a h LYS 31 CO -0.04 0.39 0.00 1.63 -0.57 0.00 0.00 179.45 180.87 1d4a n LYS 32 N -4.88 1.31 -0.60 3.15 4.76 -0.99 -4.86 118.16 116.05 1d4a n LYS 32 Ca 0.18 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 1d4a n LYS 32 Cb 0.48 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1d4a n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1d4a n GLY 33 N 0.40 0.70 3.83 0.72 0.00 0.93 -5.06 105.19 106.72 1d4a n GLY 33 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1d4a n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1d4a s TRP 34 N -2.05 3.32 -0.34 1.61 0.52 -0.23 -4.98 118.94 116.80 1d4a s TRP 34 Ca 0.00 1.48 -0.12 0.00 0.02 0.00 0.00 56.10 57.48 1d4a s TRP 34 Cb 0.00 -2.85 -0.01 0.00 -1.15 0.00 0.00 33.47 29.46 1d4a s TRP 34 CO 0.00 -0.56 0.21 -2.00 0.02 0.00 0.00 176.95 174.62 1d4a s GLU 35 N -4.04 3.39 -0.17 4.98 2.12 0.23 -4.28 118.70 120.93 1d4a s GLU 35 Ca 0.60 -0.71 -0.05 0.00 0.36 0.00 0.00 54.97 55.17 1d4a s GLU 35 Cb -0.12 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 1d4a s GLU 35 CO 0.32 -0.46 0.01 0.08 -0.54 0.00 0.00 175.26 174.67 1d4a s VAL 36 N 1.68 4.33 0.07 3.70 1.01 -1.26 -0.86 120.40 129.07 1d4a s VAL 36 Ca 0.05 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1d4a s VAL 36 Cb -0.17 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1d4a s VAL 36 CO 0.09 0.48 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 1d4a s VAL 37 N 0.35 2.00 0.11 2.92 1.01 -0.09 -4.99 120.40 121.71 1d4a s VAL 37 Ca -0.01 -1.46 0.09 0.00 0.00 0.00 0.00 61.98 60.60 1d4a s VAL 37 Cb -0.13 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1d4a s VAL 37 CO 0.02 0.20 -0.22 -1.61 0.00 0.00 0.00 175.10 173.48 1d4a s GLU 38 N -1.53 1.19 -0.49 2.72 2.02 -1.26 -1.13 118.70 120.22 1d4a s GLU 38 Ca 0.11 -1.22 0.03 0.00 0.02 0.00 0.00 54.97 53.91 1d4a s GLU 38 Cb -0.10 -1.48 0.16 0.00 0.10 0.00 0.00 34.13 32.81 1d4a s GLU 38 CO 0.03 0.34 0.34 -1.12 0.02 0.00 0.00 175.26 174.88 1d4a s SER 39 N -2.01 2.97 -0.95 -0.19 0.01 -0.38 -4.94 113.70 108.22 1d4a s SER 39 Ca 0.09 -3.08 -0.20 0.00 1.31 0.00 0.00 55.95 54.07 1d4a s SER 39 Cb -0.10 -0.88 0.11 0.00 0.21 0.00 0.00 66.02 65.36 1d4a s SER 39 CO 0.05 -0.19 1.22 -0.62 0.41 0.00 0.00 173.24 174.11 1d4a s ASP 40 N -0.16 6.58 0.21 2.44 -1.08 -1.26 -1.70 116.67 121.69 1d4a s ASP 40 Ca 0.26 -1.84 -0.17 0.00 -0.52 0.00 0.00 52.55 50.28 1d4a s ASP 40 Cb -0.08 -2.45 0.21 0.00 -1.46 0.00 0.00 42.92 39.14 1d4a s ASP 40 CO -0.12 -1.20 1.59 -0.07 0.52 0.00 0.00 175.17 175.88 1d4a h LEU 41 N 11.13 -1.03 -0.56 -1.34 3.38 -1.89 0.18 115.31 125.19 1d4a h LEU 41 Ca 0.16 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1d4a h LEU 41 Cb 1.02 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 1d4a h LEU 41 CO 1.20 -0.28 0.32 1.88 0.09 0.00 0.00 178.44 181.65 1d4a h TYR 42 N -0.08 0.75 0.00 1.13 0.05 -1.85 -1.68 116.97 115.29 1d4a h TYR 42 Ca 0.29 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1d4a h TYR 42 Cb 0.56 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1d4a h TYR 42 CO -0.65 0.54 0.00 0.00 -1.05 0.00 0.00 178.16 177.00 1d4a h ALA 43 N 1.15 1.00 -0.10 3.88 0.00 -1.64 -2.07 119.26 121.48 1d4a h ALA 43 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1d4a h ALA 43 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1d4a h ALA 43 CO -0.03 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.89 1d4a n MET 44 N -2.42 1.91 -3.88 0.00 2.81 0.54 -4.91 117.12 111.18 1d4a n MET 44 Ca 0.03 -1.35 -0.29 0.00 -1.81 0.00 0.00 57.70 54.28 1d4a n MET 44 Cb 0.31 -1.46 0.03 0.00 -0.71 0.00 0.00 33.22 31.39 1d4a n MET 44 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1d4a n ASN 45 N 0.60 -4.65 -4.73 7.83 3.02 -0.78 -4.87 115.26 111.69 1d4a n ASN 45 Ca 0.17 -0.77 -0.42 0.00 -0.03 0.00 0.00 54.58 53.54 1d4a n ASN 45 Cb 0.43 -3.98 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 1d4a n ASN 45 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1d4a s PHE 46 N -3.33 3.04 -0.35 3.10 5.36 -0.69 -5.01 117.98 120.10 1d4a s PHE 46 Ca 0.61 0.83 -0.19 0.00 -0.96 0.00 0.00 56.93 57.22 1d4a s PHE 46 Cb -0.30 -3.87 -0.00 0.00 -0.34 0.00 0.00 43.02 38.50 1d4a s PHE 46 CO 0.82 -3.04 0.55 1.21 -1.46 0.00 0.00 175.22 173.30 1d4a s ASN 47 N 0.78 6.35 0.00 6.13 3.04 -1.26 -4.95 114.94 125.03 1d4a s ASN 47 Ca 0.65 0.04 0.21 0.00 0.04 0.00 0.00 52.86 53.80 1d4a s ASN 47 Cb -0.43 -2.28 0.57 0.00 -1.54 0.00 0.00 41.25 37.57 1d4a s ASN 47 CO 0.37 -0.50 1.46 -0.81 -3.04 0.00 0.00 177.10 174.58 1d4a n PRO 48 N 5.82 2.10 -3.44 0.43 -0.04 -1.26 -4.85 135.00 133.75 1d4a n PRO 48 Ca -0.04 -1.66 -0.40 0.00 -0.04 0.00 0.00 63.50 61.36 1d4a n PRO 48 Cb 0.49 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1d4a n PRO 48 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1d4a s ILE 49 N -1.62 5.21 0.40 0.52 1.01 -1.26 -4.28 121.20 121.17 1d4a s ILE 49 Ca 0.35 0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.94 1d4a s ILE 49 Cb 0.19 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 1d4a s ILE 49 CO 0.28 0.05 1.13 0.27 0.00 0.00 0.00 174.94 176.66 1d4a s ILE 50 N 1.96 3.34 0.15 2.92 -4.36 -1.26 -4.98 121.20 118.97 1d4a s ILE 50 Ca 0.11 1.10 -0.24 0.00 -0.26 0.00 0.00 60.65 61.36 1d4a s ILE 50 Cb -0.16 -3.60 0.08 0.00 1.25 0.00 0.00 42.46 40.02 1d4a s ILE 50 CO 0.11 0.08 1.05 -0.94 0.24 0.00 0.00 174.94 175.48 1d4a s SER 51 N -1.26 -0.06 0.00 4.36 1.04 -1.26 -4.99 113.70 111.53 1d4a s SER 51 Ca 0.57 -0.51 0.13 0.00 0.48 0.00 0.00 55.95 56.62 1d4a s SER 51 Cb -0.28 0.45 0.62 0.00 0.10 0.00 0.00 66.02 66.91 1d4a s SER 51 CO 0.35 -0.86 1.37 -2.11 0.98 0.00 0.00 173.24 172.97 1d4a n ARG 52 N -0.61 0.11 0.00 4.02 1.85 -1.26 -1.74 116.66 119.02 1d4a n ARG 52 Ca -0.04 0.21 0.10 0.00 -1.00 0.00 0.00 57.85 57.11 1d4a n ARG 52 Cb 0.60 -1.50 0.48 0.00 -1.05 0.00 0.00 32.46 30.99 1d4a n ARG 52 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1d4a n LYS 53 N -1.38 0.20 0.04 2.89 5.02 -1.26 -2.18 118.16 121.49 1d4a n LYS 53 Ca 0.05 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.59 1d4a n LYS 53 Cb 0.13 -1.50 0.42 0.00 -0.02 0.00 0.00 35.03 34.06 1d4a n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1d4a n ASP 54 N -1.35 0.44 -4.54 4.39 8.00 -0.71 -4.74 116.55 118.04 1d4a n ASP 54 Ca 0.08 0.34 -0.34 0.00 0.71 0.00 0.00 54.79 55.58 1d4a n ASP 54 Cb 0.18 -0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 40.80 1d4a n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1d4a s ILE 55 N -3.06 3.97 -0.07 0.53 1.09 -0.93 -1.04 121.20 121.70 1d4a s ILE 55 Ca 0.11 -0.34 0.21 0.00 -1.10 0.00 0.00 60.65 59.54 1d4a s ILE 55 Cb 0.16 -2.72 -0.30 0.00 -1.06 0.00 0.00 42.46 38.54 1d4a s ILE 55 CO 0.61 0.52 0.48 0.35 -0.10 0.00 0.00 174.94 176.80 1d4a n THR 56 N 3.24 0.24 0.00 2.92 -2.24 0.85 -4.94 114.28 114.35 1d4a n THR 56 Ca -0.18 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1d4a n THR 56 Cb 0.53 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1d4a n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d4a n GLY 57 N 1.31 -0.03 3.88 3.38 0.00 -1.26 -5.04 105.19 107.44 1d4a n GLY 57 Ca -0.07 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1d4a n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d4a s LYS 58 N 0.00 3.70 0.33 1.61 1.02 -1.26 -5.06 119.74 120.07 1d4a s LYS 58 Ca 0.00 0.07 -0.22 0.00 0.02 0.00 0.00 55.97 55.84 1d4a s LYS 58 Cb 0.00 -2.84 -0.10 0.00 -0.52 0.00 0.00 37.83 34.38 1d4a s LYS 58 CO 0.00 0.45 0.87 -0.51 -0.92 0.00 0.00 175.35 175.24 1d4a s LEU 59 N -2.51 4.21 0.55 3.17 1.43 -1.26 -4.91 118.68 119.35 1d4a s LEU 59 Ca 0.41 1.64 0.33 0.00 -1.03 0.00 0.00 54.13 55.48 1d4a s LEU 59 Cb -0.12 -4.06 1.50 0.00 0.03 0.00 0.00 46.19 43.54 1d4a s LEU 59 CO 0.22 -0.14 2.04 0.50 0.23 0.00 0.00 176.35 179.21 1d4a h LYS 60 N 2.80 0.00 -0.97 1.70 3.64 -1.97 -3.38 116.57 118.39 1d4a h LYS 60 Ca -0.48 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 1d4a h LYS 60 Cb 1.19 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.82 1d4a h LYS 60 CO 0.64 0.06 -0.44 0.34 -2.27 0.00 0.00 179.45 177.77 1d4a s ASP 61 N -5.76 -1.47 0.07 4.20 2.15 -1.26 -5.02 116.67 109.58 1d4a s ASP 61 Ca -0.01 -0.93 0.21 0.00 0.43 0.00 0.00 52.55 52.26 1d4a s ASP 61 Cb 0.11 1.89 0.88 0.00 -0.30 0.00 0.00 42.92 45.49 1d4a s ASP 61 CO 0.54 -0.14 1.67 -2.65 -0.17 0.00 0.00 175.17 174.42 1d4a n PRO 62 N 4.11 0.06 -0.00 4.34 -0.02 -1.26 -3.56 135.00 138.67 1d4a n PRO 62 Ca 0.12 