#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2df4 h SER 2 N 0.00 0.00 -0.18 6.12 0.02 -1.96 -3.31 113.55 114.24 2df4 h SER 2 Ca 0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 2df4 h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2df4 h SER 2 CO 0.00 0.91 0.00 2.30 -1.14 0.00 0.00 176.83 178.90 2df4 n ILE 3 N -4.64 0.51 0.26 3.27 -6.64 -1.26 -4.08 119.36 106.78 2df4 n ILE 3 Ca -0.09 -0.32 0.09 0.00 -1.77 0.00 0.00 62.75 60.66 2df4 n ILE 3 Cb 0.38 -0.15 0.42 0.00 -1.44 0.00 0.00 39.64 38.85 2df4 n ILE 3 CO 0.00 0.00 0.00 -2.11 -1.77 0.00 0.00 176.55 172.67 2df4 n ARG 4 N 0.13 0.12 0.00 6.28 1.85 -1.25 -2.25 116.66 121.54 2df4 n ARG 4 Ca 0.07 0.49 0.03 0.00 -1.00 0.00 0.00 57.85 57.44 2df4 n ARG 4 Cb 0.34 -1.79 0.01 0.00 -1.05 0.00 0.00 32.46 29.97 2df4 n ARG 4 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2df4 n TYR 5 N -2.03 0.00 -2.20 2.89 4.01 -1.26 -4.43 117.16 114.15 2df4 n TYR 5 Ca 0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 2df4 n TYR 5 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 2df4 n TYR 5 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2df4 s GLU 6 N -0.73 3.33 0.82 -0.72 0.41 -0.95 -5.03 118.70 115.83 2df4 s GLU 6 Ca 0.06 1.48 -0.12 0.00 -0.41 0.00 0.00 54.97 55.98 2df4 s GLU 6 Cb 0.05 -2.01 0.09 0.00 -1.78 0.00 0.00 34.13 30.47 2df4 s GLU 6 CO 0.11 -0.84 1.16 -1.54 -0.49 0.00 0.00 175.26 173.66 2df4 s SER 7 N -2.06 4.37 0.29 -0.19 1.04 -1.26 -4.78 113.70 111.10 2df4 s SER 7 Ca 0.70 0.88 0.04 0.00 0.48 0.00 0.00 55.95 58.04 2df4 s SER 7 Cb -0.21 -1.43 0.44 0.00 0.10 0.00 0.00 66.02 64.93 2df4 s SER 7 CO 0.29 -2.00 1.73 0.58 0.98 0.00 0.00 173.24 174.82 2df4 h VAL 8 N -1.12 1.27 0.60 5.02 2.07 -1.96 -1.01 116.25 121.12 2df4 h VAL 8 Ca -0.47 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 65.72 2df4 h VAL 8 Cb 1.32 1.42 0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2df4 h VAL 8 CO 0.65 0.41 -0.29 -0.08 0.02 0.00 0.00 177.57 178.27 2df4 h GLU 9 N 0.36 -0.77 0.84 1.57 4.81 -1.95 -0.85 114.58 118.59 2df4 h GLU 9 Ca 0.05 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2df4 h GLU 9 Cb 0.69 0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.25 2df4 h GLU 9 CO 0.05 -0.46 -0.40 -0.91 -0.73 0.00 0.00 179.01 176.56 2df4 h ASN 10 N -1.08 -0.95 -1.19 1.04 2.35 -1.94 -2.22 115.58 111.59 2df4 h ASN 10 Ca -0.08 0.03 0.34 0.00 -0.55 0.00 0.00 56.30 56.04 2df4 h ASN 10 Cb 0.67 0.25 -0.07 0.00 0.05 0.00 0.00 38.32 39.22 2df4 h ASN 10 CO 0.13 -0.66 0.83 0.25 -1.65 0.00 0.00 177.43 176.33 2df4 h LEU 11 N -1.16 0.12 -0.08 1.61 5.85 -1.28 0.56 115.31 120.93 2df4 h LEU 11 Ca -0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2df4 h LEU 11 Cb 0.87 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2df4 h LEU 11 CO 0.19 0.01 0.02 0.25 -0.34 0.00 0.00 178.44 178.56 2df4 h LEU 12 N 0.10 0.13 -0.41 2.25 5.85 -0.57 -2.77 115.31 119.89 2df4 h LEU 12 Ca 0.60 -0.25 -0.15 0.00 0.84 0.00 0.00 57.88 58.92 2df4 h LEU 12 Cb 2.17 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 43.15 2df4 h LEU 12 CO -0.10 0.35 -0.32 0.71 -0.34 0.00 0.00 178.44 178.73 2df4 h THR 13 N -0.09 1.27 -0.80 1.05 1.35 0.45 -2.51 112.91 113.63 2df4 h THR 13 Ca 0.03 -1.50 0.21 0.00 -0.55 0.00 0.00 66.41 64.60 2df4 h THR 13 Cb 0.27 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 67.96 2df4 h THR 13 CO 0.00 0.50 0.56 -0.07 -0.25 0.00 0.00 175.52 176.27 2df4 h LEU 14 N 0.77 0.14 0.20 3.87 3.38 -0.61 0.20 115.31 123.27 2df4 h LEU 14 Ca 0.08 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 2df4 h LEU 14 Cb 0.92 -0.01 0.03 0.00 0.09 0.00 0.00 40.66 41.68 2df4 h LEU 14 CO 0.08 0.06 -1.22 0.40 0.09 0.00 0.00 178.44 177.86 2df4 h ILE 15 N 0.15 1.35 -0.23 1.22 2.04 -1.25 -0.09 117.51 120.69 2df4 h ILE 15 Ca 0.40 -2.61 -0.04 0.00 1.00 0.00 0.00 64.86 63.61 2df4 h ILE 15 Cb 1.34 3.09 -0.01 0.00 -0.74 0.00 0.00 36.82 40.49 2df4 h ILE 15 CO -0.06 0.77 -0.01 0.11 0.00 0.00 0.00 178.15 178.95 2df4 h LYS 16 N -0.09 0.35 -0.37 2.37 1.57 -0.62 -0.25 116.57 119.53 2df4 h LYS 16 Ca -0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2df4 h LYS 16 Cb 1.94 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.19 2df4 h LYS 16 CO 0.21 0.39 0.00 -0.25 -0.57 0.00 0.00 179.45 179.23 2df4 n ASP 17 N -4.33 1.80 -1.98 0.86 8.00 0.53 -4.89 116.55 116.53 2df4 n ASP 17 Ca 0.00 -2.05 -0.13 0.00 0.71 0.00 0.00 54.79 53.33 2df4 n ASP 17 Cb 0.21 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 2df4 n ASP 17 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2df4 n LYS 18 N 0.38 -1.79 0.00 -1.24 5.02 -0.11 -4.79 118.16 115.63 2df4 n LYS 18 Ca 0.10 0.70 0.13 0.00 -2.02 0.00 0.00 58.31 57.22 2df4 n LYS 18 Cb 0.30 -5.15 0.57 0.00 -0.02 0.00 0.00 35.03 30.74 2df4 n LYS 18 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2df4 n LYS 19 N -2.41 0.05 -3.66 1.97 5.02 -0.06 -4.77 118.16 114.30 2df4 n LYS 19 Ca -0.15 0.05 -0.13 0.00 -2.02 0.00 0.00 58.31 56.07 2df4 n LYS 19 Cb 0.54 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.97 2df4 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2df4 s ILE 20 N -2.94 -0.00 -0.06 -0.18 2.07 -1.12 -5.01 121.20 113.96 2df4 s ILE 20 Ca 0.14 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.15 2df4 s ILE 20 Cb 0.17 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 2df4 s ILE 20 CO 0.46 0.00 0.72 -0.54 -1.91 0.00 0.00 174.94 173.67 2df4 s LYS 21 N 0.50 4.44 0.30 3.50 1.02 -1.26 -4.55 119.74 123.70 2df4 s LYS 21 Ca -0.01 0.91 0.05 0.00 0.02 0.00 0.00 55.97 56.94 2df4 s LYS 21 Cb -0.05 -3.44 0.81 0.00 -0.52 0.00 0.00 37.83 34.63 2df4 s LYS 21 CO -0.02 0.07 1.62 -1.35 -0.92 0.00 0.00 175.35 174.76 2df4 h PRO 22 N 6.72 0.14 -0.51 -1.68 0.11 -1.93 0.18 132.00 135.04 2df4 h PRO 22 Ca -0.41 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.75 2df4 h PRO 22 Cb 1.20 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2df4 h PRO 22 CO 0.75 0.09 0.34 0.66 -0.21 0.00 0.00 178.00 179.64 2df4 h SER 23 N 0.15 0.38 0.70 -2.05 4.64 -1.94 -1.42 113.55 114.01 2df4 h SER 23 Ca 0.61 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.66 2df4 h SER 23 Cb 1.30 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2df4 h SER 23 CO -0.72 0.25 -1.24 0.44 -0.87 0.00 0.00 176.83 174.68 2df4 h ASP 24 N 0.43 0.29 -0.81 4.97 3.32 -1.07 -1.65 116.42 121.91 2df4 h ASP 24 Ca 0.22 -0.33 0.10 0.00 0.02 0.00 0.00 57.03 57.05 2df4 h ASP 24 Cb 0.33 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 2df4 h ASP 24 CO -0.06 1.26 0.53 0.58 -1.72 0.00 0.00 179.24 179.83 2df4 h VAL 25 N 0.05 0.93 0.10 -1.35 2.07 -0.56 0.32 116.25 117.81 2df4 h VAL 25 Ca -0.12 -0.25 -0.27 0.00 0.82 0.00 0.00 66.70 66.88 2df4 h VAL 25 Cb 1.93 0.15 0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2df4 h VAL 25 CO 0.17 0.13 -1.13 0.58 0.02 0.00 0.00 177.57 177.35 2df4 h VAL 26 N 0.72 1.31 -0.85 2.57 2.07 -1.33 -2.80 116.25 117.94 2df4 h VAL 26 Ca 0.38 -2.40 0.11 0.00 0.82 0.00 0.00 66.70 65.60 2df4 h VAL 26 Cb 0.49 2.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.88 2df4 h VAL 26 CO -0.15 0.73 0.49 0.50 0.02 0.00 0.00 177.57 179.15 2df4 h LYS 27 N 0.19 0.76 0.59 1.57 3.64 0.03 -1.64 116.57 121.71 2df4 h LYS 27 Ca -0.17 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2df4 h LYS 27 Cb 1.81 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 33.47 2df4 h LYS 27 CO 0.22 0.50 -0.28 -0.44 -2.27 0.00 0.00 179.45 177.18 2df4 h ASP 28 N 0.78 -0.67 -0.29 4.20 5.19 -0.49 -1.55 116.42 123.58 2df4 h ASP 28 Ca 0.43 -0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.87 2df4 h ASP 28 Cb 0.44 0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.07 2df4 h ASP 28 CO -0.27 -0.43 -0.41 0.40 -3.12 0.00 0.00 179.24 175.41 2df4 h ILE 29 N -0.86 0.00 -0.58 0.35 1.08 -1.07 0.42 117.51 116.85 2df4 h ILE 29 Ca -0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 2df4 h ILE 29 Cb 0.63 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 2df4 h ILE 29 CO 0.13 0.00 0.38 1.88 -0.69 0.00 0.00 178.15 179.86 2df4 h TYR 30 N -0.30 0.56 -0.91 1.37 0.05 -1.39 0.35 116.97 116.70 2df4 h TYR 30 Ca 0.05 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 2df4 h TYR 30 Cb 0.44 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 2df4 h TYR 30 CO -0.69 0.30 0.54 -0.44 -1.05 0.00 0.00 178.16 176.83 2df4 h ASP 31 N 0.56 1.10 0.14 3.88 5.19 0.07 0.15 116.42 127.52 2df4 h ASP 31 Ca 0.25 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2df4 h ASP 31 Cb 0.26 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.49 2df4 h ASP 31 CO -0.07 0.85 -0.07 0.00 -3.12 0.00 0.00 179.24 176.83 2df4 h ALA 32 N 1.29 -0.19 -0.45 3.45 0.00 0.33 -2.65 119.26 121.05 2df4 h ALA 32 Ca 0.33 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2df4 h ALA 32 Cb -0.04 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2df4 h ALA 32 CO -0.06 -0.45 0.08 0.82 0.00 0.00 0.00 179.25 179.64 2df4 h ILE 33 N -0.50 0.75 -0.25 0.00 2.04 -0.19 0.30 117.51 119.67 2df4 h ILE 33 Ca -0.02 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2df4 h ILE 33 Cb 0.39 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2df4 h ILE 33 CO 0.03 0.04 0.18 -0.33 0.00 0.00 0.00 178.15 178.07 2df4 h GLU 34 N 0.21 0.03 0.03 2.37 5.08 -0.67 -1.41 114.58 120.23 2df4 h GLU 34 Ca 0.22 -0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.22 2df4 h GLU 34 Cb 0.28 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2df4 h GLU 34 CO -0.29 0.02 -2.20 -1.91 -1.00 0.00 0.00 179.01 173.63 2df4 n GLU 35 N -4.47 0.68 -0.12 2.33 2.13 -0.55 -4.66 120.64 115.98 2df4 n GLU 35 Ca 0.03 0.16 -0.20 0.00 0.66 0.00 0.00 57.16 57.81 2df4 n GLU 35 Cb 0.31 -1.62 -0.12 0.00 0.27 0.00 0.00 31.44 30.28 2df4 n GLU 35 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2df4 n THR 36 N -3.13 1.51 0.13 6.31 -1.04 0.95 -4.57 114.28 114.44 2df4 n THR 36 Ca -0.34 -0.55 0.06 0.00 -2.04 0.00 0.00 64.05 61.18 2df4 n THR 36 Cb 1.06 -1.49 0.53 0.00 -1.82 0.00 0.00 70.33 68.61 2df4 n THR 36 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2df4 h ASP 37 N -0.12 0.24 -1.02 8.00 3.58 -1.43 -1.40 116.42 124.26 2df4 h ASP 37 Ca -0.59 -0.01 0.28 0.00 0.42 0.00 0.00 57.03 57.14 2df4 h ASP 37 Cb 1.87 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 42.80 2df4 h ASP 37 CO -0.12 0.17 0.71 -0.65 -2.88 0.00 0.00 179.24 176.47 2df4 h PRO 38 N 0.28 0.14 0.09 0.28 0.11 -1.81 2.60 132.00 133.69 2df4 h PRO 38 Ca 0.08 -0.01 -0.35 0.00 0.11 0.00 0.00 66.00 65.83 2df4 h PRO 38 Cb -0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 2df4 h PRO 38 CO -0.02 0.09 -1.98 2.41 -0.21 0.00 0.00 178.00 178.30 2df4 n THR 39 N -4.35 1.71 -0.04 -1.15 -1.04 -0.63 -4.48 114.28 104.30 2df4 n THR 39 Ca 0.22 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 2df4 n THR 39 Cb 1.00 -1.74 -0.11 0.00 -1.82 0.00 0.00 70.33 67.66 2df4 n THR 39 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2df4 h ILE 40 N -0.10 1.52 -4.91 12.58 1.08 -0.20 -3.43 117.51 124.05 2df4 h ILE 40 Ca -0.44 -1.77 -0.11 0.00 -0.39 0.00 0.00 64.86 62.15 2df4 h ILE 40 Cb 1.92 2.70 0.09 0.00 -3.07 0.00 0.00 36.82 38.45 2df4 h ILE 40 CO 0.02 0.45 -0.38 0.29 -0.69 0.00 0.00 178.15 177.83 2df4 n LYS 41 N -4.73 -1.46 -0.00 2.37 5.02 0.86 -1.34 118.16 118.88 2df4 n LYS 41 Ca -0.09 0.96 0.03 0.00 -2.02 0.00 0.00 58.31 57.19 2df4 n LYS 41 Cb 0.37 -4.91 -0.05 0.00 -0.02 0.00 0.00 35.03 30.41 2df4 n LYS 41 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2df4 n SER 42 N -2.31 2.90 -4.86 4.39 3.41 -1.26 -3.33 113.62 112.55 2df4 n SER 42 Ca -0.03 -0.11 -0.37 0.00 -0.26 0.00 0.00 58.87 58.10 2df4 n SER 42 Cb 0.55 1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 65.71 2df4 n SER 42 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2df4 s PHE 43 N -2.35 3.65 0.00 7.33 0.08 -1.26 0.14 117.98 125.58 2df4 s PHE 43 Ca -0.02 0.73 0.00 0.00 0.12 0.00 0.00 56.93 57.76 2df4 s PHE 43 Cb 0.05 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2df4 s PHE 43 CO 0.29 0.70 0.00 1.28 -0.10 0.00 0.00 175.22 177.39 2df4 n LEU 44 N 1.89 0.00 -4.73 -0.37 4.77 0.56 -4.73 117.00 114.39 2df4 n LEU 44 Ca -0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 2df4 n LEU 44 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2df4 n LEU 44 CO 0.34 0.00 1.24 0.00 -1.33 0.00 0.00 177.39 177.63 2df4 s ALA 45 N -3.40 3.78 -0.14 -1.18 0.00 -1.26 -4.81 121.76 114.75 2df4 s ALA 45 Ca 0.00 1.43 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 2df4 s ALA 45 Cb 0.00 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 2df4 s ALA 45 CO 0.00 -0.83 -0.03 -1.17 0.00 0.00 0.00 175.76 173.74 2df4 s LEU 46 N 0.68 3.31 -0.68 0.00 2.96 -1.26 -0.75 118.68 122.94 2df4 s LEU 46 Ca 0.68 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 2df4 s LEU 46 Cb -0.45 -1.79 0.38 0.00 0.50 0.00 0.00 46.19 44.82 2df4 s LEU 46 CO 0.36 0.20 1.57 -0.67 -1.32 0.00 0.00 176.35 176.49 2df4 n ASP 47 N 3.31 6.19 0.15 3.68 2.03 -0.91 -4.84 116.55 126.17 2df4 n ASP 47 Ca -0.17 -3.77 -0.14 0.00 0.52 0.00 0.00 54.79 51.23 2df4 n ASP 47 Cb 0.53 -0.80 -0.08 0.00 -0.72 0.00 0.00 41.12 40.05 2df4 n ASP 47 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2df4 h LYS 48 N 2.92 -0.30 -0.18 -0.67 3.64 -1.86 -1.25 116.57 118.87 2df4 h LYS 48 Ca 0.43 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.88 2df4 h LYS 48 Cb 0.44 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.25 2df4 h LYS 48 CO 1.14 -0.20 -0.35 0.93 -2.27 0.00 0.00 179.45 178.70 2df4 h GLU 49 N -0.31 -0.38 -0.87 1.90 5.08 -1.96 0.49 114.58 118.52 2df4 h GLU 49 Ca -0.03 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2df4 h GLU 49 Cb 0.24 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2df4 h GLU 49 CO 0.04 -0.26 0.46 -0.91 -1.00 0.00 0.00 179.01 177.35 2df4 h ASN 50 N -0.40 1.10 0.22 1.42 2.35 -1.93 -2.28 115.58 116.07 2df4 h ASN 50 Ca 0.10 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2df4 h ASN 50 Cb 0.57 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2df4 h ASN 50 CO -0.40 0.89 -0.30 0.00 -1.65 0.00 0.00 177.43 175.96 2df4 h ALA 51 N 1.25 -0.59 -0.81 -0.83 0.00 -0.40 -1.19 119.26 116.70 2df4 h ALA 51 Ca 0.30 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.27 2df4 h ALA 51 Cb 0.05 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.21 2df4 h ALA 51 CO -0.05 -0.87 0.40 0.82 0.00 0.00 0.00 179.25 179.55 2df4 h ILE 52 N -0.59 0.74 -0.19 0.00 2.04 -0.73 -1.52 117.51 117.27 2df4 h ILE 52 Ca 0.01 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2df4 h ILE 52 Cb 0.57 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2df4 h ILE 52 CO -0.11 0.11 0.12 0.50 0.00 0.00 0.00 178.15 178.77 2df4 h LYS 53 N 0.59 0.25 -0.60 2.37 3.64 -0.88 -1.45 116.57 120.48 2df4 h LYS 53 Ca 0.43 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 2df4 h LYS 53 Cb 0.59 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2df4 h LYS 53 CO -0.35 0.16 0.30 -0.22 -2.27 0.00 0.00 179.45 177.07 2df4 h LYS 54 N 0.25 0.86 -0.70 1.90 1.63 -0.43 -1.88 116.57 118.19 2df4 h LYS 54 Ca 0.07 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2df4 h LYS 54 Cb -0.03 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.41 2df4 h LYS 54 CO -0.01 0.68 0.41 0.00 -3.45 0.00 0.00 179.45 177.08 2df4 h ALA 55 N 1.13 0.90 -0.84 5.00 0.00 -1.13 0.79 119.26 125.11 2df4 h ALA 55 Ca 0.21 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2df4 h ALA 55 Cb 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 2df4 h ALA 55 CO -0.03 0.39 0.55 0.37 0.00 0.00 0.00 179.25 180.53 2df4 h GLN 56 N 0.96 0.97 -0.52 0.00 4.15 -0.90 0.13 115.11 119.90 2df4 h GLN 56 Ca 0.25 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.50 2df4 h GLN 56 Cb -0.01 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 2df4 h GLN 56 CO -0.04 0.64 -0.11 0.93 -1.93 0.00 0.00 178.83 178.32 2df4 h GLU 57 N 1.00 1.00 -0.55 1.69 5.08 -0.45 -3.15 114.58 119.19 2df4 h GLU 57 Ca 0.34 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2df4 h GLU 57 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2df4 h GLU 57 CO -0.11 1.05 0.03 -0.07 -1.00 0.00 0.00 179.01 178.92 2df4 h LEU 58 N 0.87 0.93 -0.67 1.33 3.38 0.10 -2.75 115.31 118.50 2df4 h LEU 58 Ca 0.13 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.94 2df4 h LEU 58 Cb 0.67 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 2df4 h LEU 58 CO 0.05 0.99 0.20 0.44 0.09 0.00 0.00 178.44 180.21 2df4 h ASP 59 N 0.84 0.11 0.14 -0.43 3.32 -0.81 0.72 116.42 120.31 2df4 h ASP 59 Ca 0.16 