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 1d4a n PRO 62 Cb 0.57 -1.60 -0.09 0.00 -0.02 0.00 0.00 33.50 32.36 1d4a n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d4a h ALA 63 N 2.60 0.00 -3.08 3.55 0.00 -1.97 -3.38 119.26 116.99 1d4a h ALA 63 Ca 0.00 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 54.10 1d4a h ALA 63 Cb 0.39 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.78 1d4a h ALA 63 CO 0.00 -0.31 -0.72 1.21 0.00 0.00 0.00 179.25 179.43 1d4a s ASN 64 N -5.58 3.81 0.05 0.00 2.47 -1.23 -5.10 114.94 109.35 1d4a s ASN 64 Ca -0.15 -2.59 -0.31 0.00 0.42 0.00 0.00 52.86 50.23 1d4a s ASN 64 Cb 0.03 -1.13 -0.05 0.00 -1.45 0.00 0.00 41.25 38.64 1d4a s ASN 64 CO 0.67 -0.28 1.19 0.12 -3.72 0.00 0.00 177.10 175.09 1d4a s PHE 65 N 0.38 3.42 -0.25 0.43 5.36 -1.24 -4.89 117.98 121.20 1d4a s PHE 65 Ca 0.17 1.30 -0.01 0.00 -0.96 0.00 0.00 56.93 57.43 1d4a s PHE 65 Cb -0.24 -3.41 0.07 0.00 -0.34 0.00 0.00 43.02 39.10 1d4a s PHE 65 CO -0.02 -1.25 0.03 -0.65 -1.46 0.00 0.00 175.22 171.88 1d4a s GLN 66 N 1.15 0.97 0.22 10.12 -0.21 -1.26 -5.05 119.66 125.60 1d4a s GLN 66 Ca 0.58 -0.84 -0.11 0.00 0.02 0.00 0.00 55.36 55.01 1d4a s GLN 66 Cb -0.29 -2.25 0.30 0.00 1.00 0.00 0.00 33.01 31.78 1d4a s GLN 66 CO 0.29 -0.75 1.63 -0.92 -2.12 0.00 0.00 175.29 173.42 1d4a h TYR 67 N 8.09 -0.22 -0.00 0.91 3.20 -1.98 -2.32 116.97 124.65 1d4a h TYR 67 Ca -0.15 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.80 1d4a h TYR 67 Cb 1.07 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 1d4a h TYR 67 CO 0.37 -0.25 -0.30 -1.35 -1.64 0.00 0.00 178.16 174.99 1d4a h PRO 68 N 0.04 -0.43 -0.50 1.82 0.11 -1.99 -0.45 132.00 130.60 1d4a h PRO 68 Ca 0.34 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.37 1d4a h PRO 68 Cb 0.55 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1d4a h PRO 68 CO -0.65 -0.29 -0.11 0.00 -0.21 0.00 0.00 178.00 176.74 1d4a h ALA 69 N 0.31 0.69 -0.30 -0.75 0.00 -1.97 -2.69 119.26 114.55 1d4a h ALA 69 Ca 0.06 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 1d4a h ALA 69 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1d4a h ALA 69 CO -0.26 0.60 -0.42 0.93 0.00 0.00 0.00 179.25 180.10 1d4a h GLU 70 N 0.82 0.73 0.00 0.00 4.39 -1.32 -2.43 114.58 116.78 1d4a h GLU 70 Ca 0.13 -0.39 -0.14 0.00 0.34 0.00 0.00 59.36 59.30 1d4a h GLU 70 Cb 0.67 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1d4a h GLU 70 CO 0.05 1.01 -0.65 0.66 -1.16 0.00 0.00 179.01 178.93 1d4a h SER 71 N 0.60 0.00 -0.34 1.42 4.64 -1.11 -1.10 113.55 117.65 1d4a h SER 71 Ca 0.04 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 1d4a h SER 71 Cb 0.97 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1d4a h SER 71 CO 0.09 0.65 -0.36 0.58 -0.87 0.00 0.00 176.83 176.92 1d4a h VAL 72 N 0.00 1.28 -0.66 0.95 2.07 -1.42 -1.39 116.25 117.08 1d4a h VAL 72 Ca -0.01 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 65.90 1d4a h VAL 72 Cb 1.15 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1d4a h VAL 72 CO 0.08 0.50 0.10 0.25 0.02 0.00 0.00 177.57 178.52 1d4a h LEU 73 N 0.62 1.04 -0.74 2.57 5.85 -1.29 -2.37 115.31 121.00 1d4a h LEU 73 Ca 0.05 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.45 1d4a h LEU 73 Cb 0.95 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1d4a h LEU 73 CO 0.09 1.04 0.16 0.00 -0.34 0.00 0.00 178.44 179.39 1d4a h ALA 74 N 1.08 0.96 -0.67 1.25 0.00 -1.07 -0.37 119.26 120.44 1d4a h ALA 74 Ca 0.20 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1d4a h ALA 74 Cb 0.45 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1d4a h ALA 74 CO 0.01 0.66 0.28 -0.92 0.00 0.00 0.00 179.25 179.29 1d4a h TYR 75 N 1.06 1.00 -0.30 0.00 3.20 -0.98 0.48 116.97 121.44 1d4a h TYR 75 Ca 0.22 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 1d4a h TYR 75 Cb 0.38 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1d4a h TYR 75 CO 0.03 0.77 -0.17 0.87 -1.64 0.00 0.00 178.16 178.03 1d4a h LYS 76 N 0.94 0.63 -0.07 1.82 1.57 -1.09 -3.15 116.57 117.22 1d4a h LYS 76 Ca 0.22 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1d4a h LYS 76 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1d4a h LYS 76 CO -0.02 0.87 0.00 0.39 -0.57 0.00 0.00 179.45 180.12 1d4a n GLU 77 N -4.38 1.60 -2.96 3.15 -0.58 -0.18 -4.95 120.64 112.34 1d4a n GLU 77 Ca -0.03 -0.88 -0.10 0.00 -0.42 0.00 0.00 57.16 55.72 1d4a n GLU 77 Cb 0.39 -1.44 0.04 0.00 -0.57 0.00 0.00 31.44 29.86 1d4a n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d4a n GLY 78 N 1.12 0.28 1.31 0.62 0.00 0.17 -4.98 105.19 103.70 1d4a n GLY 78 Ca 0.18 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 1d4a n GLY 78 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d4a n HIS 79 N -3.52 1.36 -3.38 1.61 8.25 0.15 -5.00 115.22 114.68 1d4a n HIS 79 Ca -0.01 -1.84 -0.30 0.00 -0.26 0.00 0.00 57.72 55.32 1d4a n HIS 79 Cb 0.53 -0.45 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 1d4a n HIS 79 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1d4a s LEU 80 N -3.38 4.10 0.49 2.41 1.43 -1.25 -0.10 118.68 122.37 1d4a s LEU 80 Ca 0.46 0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 54.08 1d4a s LEU 80 Cb 0.41 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 1d4a s LEU 80 CO -0.01 -0.15 1.10 -1.20 0.23 0.00 0.00 176.35 176.32 1d4a n SER 81 N -0.68 1.59 -0.03 2.29 7.64 -0.20 -4.77 113.62 119.47 1d4a n SER 81 Ca -0.01 0.98 0.15 0.00 1.01 0.00 0.00 58.87 61.00 1d4a n SER 81 Cb 0.53 -1.43 0.59 0.00 -1.01 0.00 0.00 64.21 62.90 1d4a n SER 81 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1d4a h PRO 82 N 1.34 0.19 -0.24 1.43 0.13 -1.96 -2.03 132.00 130.87 1d4a h PRO 82 Ca -0.47 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1d4a h PRO 82 Cb 1.33 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1d4a h PRO 82 CO 0.56 0.13 -0.50 0.38 -0.23 0.00 0.00 178.00 178.33 1d4a h ASP 83 N 0.20 0.72 -0.33 1.44 2.03 -2.00 -2.43 116.42 116.05 1d4a h ASP 83 Ca 0.25 -0.37 -0.08 0.00 -0.73 0.00 0.00 57.03 56.11 1d4a h ASP 83 Cb 0.73 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 39.01 1d4a h ASP 83 CO -0.04 1.10 -0.10 0.40 -1.03 0.00 0.00 179.24 179.57 1d4a h ILE 84 N 0.52 1.28 -0.68 4.15 2.04 -1.74 -2.54 117.51 120.54 1d4a h ILE 84 Ca 0.02 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.76 1d4a h ILE 84 Cb 1.06 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1d4a h ILE 84 CO 0.10 0.38 0.40 0.58 0.00 0.00 0.00 178.15 179.61 1d4a h VAL 85 N 0.43 1.03 -0.67 1.67 2.07 -1.38 0.38 116.25 119.77 1d4a h VAL 85 Ca 0.08 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1d4a h VAL 85 Cb 0.60 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1d4a h VAL 85 CO 0.04 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.94 1d4a h ALA 86 N 1.32 1.04 -0.20 1.67 0.00 -1.35 -0.12 119.26 121.61 1d4a h ALA 86 Ca 0.29 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1d4a h ALA 86 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1d4a h ALA 86 CO -0.14 0.64 -0.55 0.93 0.00 0.00 0.00 179.25 180.12 1d4a h GLU 87 N 1.01 0.60 -0.39 0.00 4.39 -1.01 -2.26 114.58 116.92 1d4a h GLU 87 Ca 0.22 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 1d4a h GLU 87 Cb 0.33 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1d4a h GLU 87 CO -0.00 0.99 -0.11 1.96 -1.16 0.00 0.00 179.01 180.69 1d4a h GLN 88 N 0.46 0.69 -0.50 2.33 4.20 -0.58 -1.45 115.11 120.25 1d4a h GLN 88 Ca 0.01 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.42 1d4a h GLN 88 Cb 1.10 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1d4a h GLN 88 CO 0.11 0.78 -0.03 0.87 -0.67 0.00 0.00 178.83 179.89 1d4a h LYS 89 N 0.63 0.86 -0.19 1.46 1.57 -0.85 -0.74 116.57 119.31 1d4a h LYS 89 Ca 0.11 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1d4a h LYS 89 Cb 0.55 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1d4a h LYS 89 CO 0.03 0.88 0.05 0.87 -0.57 0.00 0.00 179.45 180.72 1d4a h LYS 90 N 0.79 0.31 -0.66 3.15 1.57 -1.03 -2.81 116.57 117.90 1d4a h LYS 90 Ca 0.15 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1d4a h LYS 90 Cb 0.52 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1d4a h LYS 90 CO 0.03 0.42 0.32 -0.07 -0.57 0.00 0.00 179.45 179.58 1d4a h LEU 91 N 0.13 0.86 -1.30 2.94 3.38 -1.10 -2.36 115.31 117.86 1d4a h LEU 91 Ca 0.06 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1d4a h LEU 91 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1d4a h LEU 91 