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.34 2df4 h ASP 59 Cb 0.49 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2df4 h ASP 59 CO 0.02 0.04 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.03 2df4 h GLU 60 N 0.33 -0.42 -0.32 3.56 5.08 -1.54 -0.21 114.58 121.07 2df4 h GLU 60 Ca 0.36 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.82 2df4 h GLU 60 Cb 0.54 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2df4 h GLU 60 CO -0.41 -0.28 0.22 -0.07 -1.00 0.00 0.00 179.01 177.48 2df4 h LEU 61 N -0.43 0.09 0.06 1.33 3.38 -0.69 0.76 115.31 119.80 2df4 h LEU 61 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2df4 h LEU 61 Cb 0.44 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2df4 h LEU 61 CO -0.11 0.05 -0.03 -0.61 0.09 0.00 0.00 178.44 177.84 2df4 h GLN 62 N 0.10 -0.08 -0.18 1.13 4.15 0.18 -1.30 115.11 119.10 2df4 h GLN 62 Ca 0.15 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2df4 h GLN 62 Cb 0.46 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2df4 h GLN 62 CO -0.01 0.25 0.11 0.00 -1.93 0.00 0.00 178.83 177.25 2df4 h ALA 63 N 0.48 0.23 0.00 3.38 0.00 -0.17 -1.50 119.26 121.67 2df4 h ALA 63 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2df4 h ALA 63 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2df4 h ALA 63 CO 0.01 -0.30 0.00 1.63 0.00 0.00 0.00 179.25 180.59 2df4 n LYS 64 N -4.97 0.34 -3.90 0.00 5.02 0.17 -4.83 118.16 109.98 2df4 n LYS 64 Ca -0.04 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.99 2df4 n LYS 64 Cb 0.03 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2df4 n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2df4 n ASP 65 N -0.79 -1.65 -3.09 4.39 8.00 -0.57 -4.91 116.55 117.93 2df4 n ASP 65 Ca 0.05 -0.91 -0.21 0.00 0.71 0.00 0.00 54.79 54.42 2df4 n ASP 65 Cb 0.02 -3.47 -0.03 0.00 -0.02 0.00 0.00 41.12 37.62 2df4 n ASP 65 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2df4 n GLN 66 N -4.41 1.79 -3.11 -1.24 6.02 -0.52 -5.04 117.38 110.86 2df4 n GLN 66 Ca -0.21 -3.91 -0.45 0.00 -0.01 0.00 0.00 57.00 52.42 2df4 n GLN 66 Cb 0.64 -1.89 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 2df4 n GLN 66 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2df4 s MET 67 N -2.81 3.62 0.01 -1.09 -1.94 -1.26 -4.79 119.30 111.04 2df4 s MET 67 Ca 0.43 -2.11 -0.01 0.00 -1.71 0.00 0.00 55.69 52.29 2df4 s MET 67 Cb 0.33 -4.70 -0.04 0.00 2.01 0.00 0.00 34.83 32.43 2df4 s MET 67 CO -0.10 -1.55 0.16 -0.51 -0.01 0.00 0.00 175.02 173.01 2df4 s ASP 68 N 2.93 6.16 0.00 3.03 1.01 -1.26 -5.01 116.67 123.53 2df4 s ASP 68 Ca 0.26 0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.79 2df4 s ASP 68 Cb -0.07 -1.88 0.00 0.00 1.01 0.00 0.00 42.92 41.98 2df4 s ASP 68 CO -0.09 0.25 0.00 0.61 0.21 0.00 0.00 175.17 176.14 2df4 n GLY 69 N 0.87 3.96 0.15 0.21 0.00 -1.26 -4.52 105.19 104.59 2df4 n GLY 69 Ca -0.10 -1.26 0.12 0.00 0.00 0.00 0.00 46.02 44.77 2df4 n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2df4 n LYS 70 N -0.09 0.18 -2.64 1.61 5.02 -1.25 -2.73 118.16 118.25 2df4 n LYS 70 Ca 0.00 0.52 -0.05 0.00 -2.02 0.00 0.00 58.31 56.76 2df4 n LYS 70 Cb 0.00 -1.92 0.04 0.00 -0.02 0.00 0.00 35.03 33.14 2df4 n LYS 70 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2df4 n LEU 71 N -2.26 2.24 -4.67 -0.35 4.77 -1.16 -5.01 117.00 110.56 2df4 n LEU 71 Ca 0.01 -3.35 -0.52 0.00 -0.03 0.00 0.00 56.01 52.11 2df4 n LEU 71 Cb 0.15 0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2df4 n LEU 71 CO 0.16 1.24 1.26 0.33 -1.33 0.00 0.00 177.39 179.05 2df4 n PHE 72 N -0.60 2.05 -1.98 -1.77 -0.00 -1.10 -1.27 117.46 112.78 2df4 n PHE 72 Ca 0.14 0.37 -0.21 0.00 -0.00 0.00 0.00 57.45 57.75 2df4 n PHE 72 Cb 0.84 -2.50 -0.05 0.00 -0.00 0.00 0.00 39.48 37.77 2df4 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2df4 n GLY 73 N 3.78 0.78 3.62 7.13 0.00 -0.40 -4.90 105.19 115.19 2df4 n GLY 73 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 2df4 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2df4 s ILE 74 N -2.88 5.15 0.36 -0.61 -1.09 -0.40 -4.80 121.20 116.93 2df4 s ILE 74 Ca 0.00 0.68 -0.28 0.00 -2.23 0.00 0.00 60.65 58.82 2df4 s ILE 74 Cb 0.00 -3.74 -0.11 0.00 -1.58 0.00 0.00 42.46 37.03 2df4 s ILE 74 CO 0.00 0.15 1.49 -2.84 -1.23 0.00 0.00 174.94 172.51 2df4 s PRO 75 N 2.03 4.12 -0.02 2.79 0.02 -1.26 -0.95 135.00 141.73 2df4 s PRO 75 Ca 0.17 2.55 -0.03 0.00 0.02 0.00 0.00 61.00 63.71 2df4 s PRO 75 Cb -0.16 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.39 2df4 s PRO 75 CO 0.09 -0.52 0.08 0.00 -0.33 0.00 0.00 177.00 176.32 2df4 s MET 76 N -1.91 0.16 -0.06 5.54 0.23 0.16 -4.06 119.30 119.36 2df4 s MET 76 Ca 0.54 -0.00 0.01 0.00 -1.03 0.00 0.00 55.69 55.21 2df4 s MET 76 Cb -0.46 0.07 -0.03 0.00 -1.53 0.00 0.00 34.83 32.88 2df4 s MET 76 CO 0.61 -0.03 -0.09 0.20 -2.03 0.00 0.00 175.02 173.69 2df4 s GLY 77 N -0.25 1.65 -0.09 3.16 0.00 -0.96 -2.08 107.32 108.75 2df4 s GLY 77 Ca -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.81 2df4 s GLY 77 CO 0.00 -0.68 -0.18 -0.42 0.00 0.00 0.00 173.10 171.82 2df4 s ILE 78 N -0.77 1.63 0.24 0.90 1.09 -0.81 -1.30 121.20 122.17 2df4 s ILE 78 Ca 0.12 -0.76 -0.31 0.00 -1.10 0.00 0.00 60.65 58.60 2df4 s ILE 78 Cb -0.11 -1.44 -0.14 0.00 -1.06 0.00 0.00 42.46 39.71 2df4 s ILE 78 CO 0.01 0.46 1.30 1.17 -0.10 0.00 0.00 174.94 177.79 2df4 n LYS 79 N 3.76 1.79 0.00 2.79 4.81 -1.05 -0.17 118.16 130.10 2df4 n LYS 79 Ca -0.21 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2df4 n LYS 79 Cb 0.52 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.35 2df4 n LYS 79 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2df4 n ASP 80 N 1.86 0.31 -0.52 3.14 2.03 -0.82 -1.56 116.55 120.98 2df4 n ASP 80 Ca 0.11 -1.03 0.06 0.00 0.52 0.00 0.00 54.79 54.45 2df4 n ASP 80 Cb 0.31 -0.15 0.09 0.00 -0.72 0.00 0.00 41.12 40.64 2df4 n ASP 80 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2df4 n ASN 81 N -0.06 2.32 -4.30 1.67 6.94 -1.26 -1.11 115.26 119.46 2df4 n ASN 81 Ca 0.00 -1.67 -0.36 0.00 -0.02 0.00 0.00 54.58 52.53 2df4 n ASN 81 Cb 0.08 -0.09 -0.13 0.00 -2.36 0.00 0.00 39.78 37.27 2df4 n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2df4 s ILE 82 N -0.96 3.56 0.12 1.53 1.01 -0.60 -1.37 121.20 124.50 2df4 s ILE 82 Ca 0.17 -0.74 -0.33 0.00 0.00 0.00 0.00 60.65 59.76 2df4 s ILE 82 Cb 0.10 -2.79 -0.12 0.00 0.01 0.00 0.00 42.46 39.66 2df4 s ILE 82 CO 0.15 0.18 1.74 -0.38 0.00 0.00 0.00 174.94 176.63 2df4 n ILE 83 N 4.80 0.22 -4.30 2.92 5.41 0.37 -4.87 119.36 123.90 2df4 n ILE 83 Ca -0.16 -0.04 -0.29 0.00 1.00 0.00 0.00 62.75 63.26 2df4 n ILE 83 Cb 0.48 -1.88 -0.17 0.00 -0.71 0.00 0.00 39.64 37.37 2df4 n ILE 83 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2df4 s THR 84 N 2.06 1.57 0.14 1.39 -4.23 -1.26 -3.31 115.64 112.00 2df4 s THR 84 Ca 0.81 -0.66 -0.33 0.00 -1.18 0.00 0.00 61.69 60.33 2df4 s THR 84 Cb -0.58 -1.44 -0.12 0.00 1.34 0.00 0.00 72.50 71.70 2df4 s THR 84 CO 0.39 0.46 1.72 -3.20 -0.54 0.00 0.00 174.62 173.44 2df4 n ASN 85 N 4.41 3.67 0.00 3.99 4.05 -1.25 -2.07 115.26 128.05 2df4 n ASN 85 Ca -0.18 1.04 0.00 0.00 0.45 0.00 0.00 54.58 55.89 2df4 n ASN 85 Cb 0.51 -1.50 0.00 0.00 1.23 0.00 0.00 39.78 40.02 2df4 n ASN 85 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2df4 n GLY 86 N 3.90 1.56 3.69 8.20 0.00 -1.00 -4.95 105.19 116.60 2df4 n GLY 86 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2df4 n GLY 86 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2df4 s LEU 87 N 0.00 4.17 -0.35 0.99 0.20 -0.88 -4.87 118.68 117.94 2df4 s LEU 87 Ca 0.00 0.29 -0.37 0.00 0.69 0.00 0.00 54.13 54.74 2df4 s LEU 87 Cb 0.00 -2.23 -0.13 0.00 -0.43 0.00 0.00 46.19 43.40 2df4 s LEU 87 CO 0.00 0.08 2.10 1.21 -0.29 0.00 0.00 176.35 179.44 2df4 n GLU 88 N 3.98 0.96 -3.89 1.98 2.13 -1.26 -4.34 120.64 120.20 2df4 n GLU 88 Ca -0.13 0.29 -0.35 0.00 0.66 0.00 0.00 57.16 57.62 2df4 n GLU 88 Cb 0.52 -2.26 -0.14 0.00 0.27 0.00 0.00 31.44 29.83 2df4 n GLU 88 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2df4 s THR 89 N 6.38 3.23 -0.33 6.31 2.01 -0.75 -4.73 115.64 127.76 2df4 s THR 89 Ca 1.09 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 62.23 2df4 s THR 89 Cb -0.98 -2.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.80 2df4 s THR 89 CO 0.55 0.15 0.30 0.35 -0.69 0.00 0.00 174.62 175.28 2df4 n THR 90 N 4.73 0.00 -2.01 -0.82 -2.24 -1.25 -4.44 114.28 108.25 2df4 n THR 90 Ca -0.16 -0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.10 2df4 n THR 90 Cb 0.47 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 2df4 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2df4 n ALA 92 N -0.61 -2.09 -3.00 0.00 0.00 -1.26 -1.95 120.51 111.59 2df4 n ALA 92 Ca -0.20 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 2df4 n ALA 92 Cb 0.64 -1.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 2df4 n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2df4 s SER 93 N -4.25 -0.05 0.20 0.00 0.15 -0.65 -2.99 113.70 106.11 2df4 s SER 93 Ca 0.07 0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.67 2df4 s SER 93 Cb -0.03 0.20 0.22 0.00 -1.71 0.00 0.00 66.02 64.71 2df4 s SER 93 CO 0.89 -0.12 1.76 0.50 1.20 0.00 0.00 173.24 177.47 2df4 h LYS 94 N 5.53 0.45 -1.20 5.44 3.64 -1.87 -1.95 116.57 126.62 2df4 h LYS 94 Ca -0.27 -0.03 0.39 0.00 -1.27 0.00 0.00 60.65 59.47 2df4 h LYS 94 Cb 1.20 -0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.79 2df4 h LYS 94 CO 0.43 0.30 0.75 1.98 -2.27 0.00 0.00 179.45 180.64 2df4 h MET 95 N 0.47 0.16 -0.10 1.90 4.05 -1.80 -1.07 114.93 118.55 2df4 h MET 95 Ca 0.27 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 2df4 h MET 95 Cb 0.27 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 2df4 h MET 95 CO -0.24 0.11 -0.06 -0.11 0.23 0.00 0.00 176.91 176.84 2df4 n LEU 96 N -4.78 2.93 -4.71 3.39 7.94 -0.76 0.70 117.00 121.70 2df4 n LEU 96 Ca 0.34 -3.20 -0.42 0.00 -1.11 0.00 0.00 56.01 51.62 2df4 n LEU 96 Cb 1.25 -0.49 -0.03 0.00 0.53 0.00 0.00 43.42 44.69 2df4 n LEU 96 CO 0.18 0.81 1.18 -0.70 -1.11 0.00 0.00 177.39 177.75 2df4 s GLU 97 N -2.93 4.25 0.00 1.96 2.12 -0.41 -1.83 118.70 121.87 2df4 s GLU 97 Ca 0.36 2.24 0.00 0.00 0.36 0.00 0.00 54.97 57.93 2df4 s GLU 97 Cb 0.32 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2df4 s GLU 97 CO 0.03 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 2df4 n GLY 98 N 3.69 1.33 3.68 -1.50 0.00 -1.26 -4.87 105.19 106.27 2df4 n GLY 98 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2df4 n GLY 98 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2df4 s PHE 99 N -3.02 2.36 -0.38 1.61 5.36 -0.76 -4.96 117.98 118.20 2df4 s PHE 99 Ca 0.00 0.33 -0.03 0.00 -0.96 0.00 0.00 56.93 56.27 2df4 s PHE 99 Cb 0.00 -3.94 0.09 0.00 -0.34 0.00 0.00 43.02 38.83 2df4 s PHE 99 CO 0.00 -3.78 0.15 0.08 -1.46 0.00 0.00 175.22 170.21 2df4 s VAL 100 N 2.88 3.24 0.33 3.12 1.01 -1.26 -1.80 120.40 127.92 2df4 s VAL 100 Ca 0.73 -1.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 2df4 s VAL 100 Cb -0.38 -3.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.75 2df4 s VAL 100 CO 0.32 -0.51 0.84 -2.65 0.00 0.00 0.00 175.10 173.09 2df4 n PRO 101 N 4.61 0.99 -0.11 2.72 -0.02 -1.26 -4.80 135.00 137.14 2df4 n PRO 101 Ca -0.06 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 2df4 n PRO 101 Cb 0.42 -1.68 0.14 0.00 -0.02 0.00 0.00 33.50 32.36 2df4 n PRO 101 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2df4 n ILE 102 N -0.16 0.38 -4.04 4.25 -5.35 -1.26 -2.37 119.36 110.82 2df4 n ILE 102 Ca 0.11 -0.69 -0.08 0.00 -0.27 0.00 0.00 62.75 61.82 2df4 n ILE 102 Cb 0.34 1.03 -0.09 0.00 -1.74 0.00 0.00 39.64 39.18 2df4 n ILE 102 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 2df4 s TYR 103 N -1.28 0.46 -0.14 4.28 1.13 -1.26 -4.97 117.35 115.57 2df4 s TYR 103 Ca 0.27 -0.96 -0.10 0.00 -1.41 0.00 0.00 57.07 54.87 2df4 s TYR 103 Cb 0.16 -0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.67 2df4 s TYR 103 CO 0.23 -0.45 0.19 -2.00 -2.51 0.00 0.00 175.55 171.02 2df4 s GLU 104 N -3.92 3.89 0.60 -3.49 2.56 -1.26 -3.91 118.70 113.16 2df4 s GLU 104 Ca 0.09 -0.06 -0.16 0.00 0.00 0.00 0.00 54.97 54.84 2df4 s GLU 104 Cb 0.07 -3.31 -0.03 0.00 2.00 0.00 0.00 34.13 32.85 2df4 s GLU 104 CO -0.09 0.51 1.07 -1.54 -0.56 0.00 0.00 175.26 174.65 2df4 s SER 105 N -0.30 5.72 0.34 -1.70 1.04 -1.21 -4.88 113.70 112.71 2df4 s SER 105 Ca 0.14 1.86 0.04 0.00 0.48 0.00 0.00 55.95 58.47 2df4 s SER 105 Cb -0.12 -2.54 0.62 0.00 0.10 0.00 0.00 66.02 64.08 2df4 s SER 105 CO 0.03 -1.21 1.89 0.74 0.98 0.00 0.00 173.24 175.67 2df4 h THR 106 N 0.47 1.19 -0.32 2.02 2.02 -1.53 -0.76 112.91 116.00 2df4 h THR 106 Ca -0.47 -0.73 -0.14 0.00 0.77 0.00 0.00 66.41 65.84 2df4 h THR 106 Cb 1.23 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2df4 h THR 106 CO 0.57 0.25 -0.35 -0.37 0.37 0.00 0.00 175.52 175.99 2df4 h VAL 107 N 0.52 1.29 -0.31 3.16 -1.51 -1.89 -1.66 116.25 115.84 2df4 h VAL 107 Ca 0.12 -1.53 -0.07 0.00 -1.23 0.00 0.00 66.70 63.99 2df4 h VAL 107 Cb 0.29 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 2df4 h VAL 107 CO 0.01 0.50 -0.11 0.24 -1.23 0.00 0.00 177.57 176.98 2df4 h MET 108 N 0.59 0.53 0.50 5.19 2.07 -1.82 0.77 114.93 122.76 2df4 h MET 108 Ca 0.05 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.51 2df4 h MET 108 Cb 0.94 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.60 2df4 h MET 108 CO 0.09 0.63 -0.38 1.49 1.07 0.00 0.00 176.91 179.81 2df4 h GLU 109 N 0.49 -0.83 -0.46 1.72 4.57 -0.86 -0.37 114.58 118.83 2df4 h GLU 109 Ca 0.09 0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.37 2df4 h GLU 109 Cb 0.48 0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 2df4 h GLU 109 CO 0.03 -0.55 0.23 0.87 -1.18 0.00 0.00 179.01 178.40 2df4 h LYS 110 N -0.86 0.45 -0.17 1.92 1.57 -0.97 -2.01 116.57 116.50 2df4 h LYS 110 Ca -0.05 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2df4 h LYS 110 Cb 0.73 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2df4 h LYS 110 CO 0.01 0.30 0.03 -0.07 -0.57 0.00 0.00 179.45 179.14 2df4 h LEU 111 N 0.46 -0.01 -0.68 2.94 3.38 -0.64 -1.55 115.31 119.22 2df4 h LEU 111 Ca 0.20 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.26 2df4 h LEU 111 Cb 0.11 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2df4 h LEU 111 CO -0.14 0.02 0.37 0.45 0.09 0.00 0.00 178.44 179.23 2df4 h HIS 112 N 0.09 0.67 -0.36 1.13 3.86 -0.87 0.28 115.15 119.96 2df4 h HIS 112 Ca 0.08 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 2df4 h HIS 112 Cb 0.07 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 2df4 h HIS 112 CO -0.14 0.31 0.26 -0.22 0.86 0.00 0.00 177.93 179.00 2df4 h LYS 113 N 0.67 0.00 -0.49 2.45 3.64 -0.61 0.73 116.57 122.96 2df4 h LYS 113 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2df4 h LYS 113 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2df4 h LYS 113 CO -0.20 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.37 2df4 n GLU 114 N -4.39 2.21 -3.20 1.90 -0.58 0.05 -4.72 120.64 111.91 2df4 n GLU 114 Ca 0.06 -1.64 -0.23 0.00 -0.42 0.00 0.00 57.16 54.93 2df4 n GLU 114 Cb 0.44 -1.43 0.05 0.00 -0.57 0.00 0.00 31.44 29.93 2df4 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2df4 n ASN 115 N 0.74 -6.24 -4.84 1.62 3.02 0.26 -2.70 115.26 107.12 2df4 n ASN 115 Ca 0.15 -0.37 -0.32 0.00 -0.03 0.00 0.00 54.58 54.02 2df4 n ASN 115 Cb 0.44 -5.00 -0.02 0.00 -0.61 0.00 0.00 39.78 34.59 2df4 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2df4 s ALA 116 N -3.23 3.01 -0.22 5.41 0.00 -1.03 -1.28 121.76 124.42 2df4 s ALA 116 Ca 0.39 0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 2df4 s ALA 116 Cb -0.17 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2df4 s ALA 116 CO 0.49 -0.45 0.06 0.08 0.00 0.00 0.00 175.76 175.93 2df4 s VAL 117 N -2.73 4.43 -0.60 0.00 1.01 -0.12 -4.71 120.40 117.68 2df4 s VAL 117 Ca 0.59 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 2df4 s VAL 117 Cb -0.11 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.26 2df4 s VAL 117 CO 0.38 0.39 1.17 -0.22 0.00 0.00 0.00 175.10 176.82 2df4 s LEU 118 N 1.14 3.50 -0.00 3.92 2.96 -1.26 -0.67 118.68 128.27 2df4 s LEU 118 Ca 0.04 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 2df4 s LEU 118 Cb -0.14 -3.03 -0.30 0.00 0.50 0.00 0.00 46.19 43.22 2df4 s LEU 118 CO 0.03 -1.50 0.84 0.40 -1.32 0.00 0.00 176.35 174.80 2df4 h ILE 119 N 6.12 1.13 0.00 6.68 5.03 -1.72 -3.38 117.51 131.37 2df4 h ILE 119 Ca -0.26 -2.70 0.00 0.00 -0.12 0.00 0.00 64.86 61.78 2df4 h ILE 119 