CO -0.00 0.75 0.43 -0.08 0.09 0.00 0.00 178.44 179.62 1d4a h GLU 92 N 0.91 0.90 0.07 1.13 4.57 -1.08 -2.89 114.58 118.18 1d4a h GLU 92 Ca 0.23 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 58.10 1d4a h GLU 92 Cb 0.11 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1d4a h GLU 92 CO -0.03 0.61 -1.09 0.00 -1.18 0.00 0.00 179.01 177.33 1d4a h ALA 93 N 1.55 0.26 -2.88 2.92 0.00 -1.33 -3.47 119.26 116.31 1d4a h ALA 93 Ca 0.24 -0.82 -0.53 0.00 0.00 0.00 0.00 54.91 53.81 1d4a h ALA 93 Cb -0.07 -0.03 0.08 0.00 0.00 0.00 0.00 17.79 17.77 1d4a h ALA 93 CO -0.05 0.95 0.63 0.00 0.00 0.00 0.00 179.25 180.78 1d4a s ALA 94 N -2.90 3.30 -0.21 0.00 0.00 -0.90 -4.78 121.76 116.27 1d4a s ALA 94 Ca -0.04 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1d4a s ALA 94 Cb 0.08 -3.50 -0.20 0.00 0.00 0.00 0.00 23.12 19.50 1d4a s ALA 94 CO 0.86 -0.83 -0.01 -0.25 0.00 0.00 0.00 175.76 175.53 1d4a n ASP 95 N 0.20 1.75 -4.20 0.00 8.00 0.19 -4.91 116.55 117.58 1d4a n ASP 95 Ca 0.03 -0.01 -0.27 0.00 0.71 0.00 0.00 54.79 55.25 1d4a n ASP 95 Cb 0.43 -0.35 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 1d4a n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1d4a s LEU 96 N -6.52 2.01 -0.12 0.64 2.96 -0.87 -1.31 118.68 115.48 1d4a s LEU 96 Ca -0.28 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1d4a s LEU 96 Cb 0.08 -1.05 0.02 0.00 0.50 0.00 0.00 46.19 45.74 1d4a s LEU 96 CO 0.68 0.23 -0.13 -0.69 -1.32 0.00 0.00 176.35 175.12 1d4a s VAL 97 N -0.34 1.36 -0.16 1.68 1.01 -0.34 -0.71 120.40 122.89 1d4a s VAL 97 Ca 0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1d4a s VAL 97 Cb -0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1d4a s VAL 97 CO 0.00 0.42 -0.02 -0.63 0.00 0.00 0.00 175.10 174.87 1d4a s ILE 98 N 1.30 4.09 -0.39 2.22 1.01 0.07 -1.31 121.20 128.19 1d4a s ILE 98 Ca -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 1d4a s ILE 98 Cb -0.14 -2.80 0.08 0.00 0.01 0.00 0.00 42.46 39.61 1d4a s ILE 98 CO -0.06 0.49 0.19 -0.36 0.00 0.00 0.00 174.94 175.20 1d4a s PHE 99 N 0.34 3.38 -0.30 3.97 0.08 -0.26 -0.51 117.98 124.68 1d4a s PHE 99 Ca -0.03 -1.80 -0.13 0.00 0.12 0.00 0.00 56.93 55.10 1d4a s PHE 99 Cb -0.14 -2.81 -0.03 0.00 -0.57 0.00 0.00 43.02 39.47 1d4a s PHE 99 CO 0.02 -0.86 0.26 -1.14 -0.10 0.00 0.00 175.22 173.40 1d4a s GLN 100 N 1.32 3.78 0.04 0.44 2.00 -0.19 -0.90 119.66 126.15 1d4a s GLN 100 Ca 0.02 -0.37 -0.27 0.00 -2.00 0.00 0.00 55.36 52.75 1d4a s GLN 100 Cb -0.22 -3.72 0.09 0.00 0.80 0.00 0.00 33.01 29.96 1d4a s GLN 100 CO 0.00 -0.32 0.78 -0.59 -0.50 0.00 0.00 175.29 174.66 1d4a s PHE 101 N 1.84 -0.43 0.20 1.67 -0.71 -0.75 -1.74 117.98 118.06 1d4a s PHE 101 Ca 0.09 0.32 -0.18 0.00 -1.04 0.00 0.00 56.93 56.11 1d4a s PHE 101 Cb -0.16 0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 1d4a s PHE 101 CO 0.11 -0.65 0.67 -1.25 -1.34 0.00 0.00 175.22 172.76 1d4a s PRO 102 N -3.15 4.18 0.06 1.99 0.04 -1.26 -2.28 135.00 134.57 1d4a s PRO 102 Ca 0.02 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 1d4a s PRO 102 Cb -0.01 -2.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.55 1d4a s PRO 102 CO -0.09 0.43 1.45 -1.17 0.04 0.00 0.00 177.00 177.65 1d4a s LEU 103 N -1.93 4.35 -0.17 -3.56 2.96 0.13 -4.50 118.68 115.95 1d4a s LEU 103 Ca 0.41 2.27 -0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1d4a s LEU 103 Cb -0.16 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.00 1d4a s LEU 103 CO 0.20 -0.73 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.35 1d4a s GLN 104 N 1.96 1.50 -1.18 1.98 -0.21 -0.41 -4.81 119.66 118.49 1d4a s GLN 104 Ca 0.66 -0.54 -0.17 0.00 0.02 0.00 0.00 55.36 55.33 1d4a s GLN 104 Cb -0.35 -2.04 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 1d4a s GLN 104 CO 0.29 -0.43 0.74 0.91 -2.12 0.00 0.00 175.29 174.68 1d4a n TRP 105 N 4.86 -1.87 -1.96 0.91 7.02 -1.26 -1.83 117.44 123.30 1d4a n TRP 105 Ca -0.12 0.50 -0.16 0.00 -1.02 0.00 0.00 57.50 56.70 1d4a n TRP 105 Cb 0.48 -3.52 -0.04 0.00 -2.42 0.00 0.00 31.31 25.81 1d4a n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1d4a n PHE 106 N -4.22 -0.76 -2.56 -5.99 3.01 -1.26 -4.87 117.46 100.81 1d4a n PHE 106 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1d4a n PHE 106 Cb 0.61 -3.09 0.00 0.00 -0.01 0.00 0.00 39.48 36.99 1d4a n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1d4a n GLY 107 N -0.61 2.57 3.86 1.37 0.00 -0.76 -4.95 105.19 106.68 1d4a n GLY 107 Ca -0.17 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 1d4a n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d4a s VAL 108 N -2.94 4.70 0.61 1.61 -7.23 -1.26 -1.28 120.40 114.61 1d4a s VAL 108 Ca 0.00 0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 60.80 1d4a s VAL 108 Cb 0.00 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.19 1d4a s VAL 108 CO 0.00 -0.56 1.33 -2.84 -0.31 0.00 0.00 175.10 172.72 1d4a s PRO 109 N -3.88 2.77 0.27 4.82 0.02 -1.26 -4.70 135.00 133.04 1d4a s PRO 109 Ca 0.54 2.15 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 1d4a s PRO 109 Cb -0.10 -2.01 0.59 0.00 0.02 0.00 0.00 34.50 33.00 1d4a s PRO 109 CO 0.31 -1.45 1.71 0.00 -0.33 0.00 0.00 177.00 177.23 1d4a h ALA 110 N 0.90 1.22 -0.37 -1.55 0.00 -1.95 0.41 119.26 117.92 1d4a h ALA 110 Ca -0.51 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1d4a h ALA 110 Cb 1.32 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1d4a h ALA 110 CO 0.55 -0.29 0.19 0.97 0.00 0.00 0.00 179.25 180.67 1d4a h ILE 111 N 0.40 1.13 0.14 0.00 2.10 -1.95 -0.57 117.51 118.75 1d4a h ILE 111 Ca 0.49 -0.35 -0.28 0.00 1.08 0.00 0.00 64.86 65.79 1d4a h ILE 111 Cb 0.84 0.64 0.01 0.00 -1.09 0.00 0.00 36.82 37.23 1d4a h ILE 111 CO -0.48 0.15 -1.26 0.25 -1.08 0.00 0.00 178.15 175.72 1d4a h LEU 112 N 0.52 0.50 -1.09 2.19 5.85 -1.33 -2.48 115.31 119.47 1d4a h LEU 112 Ca 0.13 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1d4a h LEU 112 Cb 0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1d4a h LEU 112 CO -0.02 1.41 0.45 0.50 -0.34 0.00 0.00 178.44 180.43 1d4a h LYS 113 N 0.10 1.08 -0.17 1.25 1.63 -0.62 -1.72 116.57 118.12 1d4a h LYS 113 Ca -0.15 -0.11 -0.10 0.00 -0.85 0.00 0.00 60.65 59.44 1d4a h LYS 113 Cb 1.98 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 33.38 1d4a h LYS 113 CO 0.21 0.77 -0.33 0.78 -3.45 0.00 0.00 179.45 177.44 1d4a h GLY 114 N 1.12 0.38 0.99 5.01 0.00 -1.10 -2.09 103.07 107.36 1d4a h GLY 114 Ca 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1d4a h GLY 114 CO -0.05 0.30 0.30 -0.25 0.00 0.00 0.00 176.54 176.84 1d4a h TRP 115 N 0.30 0.81 -0.21 5.60 7.01 -0.85 -1.06 115.95 127.56 1d4a h TRP 115 Ca 0.04 -0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1d4a h TRP 115 Cb 0.72 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 1d4a h TRP 115 CO 0.02 0.61 0.06 0.74 -2.79 0.00 0.00 178.44 177.07 1d4a h PHE 116 N 0.79 0.34 -0.94 2.65 0.04 -1.16 -0.29 116.94 118.37 1d4a h PHE 116 Ca 0.20 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.96 1d4a h PHE 116 Cb 0.08 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 1d4a h PHE 116 CO -0.01 0.43 0.62 0.93 -0.60 0.00 0.00 178.31 179.67 1d4a h GLU 117 N 0.16 1.18 0.00 1.51 5.08 -1.09 -0.05 114.58 121.37 1d4a h GLU 117 Ca 0.07 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1d4a h GLU 117 Cb 0.25 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1d4a h GLU 117 CO -0.00 0.78 -1.18 0.00 -1.00 0.00 0.00 179.01 177.61 1d4a h ARG 118 N 1.21 0.00 0.06 2.33 3.08 -1.16 -3.40 114.38 116.50 1d4a h ARG 118 Ca 0.37 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 60.06 1d4a h ARG 118 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1d4a h ARG 118 CO -0.11 0.41 -2.00 0.28 -1.07 0.00 0.00 179.97 177.49 1d4a n VAL 119 N -3.02 1.63 -1.65 2.04 0.31 -0.12 -4.58 118.33 112.94 1d4a n VAL 119 Ca -0.07 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 63.39 1d4a n VAL 119 Cb 0.84 -1.76 -0.01 0.00 -0.91 0.00 0.00 33.84 32.00 1d4a n VAL 119 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1d4a n PHE 120 N -3.75 3.33 -2.76 3.52 3.01 -0.04 -4.82 117.46 115.95 1d4a n PHE 120 Ca -0.38 -2.90 -0.34 0.00 1.01 0.00 0.00 57.45 54.84 1d4a n PHE 120 Cb 0.93 -2.49 -0.06 0.00 -0.01 0.00 0.00 39.48 37.85 1d4a n PHE 120 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1d4a s ILE 121 N 3.25 4.24 0.73 4.37 -1.09 -1.26 -4.77 121.20 126.67 1d4a s ILE 121 Ca 0.49 1.49 -0.16 0.00 -2.23 0.00 0.00 60.65 60.25 1d4a s ILE 121 Cb 0.14 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1d4a s ILE 121 CO -0.07 -0.21 1.13 0.61 -1.23 0.00 0.00 174.94 175.17 1d4a n GLY 122 N -0.33 -0.03 4.22 6.18 0.00 -1.26 -0.78 105.19 113.18 1d4a n GLY 122 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1d4a n GLY 122 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1d4a n GLU 123 N -2.37 0.00 -0.07 1.61 -0.58 0.21 -4.57 120.64 114.87 1d4a n GLU 123 Ca 0.14 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.80 1d4a n GLU 123 Cb 0.49 -0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.30 1d4a n GLU 123 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1d4a h PHE 124 N 0.00 0.00 0.00 -0.32 3.57 -1.85 -3.41 116.94 114.93 1d4a h PHE 124 Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1d4a h PHE 124 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1d4a h PHE 124 CO 0.00 0.53 -1.81 0.00 -2.23 0.00 0.00 178.31 174.80 1d4a n ALA 125 N -2.88 2.49 -3.71 2.41 0.00 0.04 -4.79 120.51 114.07 1d4a n ALA 125 Ca -0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.70 1d4a n ALA 125 Cb 0.28 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 1d4a n ALA 125 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1d4a s TYR 126 N -3.29 -0.29 -0.16 0.00 1.13 -1.25 -4.29 117.35 109.20 1d4a s TYR 126 Ca -0.06 -0.07 -0.10 0.00 -1.41 0.00 0.00 57.07 55.43 1d4a s TYR 126 Cb 0.12 0.65 0.05 0.00 -1.10 0.00 0.00 41.96 41.68 1d4a s TYR 126 CO 0.87 -1.06 0.39 0.95 -2.51 0.00 0.00 175.55 174.19 1d4a s THR 127 N -3.78 -0.02 0.49 -3.49 -4.23 -1.26 0.63 115.64 103.98 1d4a s THR 127 Ca 0.08 0.07 0.40 0.00 -1.18 0.00 0.00 61.69 61.06 1d4a s THR 127 Cb -0.04 -0.58 0.42 0.00 1.34 0.00 0.00 72.50 73.64 1d4a s THR 127 CO 0.00 0.03 2.24 1.88 -0.54 0.00 0.00 174.62 178.23 1d4a h TYR 128 N 6.74 0.00 -0.27 3.99 -1.99 -1.99 -1.70 116.97 121.75 1d4a h TYR 128 Ca -0.35 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.22 1d4a h TYR 128 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 1d4a h TYR 128 CO 0.29 0.01 -0.49 0.00 -0.00 0.00 0.00 178.16 177.98 1d4a h ALA 129 N 1.99 0.42 -2.22 3.88 0.00 -1.97 -3.35 119.26 118.01 1d4a h ALA 129 Ca -0.00 -0.49 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1d4a h ALA 129 Cb 0.17 -0.07 -0.42 0.00 0.00 0.00 0.00 17.79 17.47 1d4a h ALA 129 CO 0.00 0.59 -0.68 0.00 0.00 0.00 0.00 179.25 179.16 1d4a n ALA 130 N -2.55 4.19 -1.34 0.00 0.00 -0.67 -5.07 120.51 115.07 1d4a n ALA 130 Ca -0.05 -4.59 -0.29 0.00 0.00 0.00 0.00 53.44 48.51 1d4a n ALA 130 Cb 0.59 -0.81 0.14 0.00 0.00 0.00 0.00 19.45 19.38 1d4a n ALA 130 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1d4a s MET 131 N -2.95 1.03 0.00 0.00 1.00 -1.00 -2.00 119.30 115.39 1d4a s MET 131 Ca 0.45 0.53 0.00 0.00 0.00 0.00 0.00 55.69 56.66 1d4a s MET 131 Cb 0.23 -1.81 0.00 0.00 0.00 0.00 0.00 34.83 33.26 1d4a s MET 131 CO -0.09 -2.32 0.00 0.66 0.00 0.00 0.00 175.02 173.27 1d4a n TYR 132 N -3.89 0.00 -0.35 -0.03 4.01 -0.46 -2.02 117.16 114.41 1d4a n TYR 132 Ca 0.06 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.87 1d4a n TYR 132 Cb 0.57 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.76 1d4a n TYR 132 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1d4a n ASP 133 N 3.41 -0.33 -1.44 7.72 9.92 -1.26 -0.79 116.55 133.79 1d4a n ASP 133 Ca 0.00 1.69 0.06 0.00 -0.53 0.00 0.00 54.79 56.01 1d4a n ASP 133 Cb 0.00 -0.52 0.29 0.00 -0.64 0.00 0.00 41.12 40.25 1d4a n ASP 133 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1d4a n LYS 134 N -5.59 3.59 -1.04 -1.24 5.02 -0.86 -4.80 118.16 113.25 1d4a n LYS 134 Ca 0.16 -2.29 -0.30 0.00 -2.02 0.00 0.00 58.31 53.86 1d4a n LYS 134 Cb 0.52 -1.94 0.15 0.00 -0.02 0.00 0.00 35.03 33.73 1d4a n LYS 134 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1d4a s GLY 135 N -0.67 1.64 0.49 0.72 0.00 0.03 -4.69 107.32 104.83 1d4a s GLY 135 Ca 0.40 0.13 0.22 0.00 0.00 0.00 0.00 44.72 45.48 1d4a s GLY 135 CO 0.15 0.60 1.95 -2.55 0.00 0.00 0.00 173.10 173.25 1d4a h PRO 136 N -1.65 0.16 -0.72 2.90 0.11 -1.64 -2.48 132.00 128.68 1d4a h PRO 136 Ca -0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1d4a h PRO 136 Cb 1.27 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1d4a h PRO 136 CO 0.51 0.11 0.15 1.19 -0.21 0.00 0.00 178.00 179.74 1d4a n PHE 137 N -4.41 2.09 0.33 0.65 3.72 -0.22 -4.54 117.46 115.08 1d4a n PHE 137 Ca 0.13 -0.91 0.21 0.00 -0.05 0.00 0.00 57.45 56.83 1d4a n PHE 137 Cb 0.63 -0.57 1.14 0.00 -0.94 0.00 0.00 39.48 39.74 1d4a n PHE 137 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1d4a h ARG 138 N 2.91 0.00 -0.64 -1.08 0.11 -1.37 0.69 114.38 114.99 1d4a h ARG 138 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.22 1d4a h ARG 138 Cb 2.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.12 1d4a h ARG 138 CO 0.58 0.00 0.00 0.43 0.10 0.00 0.00 179.97 181.08 1d4a n SER 139 N -3.25 3.79 -4.54 0.08 7.64 -1.26 -4.72 113.62 111.36 1d4a n SER 139 Ca -0.03 -2.19 -0.24 0.00 1.01 0.00 0.00 58.87 57.43 1d4a n SER 139 Cb 0.08 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.71 1d4a n SER 139 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1d4a s LYS 140 N -1.47 1.89 0.03 1.43 1.02 0.23 -4.96 119.74 117.92 1d4a s LYS 140 Ca 0.43 -1.68 0.07 0.00 0.02 0.00 0.00 55.97 54.82 1d4a s LYS 140 Cb 0.25 -1.89 -0.02 0.00 -0.52 0.00 0.00 37.83 35.65 1d4a s LYS 140 CO 0.25 0.32 -0.21 0.15 -0.92 0.00 0.00 175.35 174.94 1d4a s LYS 141 N -3.58 1.47 0.12 1.68 1.02 -0.42 -2.21 119.74 117.81 1d4a s LYS 141 Ca 0.31 -0.92 0.06 0.00 0.02 0.00 0.00 55.97 55.44 1d4a s LYS 141 Cb -0.05 -1.56 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1d4a s LYS 141 CO 0.17 0.40 -0.14 0.00 -0.92 0.00 0.00 175.35 174.86 1d4a s ALA 142 N -0.74 1.49 -0.10 5.17 0.00 -0.38 -1.20 121.76 125.99 1d4a s ALA 142 Ca 0.08 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 1d4a s ALA 142 Cb -0.09 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1d4a s ALA 142 CO 0.01 0.12 0.26 0.08 0.00 0.00 0.00 175.76 176.23 1d4a s VAL 143 N -2.05 -0.00 -0.22 0.00 1.01 -0.43 -1.32 120.40 117.38 1d4a s VAL 143 Ca 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1d4a s VAL 143 Cb -0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1d4a s VAL 143 CO 0.03 0.00 0.11 -0.76 0.00 0.00 0.00 175.10 174.48 1d4a s LEU 144 N 0.23 3.86 -0.33 3.92 1.43 -1.26 -1.11 118.68 125.42 1d4a s LEU 144 Ca -0.01 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1d4a s LEU 144 Cb -0.02 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.25 1d4a s LEU 144 CO -0.00 0.07 0.06 -0.55 0.23 0.00 0.00 176.35 176.16 1d4a s SER 145 N 0.99 5.01 0.01 2.29 0.15 -0.08 -0.26 113.70 121.80 1d4a s SER 145 Ca 0.06 -1.52 0.06 0.00 0.70 0.00 0.00 55.95 55.25 1d4a s SER 145 Cb -0.14 -1.75 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1d4a s SER 145 CO 0.03 -0.35 -0.19 -0.63 1.20 0.00 0.00 173.24 173.31 1d4a s ILE 146 N 1.21 2.70 0.10 6.45 1.01 0.19 -1.81 121.20 131.05 1d4a s ILE 146 Ca -0.01 -1.06 0.09 0.00 0.00 0.00 0.00 60.65 59.68 1d4a s ILE 146 Cb -0.21 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1d4a s ILE 146 CO -0.02 0.45 -0.20 0.42 0.00 0.00 0.00 174.94 175.59 1d4a s THR 147 N -0.81 2.68 0.11 2.92 -4.23 -0.97 -1.11 115.64 114.23 1d4a s THR 147 Ca 0.13 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1d4a s THR 147 Cb -0.10 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1d4a s THR 147 CO 0.03 0.15 -0.02 0.42 -0.54 0.00 0.00 174.62 174.65 1d4a s THR 148 N -1.07 0.49 -0.06 3.99 -4.23 -0.98 0.17 115.64 113.95 1d4a s THR 148 Ca 0.16 -1.91 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 1d4a s THR 148 Cb -0.10 -1.79 -0.30 0.00 1.34 0.00 0.00 72.50 71.65 1d4a s THR 148 CO 0.08 -0.76 0.69 1.23 -0.54 0.00 0.00 174.62 175.32 1d4a h GLY 149 N 2.94 0.41 -1.75 3.99 0.00 -1.91 -2.32 103.07 104.43 1d4a h GLY 149 Ca -0.35 -1.05 -0.49 0.00 0.00 0.00 0.00 47.33 45.43 1d4a h GLY 149 CO 0.64 0.92 0.38 -0.32 0.00 0.00 0.00 176.54 178.16 1d4a s GLY 150 N -4.95 2.16 0.74 4.60 0.00 -1.26 -3.88 107.32 104.73 1d4a s GLY 150 Ca -0.16 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.88 1d4a s GLY 150 CO 0.84 0.76 1.10 -1.35 0.00 0.00 0.00 173.10 174.45 1d4a s SER 151 N -2.70 5.13 0.25 1.64 1.04 -1.26 -1.36 113.70 116.44 1d4a s SER 151 Ca 0.64 1.16 -0.06 0.00 0.48 0.00 0.00 55.95 58.18 1d4a s SER 151 Cb -0.17 -1.92 0.29 0.00 0.10 0.00 0.00 66.02 64.32 1d4a s