Cb 1.06 2.83 0.00 0.00 -3.03 0.00 0.00 36.82 37.68 2df4 h ILE 119 CO 1.19 0.84 0.00 0.61 -0.68 0.00 0.00 178.15 180.10 2df4 n GLY 120 N 1.73 -1.34 3.57 5.37 0.00 -1.25 -2.14 105.19 111.14 2df4 n GLY 120 Ca -0.19 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2df4 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2df4 s LYS 121 N -0.82 2.43 0.09 1.61 -0.14 0.07 -1.93 119.74 121.05 2df4 s LYS 121 Ca 0.00 -0.80 -0.03 0.00 -1.36 0.00 0.00 55.97 53.79 2df4 s LYS 121 Cb 0.00 -2.43 -0.05 0.00 -1.68 0.00 0.00 37.83 33.67 2df4 s LYS 121 CO 0.00 0.58 0.29 -0.51 -0.76 0.00 0.00 175.35 174.95 2df4 s LEU 122 N -1.53 4.32 0.68 3.17 2.01 0.76 -0.32 118.68 127.78 2df4 s LEU 122 Ca 0.17 0.44 -0.14 0.00 0.01 0.00 0.00 54.13 54.62 2df4 s LEU 122 Cb -0.11 -3.08 0.01 0.00 0.01 0.00 0.00 46.19 43.02 2df4 s LEU 122 CO 0.08 0.13 1.10 0.21 1.01 0.00 0.00 176.35 178.88 2df4 s ASN 123 N -2.39 5.03 0.36 2.29 2.47 0.38 -1.95 114.94 121.13 2df4 s ASN 123 Ca 0.37 1.92 -0.17 0.00 0.42 0.00 0.00 52.86 55.40 2df4 s ASN 123 Cb -0.13 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.18 2df4 s ASN 123 CO 0.25 -1.68 0.77 0.00 -3.72 0.00 0.00 177.10 172.72 2df4 s MET 124 N -4.35 2.12 0.74 0.43 0.23 -1.26 -1.77 119.30 115.44 2df4 s MET 124 Ca 0.65 -1.33 -0.11 0.00 -1.03 0.00 0.00 55.69 53.87 2df4 s MET 124 Cb -0.19 0.62 0.04 0.00 -1.53 0.00 0.00 34.83 33.77 2df4 s MET 124 CO 0.45 -0.99 1.08 -0.51 -2.03 0.00 0.00 175.02 173.03 2df4 s ASP 125 N -3.03 4.79 -0.12 -1.18 1.01 -0.96 -3.92 116.67 113.25 2df4 s ASP 125 Ca 0.15 1.79 -0.29 0.00 0.71 0.00 0.00 52.55 54.90 2df4 s ASP 125 Cb -0.05 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 2df4 s ASP 125 CO 0.10 -1.84 1.83 -0.70 0.21 0.00 0.00 175.17 174.77 2df4 s GLU 126 N -4.85 3.83 -1.46 8.23 2.12 -1.25 -2.77 118.70 122.53 2df4 s GLU 126 Ca 0.61 2.08 -0.12 0.00 0.36 0.00 0.00 54.97 57.90 2df4 s GLU 126 Cb -0.17 -4.13 0.06 0.00 0.26 0.00 0.00 34.13 30.15 2df4 s GLU 126 CO 0.54 -1.28 1.06 1.19 -0.54 0.00 0.00 175.26 176.23 2df4 n PHE 127 N 8.61 -2.52 -1.08 5.30 3.72 -0.82 -2.03 117.46 128.63 2df4 n PHE 127 Ca 0.21 0.95 -0.03 0.00 -0.05 0.00 0.00 57.45 58.53 2df4 n PHE 127 Cb 0.44 -4.40 -0.01 0.00 -0.94 0.00 0.00 39.48 34.57 2df4 n PHE 127 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2df4 n ALA 128 N -4.80 -0.04 -2.60 4.37 0.00 -1.12 -4.88 120.51 111.44 2df4 n ALA 128 Ca 0.02 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 2df4 n ALA 128 Cb 0.54 -1.50 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 2df4 n ALA 128 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2df4 s MET 129 N -2.15 3.05 0.00 0.00 -1.94 -0.86 -4.66 119.30 112.74 2df4 s MET 129 Ca 0.00 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 53.03 2df4 s MET 129 Cb 0.00 -3.85 0.00 0.00 2.01 0.00 0.00 34.83 32.99 2df4 s MET 129 CO 0.00 -0.66 0.00 0.41 -0.01 0.00 0.00 175.02 174.76 2df4 n GLY 130 N 5.10 4.22 0.18 -0.03 0.00 -1.26 -4.14 105.19 109.26 2df4 n GLY 130 Ca -0.12 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.68 2df4 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2df4 n GLY 131 N -1.79 4.22 0.00 -0.02 0.00 -1.26 -2.80 105.19 103.54 2df4 n GLY 131 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2df4 n GLY 131 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2df4 n SER 132 N -1.01 0.00 0.00 1.61 3.41 -1.24 -0.90 113.62 115.49 2df4 n SER 132 Ca 0.12 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 2df4 n SER 132 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2df4 n SER 132 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2df4 n THR 133 N 0.00 0.00 0.30 6.66 -1.04 -1.14 -4.37 114.28 114.69 2df4 n THR 133 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 2df4 n THR 133 Cb 0.43 -0.51 0.78 0.00 -1.82 0.00 0.00 70.33 69.21 2df4 n THR 133 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2df4 h GLU 134 N 0.00 0.00 0.00 -2.82 5.08 -1.89 -2.41 114.58 112.53 2df4 h GLU 134 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2df4 h GLU 134 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2df4 h GLU 134 CO 0.00 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.26 2df4 n THR 135 N -2.86 0.03 -1.74 1.13 -2.24 -1.26 -4.86 114.28 102.48 2df4 n THR 135 Ca -0.00 0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 2df4 n THR 135 Cb 0.20 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.86 2df4 n THR 135 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2df4 n SER 136 N -1.06 3.85 0.00 3.42 2.88 -0.91 -3.90 113.62 117.90 2df4 n SER 136 Ca 0.20 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 59.01 2df4 n SER 136 Cb 0.12 -1.59 0.77 0.00 -0.75 0.00 0.00 64.21 62.76 2df4 n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2df4 n TYR 137 N 2.39 0.00 -0.04 0.66 9.36 -1.16 -4.02 117.16 124.34 2df4 n TYR 137 Ca 0.10 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.27 2df4 n TYR 137 Cb 0.36 -0.13 -0.04 0.00 -0.63 0.00 0.00 39.34 38.90 2df4 n TYR 137 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2df4 n PHE 138 N -1.13 0.00 -3.59 2.98 3.72 -1.26 -4.94 117.46 113.24 2df4 n PHE 138 Ca 0.17 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.53 2df4 n PHE 138 Cb 0.15 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 38.35 2df4 n PHE 138 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2df4 s LYS 139 N -2.16 0.54 -0.31 -1.08 -2.85 -1.26 -5.13 119.74 107.49 2df4 s LYS 139 Ca -0.09 -0.23 -0.07 0.00 -1.00 0.00 0.00 55.97 54.58 2df4 s LYS 139 Cb 0.03 0.23 0.01 0.00 -2.06 0.00 0.00 37.83 36.04 2df4 s LYS 139 CO 0.21 -0.24 0.10 0.15 0.10 0.00 0.00 175.35 175.67 2df4 s LYS 140 N -2.68 3.00 0.64 1.78 1.02 -1.26 -4.48 119.74 117.77 2df4 s LYS 140 Ca 0.09 -0.92 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 2df4 s LYS 140 Cb -0.00 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2df4 s LYS 140 CO -0.05 -0.50 1.07 0.99 -0.92 0.00 0.00 175.35 175.94 2df4 s THR 141 N 1.49 3.75 0.21 2.17 2.01 -1.21 -4.81 115.64 119.25 2df4 s THR 141 Ca 0.02 0.73 0.10 0.00 0.31 0.00 0.00 61.69 62.85 2df4 s THR 141 Cb -0.18 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2df4 s THR 141 CO 0.03 -0.59 -0.20 0.68 -0.69 0.00 0.00 174.62 173.85 2df4 s VAL 142 N -2.64 2.12 -0.39 3.82 -7.23 -0.45 -4.32 120.40 111.32 2df4 s VAL 142 Ca 0.62 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 2df4 s VAL 142 Cb -0.16 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.73 2df4 s VAL 142 CO 0.44 -0.32 1.29 0.21 -0.31 0.00 0.00 175.10 176.41 2df4 s ASN 143 N -2.96 6.54 0.51 4.85 3.84 -0.61 -4.65 114.94 122.47 2df4 s ASN 143 Ca 0.22 0.86 0.33 0.00 0.21 0.00 0.00 52.86 54.48 2df4 s ASN 143 Cb -0.06 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.56 2df4 s ASN 143 CO 0.10 -1.25 1.77 -0.65 -2.79 0.00 0.00 177.10 174.28 2df4 h PRO 144 N 9.76 0.09 0.00 0.43 0.11 -1.91 0.40 132.00 140.88 2df4 h PRO 144 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2df4 h PRO 144 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2df4 h PRO 144 CO 1.08 0.06 0.00 0.74 -0.21 0.00 0.00 178.00 179.67 2df4 h PHE 145 N 0.09 0.00 -0.88 0.65 -1.00 -1.91 -3.42 116.94 110.47 2df4 h PHE 145 Ca 0.61 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.47 2df4 h PHE 145 Cb 2.21 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 41.56 2df4 h PHE 145 CO -0.00 0.00 -0.27 0.34 -1.61 0.00 0.00 178.31 176.77 2df4 s ASP 146 N -5.78 -1.36 0.00 2.17 -1.08 0.14 -4.78 116.67 105.98 2df4 s ASP 146 Ca 0.06 0.40 0.10 0.00 -0.52 0.00 0.00 52.55 52.59 2df4 s ASP 146 Cb 0.07 1.96 0.50 0.00 -1.46 0.00 0.00 42.92 43.99 2df4 s ASP 146 CO 0.62 -0.25 1.26 1.41 0.52 0.00 0.00 175.17 178.73 2df4 n HIS 147 N 5.39 0.00 1.21 -5.34 8.25 -1.09 -0.65 115.22 122.99 2df4 n HIS 147 Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 2df4 n HIS 147 Cb 0.53 -0.35 0.30 0.00 1.12 0.00 0.00 29.99 31.60 2df4 n HIS 147 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2df4 n LYS 148 N -1.35 1.06 -4.31 -0.41 4.76 -1.26 -4.76 118.16 111.89 2df4 n LYS 148 Ca 0.04 -0.70 -0.23 0.00 -2.87 0.00 0.00 58.31 54.55 2df4 n LYS 148 Cb 0.09 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 2df4 n LYS 148 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2df4 s ALA 149 N -2.43 3.13 0.62 7.82 0.00 0.17 -2.32 121.76 128.75 2df4 s ALA 149 Ca 0.25 -1.68 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 2df4 s ALA 149 Cb 0.19 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2df4 s ALA 149 CO 0.50 0.26 1.03 0.14 0.00 0.00 0.00 175.76 177.70 2df4 s VAL 150 N -2.34 4.70 0.03 0.00 -7.23 -0.69 -1.57 120.40 113.30 2df4 s VAL 150 Ca 0.31 0.89 0.06 0.00 -1.81 0.00 0.00 61.98 61.43 2df4 s VAL 150 Cb -0.06 -3.86 -0.24 0.00 0.56 0.00 0.00 36.38 32.78 2df4 s VAL 150 CO 0.19 -1.13 0.94 -0.65 -0.31 0.00 0.00 175.10 174.14 2df4 h PRO 151 N -0.28 0.07 0.00 4.82 0.11 -1.78 -3.37 132.00 131.58 2df4 h PRO 151 Ca -0.44 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2df4 h PRO 151 Cb 1.19 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2df4 h PRO 151 CO 0.62 0.86 0.00 0.41 -0.21 0.00 0.00 178.00 179.68 2df4 n GLY 152 N 1.51 2.54 3.09 -0.55 0.00 -1.26 -4.19 105.19 106.33 2df4 n GLY 152 Ca -0.11 -2.09 -0.14 0.00 0.00 0.00 0.00 46.02 43.68 2df4 n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2df4 s GLY 153 N 0.00 0.59 0.03 -0.02 0.00 -0.08 -2.89 107.32 104.95 2df4 s GLY 153 Ca 0.00 -0.81 0.22 0.00 0.00 0.00 0.00 44.72 44.13 2df4 s GLY 153 CO 0.00 -0.85 0.76 -1.14 0.00 0.00 0.00 173.10 171.87 2df4 n SER 154 N 1.47 0.41 -0.92 1.64 3.41 -1.12 -3.98 113.62 114.52 2df4 n SER 154 Ca -0.22 -0.13 -0.01 0.00 -0.26 0.00 0.00 58.87 58.25 2df4 n SER 154 Cb 0.55 1.33 0.02 0.00 -0.26 0.00 0.00 64.21 65.85 2df4 n SER 154 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2df4 n SER 155 N -2.15 2.42 -0.33 4.04 7.64 -0.14 -2.26 113.62 122.84 2df4 n SER 155 Ca -0.01 -2.12 0.27 0.00 1.01 0.00 0.00 58.87 58.02 2df4 n SER 155 Cb 0.50 -0.53 0.50 0.00 -1.01 0.00 0.00 64.21 63.68 2df4 n SER 155 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2df4 h GLY 156 N 4.20 2.00 1.15 0.23 0.00 -1.75 0.41 103.07 109.31 2df4 h GLY 156 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2df4 h GLY 156 CO 0.08 -0.70 0.53 -1.33 0.00 0.00 0.00 176.54 175.12 2df4 h GLY 157 N 0.05 1.21 1.07 4.60 0.00 -1.58 -0.76 103.07 107.66 2df4 h GLY 157 Ca 0.77 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 2df4 h GLY 157 CO -0.78 0.47 -0.25 1.76 0.00 0.00 0.00 176.54 177.74 2df4 h SER 158 N 1.16 0.94 -0.09 0.19 0.02 -0.37 -1.49 113.55 113.91 2df4 h SER 158 Ca 0.31 -0.42 -0.18 0.00 -0.84 0.00 0.00 61.79 60.65 2df4 h SER 158 Cb -0.08 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 2df4 h SER 158 CO -0.06 1.16 -0.61 0.00 -1.14 0.00 0.00 176.83 176.18 2df4 h ALA 159 N 0.82 0.54 -0.23 3.77 0.00 -1.27 -3.13 119.26 119.74 2df4 h ALA 159 Ca 0.09 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 2df4 h ALA 159 Cb 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2df4 h ALA 159 CO 0.07 0.69 -0.45 0.00 0.00 0.00 0.00 179.25 179.56 2df4 h ALA 160 N 0.79 0.37 -0.40 0.00 0.00 -1.12 -2.45 119.26 116.45 2df4 h ALA 160 Ca -0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2df4 h ALA 160 Cb 1.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2df4 h ALA 160 CO 0.12 0.51 0.18 0.00 0.00 0.00 0.00 179.25 180.06 2df4 h ALA 161 N 0.63 1.57 0.03 0.00 0.00 -1.34 0.31 119.26 120.46 2df4 h ALA 161 Ca 0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 2df4 h ALA 161 Cb 1.05 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.69 2df4 h ALA 161 CO 0.10 0.35 -0.87 0.28 0.00 0.00 0.00 179.25 179.11 2df4 h VAL 162 N 0.56 1.36 -0.12 0.00 2.07 -1.56 0.77 116.25 119.34 2df4 h VAL 162 Ca 0.14 -2.23 -0.11 0.00 0.82 0.00 0.00 66.70 65.32 2df4 h VAL 162 Cb 0.08 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2df4 h VAL 162 CO -0.02 0.67 -0.42 0.00 0.02 0.00 0.00 177.57 177.82 2df4 h ALA 163 N 0.32 1.07 -0.19 1.67 0.00 -1.12 -2.57 119.26 118.44 2df4 h ALA 163 Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2df4 h ALA 163 Cb 1.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2df4 h ALA 163 CO 0.17 0.60 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2df4 n ALA 164 N -2.48 2.49 -3.64 0.00 0.00 0.11 -4.84 120.51 112.14 2df4 n ALA 164 Ca -0.02 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.87 2df4 n ALA 164 Cb 0.49 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 19.00 2df4 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2df4 n GLY 165 N 0.79 -0.31 0.03 0.00 0.00 -0.97 -4.89 105.19 99.84 2df4 n GLY 165 Ca 0.07 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.24 2df4 n GLY 165 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2df4 n LEU 166 N -4.24 0.00 -3.60 0.99 4.77 0.25 -4.72 117.00 110.46 2df4 n LEU 166 Ca -0.30 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 2df4 n LEU 166 Cb 0.68 0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.84 2df4 n LEU 166 CO 0.67 0.12 0.23 0.68 -1.33 0.00 0.00 177.39 177.77 2df4 s VAL 167 N -2.93 0.04 0.08 4.08 -7.23 -1.21 -4.84 120.40 108.39 2df4 s VAL 167 Ca -0.07 -0.34 -0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2df4 s VAL 167 Cb 0.09 -1.00 -0.27 0.00 0.56 0.00 0.00 36.38 35.76 2df4 s VAL 167 CO 0.69 -0.19 1.16 1.55 -0.31 0.00 0.00 175.10 178.01 2df4 h PRO 168 N 2.75 0.27 -3.66 4.82 0.13 -1.87 -3.40 132.00 131.04 2df4 h PRO 168 Ca -0.32 -0.44 -0.13 0.00 -0.87 0.00 0.00 66.00 64.24 2df4 h PRO 168 Cb 1.22 0.16 -0.19 0.00 0.13 0.00 0.00 31.00 32.33 2df4 h PRO 168 CO 0.42 1.20 -0.50 -0.48 -0.23 0.00 0.00 178.00 178.42 2df4 s LEU 169 N -7.18 1.66 0.14 1.56 -0.00 -1.26 -4.20 118.68 109.41 2df4 s LEU 169 Ca -0.04 -0.38 -0.13 0.00 -0.00 0.00 0.00 54.13 53.58 2df4 s LEU 169 Cb 0.07 0.67 0.01 0.00 -0.00 0.00 0.00 46.19 46.94 2df4 s LEU 169 CO 0.88 -0.46 0.35 -0.94 -0.00 0.00 0.00 176.35 176.18 2df4 s SER 170 N -1.82 -0.08 0.11 1.48 1.04 -0.74 -2.27 113.70 111.42 2df4 s SER 170 Ca -0.09 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 55.80 2df4 s SER 170 Cb -0.04 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 2df4 s SER 170 CO -0.02 -0.88 0.04 -0.76 0.98 0.00 0.00 173.24 172.60 2df4 s LEU 171 N -2.88 3.57 0.29 2.42 1.02 -0.42 -0.73 118.68 121.95 2df4 s LEU 171 Ca 0.09 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.08 2df4 s LEU 171 Cb 0.02 -2.26 -0.02 0.00 0.02 0.00 0.00 46.19 43.95 2df4 s LEU 171 CO -0.06 0.15 0.30 -0.83 0.02 0.00 0.00 176.35 175.93 2df4 s GLY 172 N -2.52 1.70 -0.02 -3.19 0.00 -0.15 -2.52 107.32 100.63 2df4 s GLY 172 Ca 0.27 -1.72 0.05 0.00 0.00 0.00 0.00 44.72 43.33 2df4 s GLY 172 CO 0.20 -1.25 -0.17 -1.35 0.00 0.00 0.00 173.10 170.53 2df4 s SER 173 N -3.24 2.02 -0.09 1.64 1.04 -1.26 -0.84 113.70 112.97 2df4 s SER 173 Ca 0.36 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.51 2df4 s SER 173 Cb 0.03 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2df4 s SER 173 CO 0.20 0.20 -0.20 -0.62 0.98 0.00 0.00 173.24 173.79 2df4 s ASP 174 N -0.31 2.71 0.00 7.02 -1.08 0.22 -3.66 116.67 121.57 2df4 s ASP 174 Ca 0.04 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.59 2df4 s ASP 174 Cb -0.08 -1.24 0.00 0.00 -1.46 0.00 0.00 42.92 40.14 2df4 s ASP 174 CO -0.00 0.12 0.00 0.41 0.52 0.00 0.00 175.17 176.21 2df4 n THR 175 N 3.66 0.00 -1.86 1.71 -1.04 -1.26 -1.39 114.28 114.09 2df4 n THR 175 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2df4 n THR 175 Cb 0.52 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 2df4 n THR 175 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2df4 n GLY 176 N 2.39 0.30 0.00 3.41 0.00 -1.26 -4.68 105.19 105.35 2df4 n GLY 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2df4 n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2df4 n GLY 177 N 0.00 0.88 0.00 -0.02 0.00 -1.26 -3.09 105.19 101.70 2df4 n GLY 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2df4 n GLY 177 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2df4 n SER 178 N 0.00 0.00 -0.01 1.61 7.64 -1.26 -0.43 113.62 121.18 2df4 n SER 178 Ca 0.00 0.06 -0.01 0.00 1.01 0.00 0.00 58.87 59.93 2df4 n SER 178 Cb 0.00 -0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2df4 n SER 178 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2df4 n ILE 179 N -1.01 0.07 -0.08 0.44 5.41 -1.24 -0.97 119.36 121.97 2df4 n ILE 179 Ca 0.00 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.61 2df4 n ILE 