SER 151 CO 0.37 -1.55 1.90 1.23 0.98 0.00 0.00 173.24 176.17 1d4a h GLY 152 N -0.80 1.38 2.00 7.32 0.00 -1.96 -2.19 103.07 108.82 1d4a h GLY 152 Ca -0.46 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.36 1d4a h GLY 152 CO 0.63 0.43 -0.13 1.48 0.00 0.00 0.00 176.54 178.95 1d4a h SER 153 N 1.23 0.00 0.40 0.19 4.64 -1.97 -0.33 113.55 117.71 1d4a h SER 153 Ca 0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1d4a h SER 153 Cb -0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1d4a h SER 153 CO -0.11 0.13 -0.09 0.24 -0.87 0.00 0.00 176.83 176.13 1d4a h MET 154 N 0.00 0.00 -0.35 4.77 2.07 -1.77 -2.59 114.93 117.07 1d4a h MET 154 Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1d4a h MET 154 Cb 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 1d4a h MET 154 CO 0.02 0.09 0.00 0.66 1.07 0.00 0.00 176.91 178.75 1d4a n TYR 155 N -3.50 1.12 -2.50 -0.22 4.01 -0.15 -2.09 117.16 113.82 1d4a n TYR 155 Ca -0.02 -0.79 -0.24 0.00 -0.16 0.00 0.00 57.90 56.69 1d4a n TYR 155 Cb 0.22 -0.31 0.11 0.00 -0.31 0.00 0.00 39.34 39.06 1d4a n TYR 155 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1d4a s SER 156 N -1.57 4.23 0.56 7.72 1.04 -0.98 -2.01 113.70 122.70 1d4a s SER 156 Ca 0.43 -0.27 0.25 0.00 0.48 0.00 0.00 55.95 56.84 1d4a s SER 156 Cb 0.33 -0.09 1.57 0.00 0.10 0.00 0.00 66.02 67.93 1d4a s SER 156 CO 0.12 -1.95 2.16 -0.07 0.98 0.00 0.00 173.24 174.48 1d4a h LEU 157 N -0.65 0.00 -1.99 2.42 3.38 -1.88 -1.53 115.31 115.06 1d4a h LEU 157 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1d4a h LEU 157 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1d4a h LEU 157 CO 0.41 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1d4a n GLN 158 N -4.10 1.83 -2.03 1.13 3.00 -1.26 -4.71 117.38 111.24 1d4a n GLN 158 Ca -0.01 -1.78 -0.33 0.00 -0.01 0.00 0.00 57.00 54.87 1d4a n GLN 158 Cb 0.19 -1.37 0.01 0.00 0.00 0.00 0.00 30.24 29.08 1d4a n GLN 158 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1d4a s GLY 159 N -1.36 2.15 0.57 1.08 0.00 -0.58 -4.96 107.32 104.22 1d4a s GLY 159 Ca 0.25 0.42 0.35 0.00 0.00 0.00 0.00 44.72 45.74 1d4a s GLY 159 CO 0.23 0.75 2.11 1.19 0.00 0.00 0.00 173.10 177.38 1d4a h ILE 160 N 0.44 0.19 0.00 0.90 2.10 -1.80 -1.89 117.51 117.44 1d4a h ILE 160 Ca -0.47 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.07 1d4a h ILE 160 Cb 1.22 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 38.29 1d4a h ILE 160 CO 0.57 0.04 -0.70 0.45 -1.08 0.00 0.00 178.15 177.43 1d4a h HIS 161 N 0.00 0.00 0.00 2.19 3.86 -1.77 -3.50 115.15 115.92 1d4a h HIS 161 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1d4a h HIS 161 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1d4a h HIS 161 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1d4a n GLY 162 N 1.20 -0.16 3.66 2.45 0.00 -0.71 -4.95 105.19 106.68 1d4a n GLY 162 Ca 0.02 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1d4a n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d4a n ASP 163 N -0.36 4.06 0.24 1.61 2.03 -1.23 -4.04 116.55 118.86 1d4a n ASP 163 Ca 0.00 0.91 0.06 0.00 0.52 0.00 0.00 54.79 56.29 1d4a n ASP 163 Cb 0.00 -1.50 0.56 0.00 -0.72 0.00 0.00 41.12 39.46 1d4a n ASP 163 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 1d4a h MET 164 N 10.34 0.01 -0.25 -0.67 1.85 -1.70 -2.14 114.93 122.36 1d4a h MET 164 Ca -0.50 -0.00 0.06 0.00 -0.61 0.00 0.00 59.70 58.65 1d4a h MET 164 Cb 1.24 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.26 1d4a h MET 164 CO 0.94 0.11 0.18 -0.91 -0.40 0.00 0.00 176.91 176.83 1d4a h ASN 165 N 0.01 0.06 -0.11 1.39 2.35 -1.90 -0.68 115.58 116.69 1d4a h ASN 165 Ca 0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 1d4a h ASN 165 Cb 0.18 -0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.55 1d4a h ASN 165 CO 0.01 0.04 -0.79 0.58 -1.65 0.00 0.00 177.43 175.62 1d4a h VAL 166 N 0.06 1.28 -0.58 2.81 2.07 -1.78 -2.70 116.25 117.41 1d4a h VAL 166 Ca 0.12 -2.00 -0.09 0.00 0.82 0.00 0.00 66.70 65.54 1d4a h VAL 166 Cb 0.39 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1d4a h VAL 166 CO -0.01 0.63 -0.00 0.40 0.02 0.00 0.00 177.57 178.61 1d4a h ILE 167 N 0.52 1.26 0.00 4.57 2.04 -1.28 -3.01 117.51 121.60 1d4a h ILE 167 Ca -0.06 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1d4a h ILE 167 Cb 1.42 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1d4a h ILE 167 CO 0.16 0.41 -0.20 -0.07 0.00 0.00 0.00 178.15 178.45 1d4a h LEU 168 N 0.93 0.00 0.18 1.44 3.38 -1.18 -3.37 115.31 116.69 1d4a h LEU 168 Ca 0.17 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1d4a h LEU 168 Cb 0.54 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1d4a h LEU 168 CO 0.03 0.20 -0.44 -0.25 0.09 0.00 0.00 178.44 178.07 1d4a h TRP 169 N 0.00 -1.22 -1.02 1.13 2.91 -1.34 -1.64 115.95 114.77 1d4a h TRP 169 Ca -0.00 0.03 0.25 0.00 1.13 0.00 0.00 58.89 60.29 1d4a h TRP 169 Cb 0.87 0.51 -0.11 0.00 -0.51 0.00 0.00 29.16 29.92 1d4a h TRP 169 CO 0.00 -0.54 0.62 -1.35 -1.03 0.00 0.00 178.44 176.14 1d4a h PRO 170 N -0.71 0.51 0.06 2.65 0.11 -1.74 0.86 132.00 133.74 1d4a h PRO 170 Ca 0.01 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1d4a h PRO 170 Cb 0.71 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1d4a h PRO 170 CO -0.21 0.34 -0.03 0.82 -0.21 0.00 0.00 178.00 178.71 1d4a h ILE 171 N 0.53 0.70 -0.35 4.15 2.04 -1.75 -2.31 117.51 120.52 1d4a h ILE 171 Ca 0.62 -1.40 -0.12 0.00 1.00 0.00 0.00 64.86 64.96 1d4a h ILE 171 Cb 1.30 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1d4a h ILE 171 CO -0.40 0.22 -0.27 1.56 0.00 0.00 0.00 178.15 179.26 1d4a h GLN 172 N -0.98 0.72 0.00 2.37 4.20 -1.11 -1.71 115.11 118.60 1d4a h GLN 172 Ca -0.01 -0.31 -0.15 0.00 0.06 0.00 0.00 58.65 58.24 1d4a h GLN 172 Cb 0.43 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1d4a h GLN 172 CO 0.01 0.92 -1.05 0.45 -0.67 0.00 0.00 178.83 178.49 1d4a n SER 173 N -4.09 1.85 0.25 1.46 2.88 0.28 -1.05 113.62 115.20 1d4a n SER 173 Ca -0.00 0.50 0.09 0.00 -1.33 0.00 0.00 58.87 58.12 1d4a n SER 173 Cb 0.46 -0.91 0.64 0.00 -0.75 0.00 0.00 64.21 63.65 1d4a n SER 173 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1d4a h GLY 174 N -1.00 0.00 0.00 0.46 0.00 -1.40 -2.29 103.07 98.84 1d4a h GLY 174 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1d4a h GLY 174 CO -0.14 0.00 -0.53 1.39 0.00 0.00 0.00 176.54 177.26 1d4a n ILE 175 N -4.00 1.25 0.25 2.60 5.41 -0.72 -4.60 119.36 119.56 1d4a n ILE 175 Ca -0.02 0.25 -0.10 0.00 1.00 0.00 0.00 62.75 63.88 1d4a n ILE 175 Cb 0.22 -1.86 -0.05 0.00 -0.71 0.00 0.00 39.64 37.25 1d4a n ILE 175 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1d4a h LEU 176 N -0.39 -0.57 -1.59 1.39 3.38 -1.46 -3.24 115.31 112.83 1d4a h LEU 176 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1d4a h LEU 176 Cb 0.49 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1d4a h LEU 176 CO -0.02 -0.26 -0.14 -0.74 0.09 0.00 0.00 178.44 177.37 1d4a h HIS 177 N -0.96 0.09 -0.50 1.13 2.76 -1.16 -2.33 115.15 114.19 1d4a h HIS 177 Ca -0.07 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.17 1d4a h HIS 177 Cb 0.51 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 1d4a h HIS 177 CO 0.03 0.23 0.33 0.35 -1.30 0.00 0.00 177.93 177.58 1d4a h PHE 178 N 0.09 0.38 -0.01 5.26 3.57 -1.49 0.20 116.94 124.94 1d4a h PHE 178 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1d4a h PHE 178 Cb 0.30 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1d4a h PHE 178 CO 0.00 0.20 -0.05 0.00 -2.23 0.00 0.00 178.31 176.22 1d4a n GLY 180 N 1.18 2.16 3.65 0.00 0.00 0.06 -1.05 105.19 111.19 1d4a n GLY 180 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1d4a n GLY 180 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d4a n PHE 181 N -0.89 1.76 -3.23 1.61 3.72 -1.12 -3.08 117.46 116.23 1d4a n PHE 181 Ca 0.00 0.60 -0.39 0.00 -0.05 0.00 0.00 57.45 57.61 1d4a n PHE 181 Cb 0.00 -2.33 -0.06 0.00 -0.94 0.00 0.00 39.48 36.15 1d4a n PHE 181 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1d4a s GLN 182 N -1.83 4.28 -0.22 -1.08 -0.21 -0.94 -4.21 119.66 115.44 1d4a s GLN 182 Ca 0.58 0.51 -0.09 0.00 0.02 0.00 0.00 55.36 56.38 1d4a s GLN 182 Cb -0.60 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 1d4a s GLN 182 CO 0.60 -0.03 0.11 0.08 -2.12 0.00 0.00 175.29 173.93 1d4a s VAL 183 N 1.22 4.95 0.58 1.09 1.01 -1.26 -1.25 120.40 126.73 1d4a s VAL 183 Ca 0.27 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1d4a s