179 Cb 0.01 -1.35 -0.05 0.00 -0.71 0.00 0.00 39.64 37.54 2df4 n ILE 179 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2df4 h ARG 180 N -0.04 0.56 -0.11 0.38 3.08 -1.77 -2.41 114.38 114.07 2df4 h ARG 180 Ca -0.03 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 2df4 h ARG 180 Cb 1.03 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2df4 h ARG 180 CO -0.02 0.84 0.05 0.37 -1.07 0.00 0.00 179.97 180.14 2df4 h GLN 181 N 0.27 0.17 0.00 0.04 -0.00 -1.04 0.11 115.11 114.65 2df4 h GLN 181 Ca 0.05 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.64 2df4 h GLN 181 Cb 0.70 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.15 2df4 h GLN 181 CO 0.05 0.25 -0.14 -1.35 0.00 0.00 0.00 178.83 177.64 2df4 h PRO 182 N 0.04 0.00 0.16 -2.39 0.11 -1.72 -0.66 132.00 127.54 2df4 h PRO 182 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2df4 h PRO 182 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2df4 h PRO 182 CO -0.00 0.14 -0.08 0.00 -0.21 0.00 0.00 178.00 177.84 2df4 h ALA 183 N 1.86 -0.22 -0.48 -0.75 0.00 -0.87 -1.81 119.26 116.99 2df4 h ALA 183 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2df4 h ALA 183 Cb 0.25 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2df4 h ALA 183 CO 0.02 -0.48 0.24 0.00 0.00 0.00 0.00 179.25 179.02 2df4 h ALA 184 N 0.27 0.61 -0.65 0.00 0.00 -0.17 0.19 119.26 119.52 2df4 h ALA 184 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2df4 h ALA 184 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2df4 h ALA 184 CO 0.04 -0.12 0.37 1.88 0.00 0.00 0.00 179.25 181.42 2df4 h TYR 185 N 0.46 0.87 -0.11 0.00 -1.99 -1.12 -2.27 116.97 112.82 2df4 h TYR 185 Ca 0.21 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.93 2df4 h TYR 185 Cb 0.13 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.58 2df4 h TYR 185 CO -0.11 0.60 0.00 0.00 -0.00 0.00 0.00 178.16 178.66 2df4 n GLY 187 N 1.10 -0.53 3.55 0.00 0.00 0.53 -4.85 105.19 104.99 2df4 n GLY 187 Ca 0.17 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 2df4 n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2df4 s VAL 188 N -3.32 1.50 -0.28 1.61 -7.23 -0.41 -4.61 120.40 107.66 2df4 s VAL 188 Ca 0.57 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.48 2df4 s VAL 188 Cb -0.26 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 33.88 2df4 s VAL 188 CO 0.74 0.00 0.90 -0.69 -0.31 0.00 0.00 175.10 175.74 2df4 s VAL 189 N -3.00 4.72 0.07 1.32 1.01 -0.26 -4.35 120.40 119.91 2df4 s VAL 189 Ca 0.33 1.54 0.09 0.00 0.00 0.00 0.00 61.98 63.94 2df4 s VAL 189 Cb 0.08 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2df4 s VAL 189 CO 0.15 -0.24 -0.25 -0.83 0.00 0.00 0.00 175.10 173.93 2df4 s GLY 190 N 1.49 1.48 -0.09 4.51 0.00 -0.73 -1.63 107.32 112.35 2df4 s GLY 190 Ca 0.38 -1.31 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 2df4 s GLY 190 CO 0.11 -1.22 0.16 -0.29 0.00 0.00 0.00 173.10 171.85 2df4 s MET 191 N -1.49 0.03 -0.51 2.90 1.75 -0.96 -1.26 119.30 119.77 2df4 s MET 191 Ca 0.13 0.53 -0.13 0.00 -1.25 0.00 0.00 55.69 54.97 2df4 s MET 191 Cb -0.10 -0.36 0.12 0.00 2.84 0.00 0.00 34.83 37.34 2df4 s MET 191 CO 0.04 -0.33 0.43 0.21 -0.65 0.00 0.00 175.02 174.71 2df4 s LYS 192 N 2.28 2.75 1.19 4.11 2.20 -0.75 -3.36 119.74 128.18 2df4 s LYS 192 Ca 0.03 -1.73 -0.13 0.00 -0.36 0.00 0.00 55.97 53.78 2df4 s LYS 192 Cb -0.12 -4.12 0.29 0.00 -1.51 0.00 0.00 37.83 32.36 2df4 s LYS 192 CO -0.06 -1.26 0.92 -0.35 -0.36 0.00 0.00 175.35 174.24 2df4 n PRO 193 N 5.09 -2.56 -1.75 4.03 -0.04 -1.26 -2.03 135.00 136.48 2df4 n PRO 193 Ca -0.11 -0.72 -0.37 0.00 -0.04 0.00 0.00 63.50 62.26 2df4 n PRO 193 Cb 0.40 -2.11 0.06 0.00 -0.04 0.00 0.00 33.50 31.82 2df4 n PRO 193 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2df4 s THR 194 N -2.37 2.04 0.10 0.52 2.01 -1.26 -4.56 115.64 112.11 2df4 s THR 194 Ca 0.68 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 62.39 2df4 s THR 194 Cb -0.25 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 2df4 s THR 194 CO 0.66 -0.00 1.83 -0.47 -0.69 0.00 0.00 174.62 175.94 2df4 s TYR 195 N -1.38 2.03 0.00 4.92 5.04 -0.62 -1.22 117.35 126.11 2df4 s TYR 195 Ca 0.81 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 2df4 s TYR 195 Cb -0.38 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 37.77 2df4 s TYR 195 CO 0.41 -4.86 0.00 0.41 -1.34 0.00 0.00 175.55 170.17 2df4 n GLY 196 N 4.26 0.42 0.15 8.97 0.00 -1.26 -4.87 105.19 112.86 2df4 n GLY 196 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2df4 n GLY 196 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2df4 h ARG 197 N 3.51 0.53 -4.96 1.61 9.65 -1.50 0.72 114.38 123.95 2df4 h ARG 197 Ca 0.00 -0.78 -0.65 0.00 -1.10 0.00 0.00 59.98 57.45 2df4 h ARG 197 Cb 0.00 0.27 -0.35 0.00 -1.39 0.00 0.00 29.97 28.50 2df4 h ARG 197 CO 0.00 1.36 -0.85 0.08 2.80 0.00 0.00 179.97 183.36 2df4 s VAL 198 N -2.82 1.89 0.54 0.20 1.01 -1.26 -2.13 120.40 117.82 2df4 s VAL 198 Ca -0.08 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 2df4 s VAL 198 Cb 0.06 -1.72 -0.15 0.00 0.00 0.00 0.00 36.38 34.57 2df4 s VAL 198 CO 0.93 0.51 -0.14 -0.24 0.00 0.00 0.00 175.10 176.16 2df4 n SER 199 N 4.53 -3.69 -0.27 3.32 2.88 -1.26 -4.58 113.62 114.55 2df4 n SER 199 Ca -0.20 0.63 0.04 0.00 -1.33 0.00 0.00 58.87 58.01 2df4 n SER 199 Cb 0.50 -0.86 0.03 0.00 -0.75 0.00 0.00 64.21 63.13 2df4 n SER 199 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2df4 n ARG 200 N 1.48 0.35 -2.07 -1.46 1.74 -1.26 -4.71 116.66 110.74 2df4 n ARG 200 Ca 0.07 -0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 55.86 2df4 n ARG 200 Cb 0.48 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 30.77 2df4 n ARG 200 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2df4 s PHE 201 N -0.68 1.87 0.00 -1.55 5.36 -1.26 -1.36 117.98 120.36 2df4 s PHE 201 Ca 0.08 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.72 2df4 s PHE 201 Cb 0.06 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.59 2df4 s PHE 201 CO 0.10 -2.63 0.00 0.41 -1.46 0.00 0.00 175.22 171.64 2df4 n GLY 202 N 5.43 0.93 3.46 13.12 0.00 -1.26 -1.27 105.19 125.61 2df4 n GLY 202 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2df4 n GLY 202 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2df4 s LEU 203 N 0.00 4.31 -0.15 0.99 2.96 -0.46 -0.48 118.68 125.85 2df4 s LEU 203 Ca 0.00 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.08 2df4 s LEU 203 Cb 0.00 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.58 2df4 s LEU 203 CO 0.00 -0.23 2.15 -0.69 -1.32 0.00 0.00 176.35 176.26 2df4 s VAL 204 N 1.64 3.01 0.57 1.68 1.01 -0.47 -4.88 120.40 122.97 2df4 s VAL 204 Ca 0.05 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2df4 s VAL 204 Cb -0.17 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2df4 s VAL 204 CO 0.08 -0.01 1.34 0.00 0.00 0.00 0.00 175.10 176.51 2df4 s ALA 205 N 7.32 2.72 0.00 5.51 0.00 -1.26 -4.94 121.76 131.11 2df4 s ALA 205 Ca 0.97 1.30 0.00 0.00 0.00 0.00 0.00 51.96 54.24 2df4 s ALA 205 Cb -0.35 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.20 2df4 s ALA 205 CO 0.37 -1.42 0.00 0.34 0.00 0.00 0.00 175.76 175.05 2df4 n PHE 206 N -1.23 0.00 -3.24 0.00 7.35 -1.26 -4.78 117.46 114.30 2df4 n PHE 206 Ca 0.12 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.63 2df4 n PHE 206 Cb 0.46 0.25 -0.07 0.00 0.35 0.00 0.00 39.48 40.47 2df4 n PHE 206 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2df4 s ALA 207 N -1.86 -0.16 0.44 3.13 0.00 -1.26 -2.90 121.76 119.15 2df4 s ALA 207 Ca 0.00 -1.38 0.36 0.00 0.00 0.00 0.00 51.96 50.94 2df4 s ALA 207 Cb 0.00 -2.04 1.46 0.00 0.00 0.00 0.00 23.12 22.54 2df4 s ALA 207 CO 0.00 -2.11 1.45 0.43 0.00 0.00 0.00 175.76 175.53 2df4 n SER 208 N 3.47 0.13 0.01 0.00 7.64 -1.26 0.65 113.62 124.26 2df4 n SER 208 Ca 0.19 1.18 0.12 0.00 1.01 0.00 0.00 58.87 61.37 2df4 n SER 208 Cb 0.48 -0.58 0.22 0.00 -1.01 0.00 0.00 64.21 63.32 2df4 n SER 208 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2df4 n SER 209 N -4.32 0.54 -0.02 6.43 3.41 -1.26 -4.33 113.62 114.07 2df4 n SER 209 Ca 0.39 -0.23 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 2df4 n SER 209 Cb 1.59 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 65.79 2df4 n SER 209 