VAL 183 Cb -0.16 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.96 1d4a s VAL 183 CO 0.11 0.39 0.86 -0.76 0.00 0.00 0.00 175.10 175.70 1d4a s LEU 184 N 0.88 3.23 0.26 3.92 1.43 -0.44 0.34 118.68 128.30 1d4a s LEU 184 Ca 0.05 0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 53.32 1d4a s LEU 184 Cb -0.13 -3.29 -0.12 0.00 0.03 0.00 0.00 46.19 42.68 1d4a s LEU 184 CO 0.03 -1.11 1.55 -0.62 0.23 0.00 0.00 176.35 176.42 1d4a n GLU 185 N -2.52 2.48 -2.34 1.70 1.02 -1.26 -4.68 120.64 115.04 1d4a n GLU 185 Ca 0.05 0.89 -0.35 0.00 -0.02 0.00 0.00 57.16 57.72 1d4a n GLU 185 Cb 0.58 -2.64 -0.01 0.00 -0.02 0.00 0.00 31.44 29.36 1d4a n GLU 185 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1d4a s PRO 186 N -0.24 3.62 -0.37 3.49 0.04 -1.26 -4.72 135.00 135.55 1d4a s PRO 186 Ca 0.67 1.59 -0.20 0.00 0.04 0.00 0.00 61.00 63.11 1d4a s PRO 186 Cb -0.55 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 31.82 1d4a s PRO 186 CO 0.47 -0.63 0.59 -1.14 0.04 0.00 0.00 177.00 176.32 1d4a s GLN 187 N -3.06 3.56 -0.33 4.56 2.00 0.64 -4.99 119.66 122.04 1d4a s GLN 187 Ca 0.68 -0.14 -0.05 0.00 -2.00 0.00 0.00 55.36 53.85 1d4a s GLN 187 Cb -0.23 -3.84 0.04 0.00 0.80 0.00 0.00 33.01 29.78 1d4a s GLN 187 CO 0.27 -0.76 0.08 -0.51 -0.50 0.00 0.00 175.29 173.87 1d4a s LEU 188 N 2.60 4.23 -0.41 3.68 1.43 -1.26 -0.64 118.68 128.30 1d4a s LEU 188 Ca 0.22 -1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 52.08 1d4a s LEU 188 Cb -0.15 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.34 1d4a s LEU 188 CO 0.15 -0.31 0.22 0.42 0.23 0.00 0.00 176.35 177.05 1d4a s THR 189 N 1.36 3.56 0.65 5.49 -4.23 -0.27 -5.02 115.64 117.18 1d4a s THR 189 Ca -0.02 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.53 1d4a s THR 189 Cb -0.20 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 1d4a s THR 189 CO 0.02 -0.62 1.04 -0.31 -0.54 0.00 0.00 174.62 174.21 1d4a s TYR 190 N 1.23 3.42 -0.74 3.99 2.02 -1.26 -2.31 117.35 123.70 1d4a s TYR 190 Ca 0.06 1.33 -0.11 0.00 -0.37 0.00 0.00 57.07 57.97 1d4a s TYR 190 Cb -0.23 -2.80 0.02 0.00 -0.40 0.00 0.00 41.96 38.55 1d4a s TYR 190 CO -0.02 -0.92 0.20 -1.13 -1.57 0.00 0.00 175.55 172.11 1d4a n SER 191 N -2.90 -1.00 0.19 2.29 3.41 -0.46 -4.77 113.62 110.37 1d4a n SER 191 Ca 0.07 -0.71 0.14 0.00 -0.26 0.00 0.00 58.87 58.11 1d4a n SER 191 Cb 0.54 -0.86 0.67 0.00 -0.26 0.00 0.00 64.21 64.30 1d4a n SER 191 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1d4a h ILE 192 N -0.24 0.00 -0.00 -1.33 6.09 -1.65 -1.78 117.51 118.59 1d4a h ILE 192 Ca -0.38 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1d4a h ILE 192 Cb 0.76 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.83 1d4a h ILE 192 CO 0.33 0.00 -0.16 0.61 -3.07 0.00 0.00 178.15 175.86 1d4a n GLY 193 N -0.79 -0.88 0.52 8.18 0.00 -1.26 -3.67 105.19 107.28 1d4a n GLY 193 Ca -0.01 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1d4a n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d4a n HIS 194 N -0.91 0.00 -3.91 1.61 8.25 -0.67 -5.02 115.22 114.57 1d4a n HIS 194 Ca 0.13 -1.05 -0.36 0.00 -0.26 0.00 0.00 57.72 56.18 1d4a n HIS 194 Cb 0.30 -0.18 -0.13 0.00 1.12 0.00 0.00 29.99 31.10 1d4a n HIS 194 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1d4a s THR 195 N -2.39 4.01 0.59 1.59 2.01 -1.22 -5.09 115.64 115.13 1d4a s THR 195 Ca 0.32 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.85 1d4a s THR 195 Cb 0.30 -2.84 -0.06 0.00 0.01 0.00 0.00 72.50 69.91 1d4a s THR 195 CO -0.04 0.39 0.83 -2.65 -0.69 0.00 0.00 174.62 172.47 1d4a n PRO 196 N 4.61 0.78 -0.28 4.92 -0.02 -1.26 -4.69 135.00 139.05 1d4a n PRO 196 Ca -0.17 0.30 0.24 0.00 -2.02 0.00 0.00 63.50 61.86 1d4a n PRO 196 Cb 0.51 -2.03 0.58 0.00 -0.02 0.00 0.00 33.50 32.54 1d4a n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d4a h ALA 197 N 0.41 2.45 -0.29 3.55 0.00 -2.00 -0.39 119.26 122.98 1d4a h ALA 197 Ca -0.48 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1d4a h ALA 197 Cb 1.37 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1d4a h ALA 197 CO 0.50 -0.79 -0.33 0.38 0.00 0.00 0.00 179.25 179.01 1d4a h ASP 198 N 0.28 0.80 0.18 0.00 3.04 -2.01 -3.13 116.42 115.57 1d4a h ASP 198 Ca 0.53 -0.48 -0.14 0.00 -3.24 0.00 0.00 57.03 53.70 1d4a h ASP 198 Cb 1.55 -0.23 -0.01 0.00 -1.04 0.00 0.00 39.33 39.61 1d4a h ASP 198 CO -0.18 1.12 -0.51 0.00 -2.04 0.00 0.00 179.24 177.64 1d4a h ALA 199 N 0.70 0.88 -0.09 4.15 0.00 -1.43 -3.12 119.26 120.35 1d4a h ALA 199 Ca 0.04 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1d4a h ALA 199 Cb 0.91 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1d4a h ALA 199 CO 0.08 0.67 -0.44 0.00 0.00 0.00 0.00 179.25 179.56 1d4a h ARG 200 N 0.29 0.21 -0.43 0.00 3.08 -1.41 -2.40 114.38 113.72 1d4a h ARG 200 Ca 0.01 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 1d4a h ARG 200 Cb 0.99 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 1d4a h ARG 200 CO 0.09 0.62 -0.11 0.82 -1.07 0.00 0.00 179.97 180.31 1d4a h ILE 201 N 0.17 1.26 -0.12 2.04 2.04 -1.48 -1.87 117.51 119.55 1d4a h ILE 201 Ca 0.01 -1.16 -0.15 0.00 1.00 0.00 0.00 64.86 64.56 1d4a h ILE 201 Cb 0.86 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 1d4a h ILE 201 CO 0.07 0.39 -0.59 -0.61 0.00 0.00 0.00 178.15 177.41 1d4a h GLN 202 N 0.69 0.38 -0.23 2.37 5.75 -1.51 -1.64 115.11 120.93 1d4a h GLN 202 Ca 0.12 -0.25 0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1d4a h GLN 202 Cb 0.58 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 1d4a h GLN 202 CO 0.04 0.86 0.04 0.82 -2.65 0.00 0.00 178.83 177.93 1d4a h ILE 203 N 0.28 0.89 -0.42 2.39 2.04 -0.92 1.19 117.51 122.96 1d4a h ILE 203 Ca -0.00 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1d4a h ILE 203 Cb 1.11 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1d4a h ILE 203 CO 0.10 0.02 0.25 -0.07 0.00 0.00 0.00 178.15 178.45 1d4a h LEU 204 N 0.12 0.40 -0.87 1.44 3.38 -1.21 0.86 115.31 119.43 1d4a h LEU 204 Ca 0.10 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1d4a h LEU 204 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1d4a h LEU 204 CO -0.14 0.29 -0.09 -0.33 0.09 0.00 0.00 178.44 178.25 1d4a h GLU 205 N 0.50 0.74 -0.65 1.13 4.39 -0.51 -1.18 114.58 119.00 1d4a h GLU 205 Ca 0.17 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1d4a h GLU 205 Cb 0.01 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 1d4a h GLU 205 CO -0.08 0.81 0.12 0.78 -1.16 0.00 0.00 179.01 179.48 1d4a h GLY 206 N 0.97 1.15 0.81 -3.84 0.00 0.21 -0.74 103.07 101.63 1d4a h GLY 206 Ca 0.12 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1d4a h GLY 206 CO 0.03 0.70 -0.04 -0.25 0.00 0.00 0.00 176.54 176.99 1d4a h TRP 207 N 0.99 -0.10 -0.87 5.60 -0.00 -0.59 -2.25 115.95 118.73 1d4a h TRP 207 Ca 0.20 -0.00 0.09 0.00 -0.00 0.00 0.00 58.89 59.17 1d4a h TRP 207 Cb 0.42 0.03 -0.07 0.00 -0.00 0.00 0.00 29.16 29.54 1d4a h TRP 207 CO 0.03 0.11 0.52 0.87 -0.00 0.00 0.00 178.44 179.97 1d4a h LYS 208 N -0.29 0.87 -0.71 2.65 1.57 -1.04 -1.78 116.57 117.84 1d4a h LYS 208 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1d4a h LYS 208 Cb 0.25 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1d4a h LYS 208 CO 0.02 0.58 0.19 -0.22 -0.57 0.00 0.00 179.45 179.45 1d4a h LYS 209 N 0.90 1.11 -0.72 3.15 3.11 -1.03 -2.92 116.57 120.17 1d4a h LYS 209 Ca 0.40 -0.25 -0.03 0.00 -2.81 0.00 0.00 60.65 57.96 1d4a h LYS 209 Cb 0.30 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.35 1d4a h LYS 209 CO -0.22 0.96 0.32 -0.09 -2.81 0.00 0.00 179.45 177.62 1d4a h ARG 210 N 1.06 1.06 0.00 1.90 2.43 -0.73 -2.50 114.38 117.61 1d4a h ARG 210 Ca 0.23 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1d4a h ARG 210 Cb 0.34 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1d4a h ARG 210 CO -0.00 0.85 0.00 -0.07 -1.51 0.00 0.00 179.97 179.23 1d4a h LEU 211 N 1.02 0.00 -1.83 3.80 3.38 -1.19 -2.42 115.31 118.07 1d4a h LEU 211 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1d4a h LEU 211 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1d4a h LEU 211 CO -0.03 0.00 -0.13 -0.33 0.09 0.00 0.00 178.44 178.05 1d4a h GLU 212 N 0.00 0.00 0.00 1.13 5.08 -1.43 -3.14 114.58 116.23 1d4a h GLU 212 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1d4a h GLU 212 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1d4a h GLU 212 CO 0.00 0.13 -0.35 0.09 -1.00 0.00 0.00 179.01 177.88 1d4a n ASN 213 N -3.58 0.69 -0.32 1.42 3.02 -1.01 -4.89 115.26 110.59 1d4a n ASN 213 Ca -0.02 -2.30 0.16 0.00 -0.03 0.00 0.00 54.58 52.39 1d4a n ASN 213 Cb 0.26 -0.26 0.39 0.00 -0.61 0.00 0.00 39.78 39.56 1d4a n ASN 213 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1d4a h ILE 214 N 4.88 0.68 0.00 2.41 6.09 -1.39 -2.27 117.51 127.91 1d4a h ILE 214 Ca 0.00 -0.22 -0.05 0.00 -1.37 0.00 0.00 64.86 63.22 1d4a h ILE 214 Cb 1.27 -0.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 1d4a h ILE 214 CO 0.00 0.12 -0.23 -0.25 -3.07 0.00 0.00 178.15 174.72 1d4a h TRP 215 N 0.64 0.00 -0.44 2.19 2.91 -1.90 -2.72 115.95 116.63 1d4a h TRP 215 Ca 0.55 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.57 1d4a h TRP 215 Cb 1.03 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.68 1d4a h TRP 215 CO -0.00 0.23 0.00 -0.25 -1.03 0.00 0.00 178.44 177.39 1d4a n ASP 216 N -3.81 3.82 -4.82 2.65 8.00 -0.85 -4.94 116.55 116.59 1d4a n ASP 216 Ca -0.02 -2.44 -0.33 0.00 0.71 0.00 0.00 54.79 52.72 1d4a n ASP 216 Cb 0.33 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 1d4a n ASP 216 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1d4a s GLU 217 N -1.93 3.96 -0.17 -1.24 2.02 -1.03 -5.02 118.70 115.30 1d4a s GLU 217 Ca 0.37 1.12 -0.29 0.00 0.02 0.00 0.00 54.97 56.19 1d4a s GLU 217 Cb 0.26 -2.13 -0.00 0.00 0.10 0.00 0.00 34.13 32.35 1d4a s GLU 217 CO 0.15 -0.27 1.01 -0.08 0.02 0.00 0.00 175.26 176.10 1d4a s THR 218 N -2.32 4.74 0.84 3.63 -1.32 -1.26 -5.03 115.64 114.92 1d4a s THR 218 Ca 0.62 2.01 -0.12 0.00 -1.21 0.00 0.00 61.69 63.00 1d4a s THR 218 Cb -0.11 -4.30 0.09 0.00 -1.51 0.00 0.00 72.50 66.67 1d4a s THR 218 CO 0.23 -0.08 1.10 -2.16 -2.21 0.00 0.00 174.62 171.49 1d4a s PRO 219 N 2.59 1.73 0.74 7.08 0.04 -1.26 -4.62 135.00 141.31 1d4a s PRO 219 Ca 0.46 0.67 -0.13 0.00 0.04 0.00 0.00 61.00 62.03 1d4a s PRO 219 Cb -0.17 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.55 1d4a s PRO 219 CO 0.12 -1.87 1.15 -0.51 0.04 0.00 0.00 177.00 175.92 1d4a s LEU 220 N -5.94 3.21 -0.20 -3.56 1.43 0.15 -4.51 118.68 109.25 1d4a s LEU 220 Ca 0.62 2.12 -0.15 0.00 -1.03 0.00 0.00 54.13 55.69 1d4a s LEU 220 Cb -0.16 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 1d4a s LEU 220 CO 0.55 -2.16 0.36 -0.47 0.23 0.00 0.00 176.35 174.86 1d4a s TYR 221 N -2.37 3.37 0.01 0.29 5.04 -1.26 -4.77 117.35 117.66 1d4a s TYR 221 Ca 0.68 0.56 0.06 0.00 -2.44 0.00 0.00 57.07 55.93 1d4a s TYR 221 Cb -0.23 -2.48 -0.02 0.00 0.35 0.00 0.00 41.96 39.58 1d4a s TYR 221 CO 0.48 0.02 -0.18 -0.06 -1.34 0.00 0.00 175.55 174.47 1d4a s PHE 222 N 1.21 1.59 0.20 4.97 0.08 -1.26 -4.91 117.98 119.86 1d4a s PHE 222 Ca 0.17 -0.33 -0.33 0.00 0.12 0.00 0.00 56.93 56.57 1d4a s PHE 222 Cb -0.14 -0.99 -0.13 0.00 -0.57 0.00 0.00 43.02 41.19 1d4a s PHE 222 CO 0.07 0.02 1.61 0.00 -0.10 0.00 0.00 175.22 176.82 1d4a n ALA 223 N 2.30 1.98 -1.73 5.36 0.00 -1.26 -4.93 120.51 122.23 1d4a n ALA 223 Ca -0.16 0.42 -0.36 0.00 0.00 0.00 0.00 53.44 53.34 1d4a n ALA 223 Cb 0.54 -2.42 0.03 0.00 0.00 0.00 0.00 19.45 17.60 1d4a n ALA 223 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1d4a s PRO 224 N 0.71 3.02 0.21 0.00 0.02 -1.26 -4.89 135.00 132.80 1d4a s PRO 224 Ca 0.75 1.75 0.22 0.00 0.02 0.00 0.00 61.00 63.73 1d4a s PRO 224 Cb -0.60 -1.94 0.91 0.00 0.02 0.00 0.00 34.50 32.89 1d4a s PRO 224 CO 0.38 -1.15 1.65 -1.13 -0.33 0.00 0.00 177.00 176.43 1d4a n SER 225 N -1.61 0.53 0.20 2.53 3.41 -1.26 -2.32 113.62 115.10 1d4a n SER 225 Ca 0.13 0.64 0.15 0.00 -0.26 0.00 0.00 58.87 59.52 1d4a n SER 225 Cb 0.50 -0.75 0.64 0.00 -0.26 0.00 0.00 64.21 64.34 1d4a n SER 225 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1d4a h SER 226 N 0.00 0.00 -0.01 4.04 4.64 -2.01 -2.46 113.55 117.76 1d4a h SER 226 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d4a h SER 226 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1d4a h SER 226 CO 0.00 0.00 -0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1d4a n LEU 227 N -2.58 0.86 -4.33 5.97 4.77 -0.98 -4.88 117.00 115.82 1d4a n LEU 227 Ca 0.01 -0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 55.45 1d4a n LEU 227 Cb 0.21 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 1d4a n LEU 227 CO 0.20 0.14 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.52 1d4a s PHE 228 N -2.00 1.98 -0.79 -1.77 0.40 -0.93 -0.60 117.98 114.26 1d4a s PHE 228 Ca 0.42 -0.41 -0.22 0.00 -0.60 0.00 0.00 56.93 56.12 1d4a s PHE 228 Cb 0.21 -1.05 0.08 0.00 0.51 0.00 0.00 43.02 42.78 1d4a s PHE 228 CO 0.35 0.29 1.09 -0.51 0.70 0.00 0.00 175.22 177.14 1d4a s ASP 229 N -2.17 6.35 -1.04 1.36 1.01 -0.43 -4.79 116.67 116.96 1d4a s ASP 229 Ca 0.11 -1.34 -0.13 0.00 0.71 0.00 0.00 52.55 51.91 1d4a s ASP 229 Cb -0.09 -2.44 -0.08 0.00 1.01 0.00 0.00 42.92 41.32 1d4a s ASP 229 CO 0.06 -1.36 2.18 0.18 0.21 0.00 0.00 175.17 176.44 1d4a n LEU 230 N 7.57 5.45 -3.65 1.23 4.77 -1.26 -3.15 117.00 127.95 1d4a n LEU 230 Ca 0.09 -3.26 -0.14 0.00 -0.03 0.00 0.00 56.01 52.67 1d4a n LEU 230 Cb 0.47 -1.24 -0.08 0.00 -2.33 0.00 0.00 43.42 40.25 1d4a n LEU 230 CO 0.60 0.57 0.33 0.54 -1.33 0.00 0.00 177.39 178.10 1d4a s ASN 231 N 3.73 -0.66 0.48 -1.43 2.20 -1.26 -4.99 114.94 113.01 1d4a s ASN 231 Ca 0.50 1.24 0.30 0.00 -0.94 0.00 0.00 52.86 53.97 1d4a s ASN 231 Cb 0.13 1.25 1.39 0.00 -2.00 0.00 0.00 41.25 42.03 1d4a s ASN 231 CO 0.00 -0.24 1.74 -0.26 -2.94 0.00 0.00 177.10 175.41 1d4a h PHE 232 N 5.02 0.32 -0.05 1.54 0.04 -1.94 0.35 116.94 122.23 1d4a h PHE 232 Ca -0.28 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.50 1d4a h PHE 232 Cb 1.16 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 39.22 1d4a h PHE 232 CO 0.39 -0.02 0.03 0.37 -0.60 0.00 0.00 178.31 178.49 1d4a h GLN 233 N 0.15 0.07 0.00 1.51 5.75 -1.95 -2.77 115.11 117.87 1d4a h GLN 233 Ca 0.65 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.14 1d4a h GLN 233 Cb 2.18 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.72 1d4a h GLN 233 CO -0.18 0.11 0.00 0.00 -2.65 0.00 0.00 178.83 176.11 1d4a n ALA 234 N -2.14 2.31 -0.99 3.38 0.00 0.11 -4.91 120.51 118.26 1d4a n ALA 234 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1d4a n ALA 234 Cb 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1d4a n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d4a n GLY 235 N 1.43 0.61 3.12 0.00 0.00 -0.14 -3.61 105.19 106.60 1d4a n GLY 235 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1d4a n GLY 235 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d4a n PHE 236 N -2.65 -2.17 -3.21 1.61 3.01 -1.19 -4.99 117.46 107.88 1d4a n PHE 236 Ca 0.00 0.70 -0.22 0.00 1.01 0.00 0.00 57.45 58.94 1d4a n PHE 236 Cb 0.02 -4.32 0.00 0.00 -0.01 0.00 0.00 39.48 35.17 1d4a n PHE 236 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1d4a s LEU 237 N -6.23 3.81 0.56 4.37 1.43 -1.24 -4.76 118.68 116.63 1d4a s LEU 237 Ca 0.40 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.47 1d4a s LEU 237 Cb -0.18 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 1d4a s LEU 237 CO 0.50 -0.55 1.35 -0.04 0.23 0.00 0.00 176.35 177.84 1d4a s MET 238 N -4.40 3.07 0.41 1.70 -1.94 -1.26 -1.31 119.30 115.57 1d4a s MET 238 Ca 0.46 2.22 -0.26 0.00 -1.71 0.00 0.00 55.69 56.40 1d4a s MET 238 Cb -0.10 -2.21 -0.09 0.00 2.01 0.00 0.00 34.83 34.44 1d4a s MET 238 CO 0.35 -1.24 1.38 0.15 -0.01 0.00 0.00 175.02 175.65 1d4a s LYS 239 N -2.96 3.93 0.27 2.03 1.02 0.23 -4.73 119.74 119.53 1d4a s LYS 239 Ca 0.73 2.33 0.00 0.00 0.02 0.00 0.00 55.97 59.05 1d4a s LYS 239 Cb -0.40 -2.79 0.60 0.00 -0.52 0.00 0.00 37.83 34.72 1d4a s LYS 239 CO 0.47 -0.59 1.71 0.87 -0.92 0.00 0.00 175.35 176.89 1d4a h LYS 240 N 2.67 0.41 -0.74 1.68 1.57 -1.91 0.40 116.57 120.65 1d4a h LYS 240 Ca -0.50 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 1d4a h LYS 240 Cb 1.25 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1d4a h LYS 240 CO 0.63 0.27 0.34 0.93 -0.57 0.00 0.00 179.45 181.04 1d4a h GLU 241 N 0.42 1.08 -0.10 3.15 3.07 -1.97 -2.20 114.58 118.03 1d4a h GLU 241 Ca 0.49 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1d4a h GLU 241 Cb 0.86 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1d4a h GLU 241 CO -0.48 0.86 0.03 0.28 -1.40 0.00 0.00 179.01 178.30 1d4a h VAL 242 N 1.05 1.17 -0.53 3.13 2.07 -1.34 -1.43 116.25 120.37 1d4a h VAL 242 Ca 0.25 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.37 1d4a h VAL 242 Cb 0.15 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 1d4a h VAL 242 CO -0.03 0.15 0.02 1.56 0.02 0.00 0.00 177.57 179.29 1d4a h GLN 243 N -0.02 0.13 0.43 1.57 4.20 -0.83 0.26 115.11 120.86 1d4a h GLN 243 Ca 0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1d4a h GLN 243 Cb 0.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1d4a h GLN 243 CO -0.00 0.09 -0.21 -0.44 -0.67 0.00 0.00 178.83 177.60 1d4a h ASP 244 N 0.14 -0.49 0.04 1.46 3.32 -1.30 -1.65 116.42 117.95 1d4a h ASP 244 Ca 0.27 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1d4a h ASP 244 Cb 0.42 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1d4a h ASP 244 CO -0.43 -0.22 -0.00 -0.33 -1.72 0.00 0.00 179.24 176.54 1d4a h GLU 245 N -0.74 0.00 0.00 3.56 5.08 -0.85 -0.62 114.58 121.01 1d4a h GLU 245 Ca -0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1d4a h GLU 245 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1d4a h GLU 245 CO 0.10 0.00 -1.09 1.49 -1.00 0.00 0.00 179.01 178.51 1d4a h GLU 246 N 0.00 0.00 0.00 2.33 4.57 -0.15 -3.33 114.58 118.01 1d4a h GLU 246 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1d4a h GLU 246 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1d4a h GLU 246 CO 0.00 0.50 0.03 1.63 -1.18 0.00 0.00 179.01 179.99 1d4a n LYS 247 N -3.09 0.10 -0.10 1.92 5.02 -0.24 -1.38 118.16 120.38 1d4a n LYS 247 Ca -0.05 0.59 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1d4a n LYS 247 Cb 0.85 -1.86 0.18 0.00 -0.02 0.00 0.00 35.03 34.18 1d4a n LYS 247 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1d4a n ASN 248 N -2.05 3.17 -4.89 4.39 3.02 -1.25 -4.95 115.26 112.70 1d4a n ASN 248 Ca -0.01 -1.98 -0.33 0.00 -0.03 0.00 0.00 54.58 52.23 1d4a n ASN 248 Cb 0.05 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 1d4a n ASN 248 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1d4a s LYS 249 N -1.73 3.55 -0.05 3.52 -0.14 -0.48 -5.04 119.74 119.38 1d4a s LYS 249 Ca 0.34 -0.16 -0.26 0.00 -1.36 0.00 0.00 55.97 54.53 1d4a s LYS 249 Cb 0.21 -3.03 -0.21 0.00 -1.68 0.00 0.00 37.83 33.12 1d4a s LYS 249 CO 0.31 0.61 1.14 -0.22 -0.76 0.00 0.00 175.35 176.44 1d4a h LYS 250 N 3.62 -0.03 -6.27 1.68 3.64 -1.92 -3.46 116.57 113.83 1d4a h LYS 250 Ca -0.48 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.35 1d4a h LYS 250 Cb 1.18 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1d4a h LYS 250 CO 0.69 0.54 -0.26 -0.06 -2.27 0.00 0.00 179.45 178.09 1d4a s PHE 251 N -3.82 3.47 0.91 1.91 0.08 -1.26 -3.62 117.98 115.64 1d4a s PHE 251 Ca -0.16 0.55 -0.15 0.00 0.12 0.00 0.00 56.93 57.28 1d4a s PHE 251 Cb 0.01 -2.01 0.22 0.00 -0.57 0.00 0.00 43.02 40.66 1d4a s PHE 251 CO 0.66 0.35 1.00 0.41 -0.10 0.00 0.00 175.22 177.53 1d4a n GLY 252 N -0.34 -2.08 0.08 4.36 0.00 0.65 -4.89 105.19 102.97 1d4a n GLY 252 Ca -0.03 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 1d4a n GLY 252 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1d4a h LEU 253 N 0.00 0.16 0.00 0.99 3.38 -0.97 -3.40 115.31 115.47 1d4a h LEU 253 Ca -0.35 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.50 1d4a h LEU 253 Cb 1.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1d4a h LEU 253 CO 0.24 1.12 0.27 -1.54 0.09 0.00 0.00 178.44 178.62 1d4a n SER 254 N -3.43 -1.25 0.02 -0.43 3.41 -1.09 -4.75 113.62 106.10 1d4a n SER 254 Ca -0.03 -1.78 -0.11 0.00 -0.26 0.00 0.00 58.87 56.69 1d4a n SER 254 Cb 0.96 2.07 -0.06 0.00 -0.26 0.00 0.00 64.21 66.92 1d4a n SER 254 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1d4a h VAL 255 N 1.61 0.98 0.00 -3.33 2.07 -1.93 -1.61 116.25 114.04 1d4a h VAL 255 Ca -0.19 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1d4a h VAL 255 Cb 0.75 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1d4a h VAL 255 CO 0.24 0.00 -0.57 1.23 0.02 0.00 0.00 177.57 178.50 1d4a h GLY 256 N 0.03 0.00 -5.31 2.17 0.00 -1.96 -3.22 103.07 94.77 1d4a h GLY 256 Ca 0.02 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.67 1d4a h GLY 256 CO -0.02 0.00 0.11 1.42 0.00 0.00 0.00 176.54 178.05 1d4a n HIS 257 N -3.71 3.37 0.54 5.60 -0.00 -1.07 -4.71 115.22 115.24 1d4a n HIS 257 Ca -0.01 -3.10 0.13 0.00 -0.00 0.00 0.00 57.72 54.74 1d4a n HIS 257 Cb 0.60 -0.72 0.44 0.00 -0.00 0.00 0.00 29.99 30.31 1d4a n HIS 257 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1d4a n HIS 258 N -0.31 0.89 -2.50 4.41 1.44 -0.63 -0.36 115.22 118.17 1d4a n HIS 258 Ca 0.41 0.29 -0.13 0.00 -2.01 0.00 0.00 57.72 56.29 1d4a n HIS 258 Cb 0.39 -0.97 -0.01 0.00 0.12 0.00 0.00 29.99 29.52 1d4a n HIS 258 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1d4a n LEU 259 N -2.26 -1.19 0.00 2.39 4.77 -1.26 -0.54 117.00 118.92 1d4a n LEU 259 Ca 0.04 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1d4a n LEU 259 Cb 0.35 -2.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.29 1d4a n LEU 259 CO 0.26 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1d4a n GLY 260 N -0.83 0.75 0.00 -0.72 0.00 -1.26 -5.00 105.19 98.13 1d4a n GLY 260 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1d4a n GLY 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d4a n LYS 261 N -2.19 2.30 -2.50 1.61 5.02 0.30 -5.09 118.16 117.61 1d4a n LYS 261 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1d4a n LYS 261 Cb 0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.99 1d4a n LYS 261 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1d4a s SER 262 N -0.67 7.12 -0.12 4.39 0.01 -1.24 -4.72 113.70 118.47 1d4a s SER 262 Ca 0.00 2.19 -0.26 0.00 1.31 0.00 0.00 55.95 59.19 1d4a s SER 262 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1d4a s SER 262 CO 0.00 -0.24 0.84 -0.63 0.41 0.00 0.00 173.24 173.62 1d4a s ILE 263 N -1.31 4.90 0.12 1.44 1.01 -1.26 -0.25 121.20 125.86 1d4a s ILE 263 Ca 0.48 1.68 -0.33 0.00 0.00 0.00 0.00 60.65 62.48 1d4a s ILE 263 Cb -0.29 -4.15 -0.13 0.00 0.01 0.00 0.00 42.46 37.90 1d4a s ILE 263 CO 0.37 0.08 1.67 -0.81 0.00 0.00 0.00 174.94 176.25 1d4a n PRO 264 N 4.77 2.30 -1.66 2.79 -0.04 -1.26 -4.82 135.00 137.08 1d4a n PRO 264 Ca 0.04 0.83 -0.55 0.00 -0.04 0.00 0.00 63.50 63.78 1d4a n PRO 264 Cb 0.50 -2.64 -0.07 0.00 -0.04 0.00 0.00 33.50 31.25 1d4a n PRO 264 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1d4a n THR 265 N 3.89 0.20 -3.91 0.52 -1.04 -1.26 -2.31 114.28 110.37 1d4a n THR 265 Ca 0.18 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.86 1d4a n THR 265 Cb 0.31 -1.10 0.02 0.00 -1.82 0.00 0.00 70.33 67.73 1d4a n THR 265 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1d4a n ASP 266 N 4.33 -3.76 -0.02 8.00 8.00 -1.26 -4.84 116.55 127.00 1d4a n ASP 266 Ca 0.23 -0.82 0.06 0.00 0.71 0.00 0.00 54.79 54.97 1d4a n ASP 266 Cb 0.16 -3.76 0.45 0.00 -0.02 0.00 0.00 41.12 37.95 1d4a n ASP 266 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1d4a h ASN 267 N -1.98 0.44 -0.18 -2.24 -1.24 -1.70 0.40 115.58 109.08 1d4a h ASN 267 Ca -0.59 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.41 1d4a h ASN 267 Cb 1.37 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1d4a h ASN 267 CO 0.66 0.30 0.00 0.00 -1.29 0.00 0.00 177.43 177.11 1d4a n GLN 268 N -4.48 2.15 -0.01 6.67 1.13 -1.26 -4.35 117.38 117.23 1d4a n GLN 268 Ca 0.05 -1.96 -0.01 0.00 -1.94 0.00 0.00 57.00 53.14 1d4a n GLN 268 Cb 0.14 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 1d4a n GLN 268 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1d4a n ILE 269 N 1.26 0.16 -4.99 5.09 5.41 -0.81 -4.56 119.36 120.91 1d4a n ILE 269 Ca 0.15 -0.08 -0.28 0.00 1.00 0.00 0.00 62.75 63.54 1d4a n ILE 269 Cb 0.54 -0.80 -0.15 0.00 -0.71 0.00 0.00 39.64 38.52 1d4a n ILE 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1d4a s LYS 270 N -2.06 1.71 0.18 0.38 -0.14 0.13 -4.40 119.74 115.55 1d4a s LYS 270 Ca -0.02 -0.83 -0.22 0.00 -1.36 0.00 0.00 55.97 53.54 1d4a s LYS 270 Cb 0.01 -1.69 -0.08 0.00 -1.68 0.00 0.00 37.83 34.39 1d4a s LYS 270 CO 0.08 0.46 0.73 0.00 -0.76 0.00 0.00 175.35 175.86 1d4a s ALA 271 N -0.58 3.45 0.00 5.17 0.00 -1.26 -4.54 121.76 124.00 1d4a s ALA 271 Ca 0.08 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1d4a s ALA 271 Cb -0.09 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1d4a s ALA 271 CO -0.00 0.32 0.00 -2.13 0.00 0.00 0.00 175.76 173.95 1d4a n ARG 272 N 1.21 0.00 0.00 0.00 3.00 -1.26 -5.05 116.66 114.56 1d4a n ARG 272 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.82 1d4a n ARG 272 Cb 0.50 0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.03 1d4a n ARG 272 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26