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2df4 n LEU 210 N -1.59 0.00 -4.63 1.04 7.99 0.21 -4.95 117.00 115.07 2df4 n LEU 210 Ca 0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.67 2df4 n LEU 210 Cb 0.35 0.10 0.05 0.00 -0.11 0.00 0.00 43.42 43.81 2df4 n LEU 210 CO 0.36 0.10 0.61 0.47 -1.51 0.00 0.00 177.39 177.42 2df4 n ASP 211 N -2.08 1.11 -3.65 -1.43 9.92 0.91 -4.17 116.55 117.17 2df4 n ASP 211 Ca -0.07 0.86 -0.03 0.00 -0.53 0.00 0.00 54.79 55.02 2df4 n ASP 211 Cb 0.55 -1.41 -0.07 0.00 -0.64 0.00 0.00 41.12 39.55 2df4 n ASP 211 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2df4 s GLN 212 N -2.67 0.24 0.15 -1.24 2.00 -0.49 -4.93 119.66 112.72 2df4 s GLN 212 Ca 0.73 0.33 -0.16 0.00 -2.00 0.00 0.00 55.36 54.27 2df4 s GLN 212 Cb -0.44 0.09 -0.07 0.00 0.80 0.00 0.00 33.01 33.39 2df4 s GLN 212 CO 0.49 -0.04 0.58 0.42 -0.50 0.00 0.00 175.29 176.25 2df4 s ILE 213 N 0.57 4.79 0.19 -2.34 1.01 -1.26 0.71 121.20 124.86 2df4 s ILE 213 Ca -0.00 0.96 -0.10 0.00 0.00 0.00 0.00 60.65 61.51 2df4 s ILE 213 Cb -0.04 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2df4 s ILE 213 CO -0.12 0.27 0.34 -0.83 0.00 0.00 0.00 174.94 174.61 2df4 s GLY 214 N -1.63 0.54 0.16 6.18 0.00 -0.02 -4.46 107.32 108.10 2df4 s GLY 214 Ca 0.38 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 44.21 2df4 s GLY 214 CO 0.19 -0.79 0.31 2.56 0.00 0.00 0.00 173.10 175.37 2df4 s PRO 215 N -3.99 3.45 -0.09 2.90 0.04 -1.21 -0.97 135.00 135.13 2df4 s PRO 215 Ca 0.20 -0.56 -0.00 0.00 0.04 0.00 0.00 61.00 60.68 2df4 s PRO 215 Cb 0.02 -2.94 0.02 0.00 0.04 0.00 0.00 34.50 31.65 2df4 s PRO 215 CO 0.03 0.49 -0.06 -0.51 0.04 0.00 0.00 177.00 177.00 2df4 s LEU 216 N -3.30 1.11 0.35 -3.56 1.02 0.09 -2.26 118.68 112.14 2df4 s LEU 216 Ca 0.35 -0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.33 2df4 s LEU 216 Cb -0.11 -0.68 -0.03 0.00 0.02 0.00 0.00 46.19 45.39 2df4 s LEU 216 CO 0.29 -0.11 0.20 0.42 0.02 0.00 0.00 176.35 177.17 2df4 s THR 217 N 1.52 0.25 -1.23 5.49 -4.23 -0.65 -1.78 115.64 115.01 2df4 s THR 217 Ca -0.00 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.77 2df4 s THR 217 Cb -0.13 -2.43 0.11 0.00 1.34 0.00 0.00 72.50 71.38 2df4 s THR 217 CO -0.05 0.00 1.50 0.54 -0.54 0.00 0.00 174.62 176.07 2df4 n ARG 218 N -0.72 0.25 -3.67 3.99 1.74 -1.26 -1.10 116.66 115.89 2df4 n ARG 218 Ca 0.01 -0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 2df4 n ARG 218 Cb 0.64 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.51 2df4 n ARG 218 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2df4 s ASN 219 N -2.85 -0.35 0.25 0.55 2.20 -1.26 -4.65 114.94 108.84 2df4 s ASN 219 Ca 0.15 0.25 -0.04 0.00 -0.94 0.00 0.00 52.86 52.28 2df4 s ASN 219 Cb 0.18 0.40 0.50 0.00 -2.00 0.00 0.00 41.25 40.33 2df4 s ASN 219 CO 0.63 -0.54 1.67 0.58 -2.94 0.00 0.00 177.10 176.50 2df4 h VAL 220 N 3.44 0.45 0.76 3.54 2.07 -1.92 -2.76 116.25 121.82 2df4 h VAL 220 Ca -0.29 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2df4 h VAL 220 Cb 1.17 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2df4 h VAL 220 CO 0.40 0.04 -0.48 0.50 0.02 0.00 0.00 177.57 178.05 2df4 h LYS 221 N 0.23 -1.12 -1.00 1.57 3.11 -1.97 -2.61 116.57 114.77 2df4 h LYS 221 Ca 0.44 0.08 0.20 0.00 -2.81 0.00 0.00 60.65 58.55 2df4 h LYS 221 Cb 0.78 0.25 -0.10 0.00 -1.00 0.00 0.00 32.23 32.16 2df4 h LYS 221 CO -0.56 -0.75 0.61 -0.44 -2.81 0.00 0.00 179.45 175.50 2df4 h ASP 222 N -1.16 0.74 -0.99 4.20 3.32 -1.96 0.28 116.42 120.83 2df4 h ASP 222 Ca -0.10 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2df4 h ASP 222 Cb 0.94 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.39 2df4 h ASP 222 CO 0.09 0.25 0.65 -1.13 -1.72 0.00 0.00 179.24 177.38 2df4 h ASN 223 N 0.71 1.09 -0.12 6.45 -0.73 -1.23 -1.91 115.58 119.84 2df4 h ASN 223 Ca 0.58 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.72 2df4 h ASN 223 Cb 0.97 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.30 2df4 h ASN 223 CO -0.37 0.75 0.03 0.00 -0.37 0.00 0.00 177.43 177.48 2df4 h ALA 224 N 1.40 0.16 -0.38 1.57 0.00 -0.58 -2.40 119.26 119.03 2df4 h ALA 224 Ca 0.39 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2df4 h ALA 224 Cb -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 2df4 h ALA 224 CO -0.12 -0.22 -0.17 0.82 0.00 0.00 0.00 179.25 179.56 2df4 h ILE 225 N 0.00 0.47 -0.68 0.00 2.04 -1.05 -1.70 117.51 116.60 2df4 h ILE 225 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2df4 h ILE 225 Cb 0.23 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2df4 h ILE 225 CO -0.00 0.00 0.45 0.58 0.00 0.00 0.00 178.15 179.18 2df4 h VAL 226 N -0.10 1.16 0.00 1.67 2.07 -1.29 -1.42 116.25 118.33 2df4 h VAL 226 Ca 0.19 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2df4 h VAL 226 Cb 0.39 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2df4 h VAL 226 CO -0.44 0.17 -0.01 0.25 0.02 0.00 0.00 177.57 177.55 2df4 h LEU 227 N 0.90 0.00 -0.20 2.57 5.85 -0.80 -0.38 115.31 123.25 2df4 h LEU 227 Ca 0.26 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.76 2df4 h LEU 227 Cb -0.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 2df4 h LEU 227 CO -0.07 0.01 -0.94 -0.33 -0.34 0.00 0.00 178.44 176.78 2df4 h GLU 228 N 0.00 0.31 0.00 1.25 5.08 -0.57 -2.16 114.58 118.49 2df4 h GLU 228 Ca -0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2df4 h GLU 228 Cb 0.14 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2df4 h GLU 228 CO 0.00 1.05 0.00 0.00 -1.00 0.00 0.00 179.01 179.06 2df4 n ALA 229 N -2.51 2.09 0.00 3.43 0.00 -0.18 -3.80 120.51 119.55 2df4 n ALA 229 Ca -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2df4 n ALA 229 Cb 0.84 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.88 2df4 n ALA 229 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2df4 n ILE 230 N -1.57 0.00 -1.33 0.00 -5.35 -1.07 -4.36 119.36 105.68 2df4 n ILE 230 Ca 0.06 -0.04 -0.31 0.00 -0.27 0.00 0.00 62.75 62.19 2df4 n ILE 230 Cb 0.29 0.49 0.10 0.00 -1.74 0.00 0.00 39.64 38.77 2df4 n ILE 230 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2df4 s SER 231 N -2.11 4.41 0.00 7.28 0.01 -0.82 -4.53 113.70 117.94 2df4 s SER 231 Ca -0.00 1.65 0.00 0.00 1.31 0.00 0.00 55.95 58.91 2df4 s SER 231 Cb 0.01 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2df4 s SER 231 CO 0.05 -2.07 0.00 0.61 0.41 0.00 0.00 173.24 172.24 2df4 n GLY 232 N -1.42 3.95 3.70 3.44 0.00 -0.91 -5.00 105.19 108.95 2df4 n GLY 232 Ca 0.08 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 2df4 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2df4 s ALA 233 N -1.14 1.68 -0.15 4.61 0.00 -1.24 -4.29 121.76 121.23 2df4 s ALA 233 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2df4 s ALA 233 Cb 0.00 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.79 2df4 s ALA 233 CO 0.00 -2.46 0.37 0.34 0.00 0.00 0.00 175.76 174.01 2df4 s ASP 234 N -2.92 -0.44 0.21 0.00 2.15 -1.26 -5.01 116.67 109.39 2df4 s ASP 234 Ca 0.65 0.80 0.16 0.00 0.43 0.00 0.00 52.55 54.59 2df4 s ASP 234 Cb -0.21 0.69 0.80 0.00 -0.30 0.00 0.00 42.92 43.91 2df4 s ASP 234 CO 0.57 -0.19 1.48 1.33 -0.17 0.00 0.00 175.17 178.20 2df4 n VAL 235 N 4.29 1.25 1.11 1.11 0.24 -1.26 -0.61 118.33 124.46 2df4 n VAL 235 Ca -0.23 0.56 0.12 0.00 -2.04 0.00 0.00 64.34 62.75 2df4 n VAL 235 Cb 0.54 -1.53 0.28 0.00 -1.47 0.00 0.00 33.84 31.66 2df4 n VAL 235 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2df4 n ASN 236 N -2.00 0.79 -3.81 -1.34 3.02 -1.26 -4.61 115.26 106.04 2df4 n ASN 236 Ca -0.00 -0.59 -0.30 0.00 -0.03 0.00 0.00 54.58 53.66 2df4 n ASN 236 Cb 0.07 0.24 -0.15 0.00 -0.61 0.00 0.00 39.78 39.32 2df4 n ASN 236 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2df4 s ASP 237 N -2.77 4.02 0.52 6.41 -1.08 0.22 -4.65 116.67 119.33 2df4 s ASP 237 Ca 0.17 -1.57 0.21 0.00 -0.52 0.00 0.00 52.55 50.84 2df4 s ASP 237 Cb 0.18 -1.02 1.37 0.00 -1.46 0.00 0.00 42.92 42.00 2df4 s ASP 237 CO 0.63 -0.37 2.12 0.28 0.52 0.00 0.00 175.17 178.34 2df4 h SER 238 N 8.00 0.00 1.14 -0.34 0.02 -1.82 -1.91 113.55 118.65 2df4 h SER 238 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2df4 h SER 238 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2df4 h SER 238 CO 0.46 0.08 -0.17 0.35 -1.14 0.00 0.00 176.83 176.40 2df4 n THR 239 N -4.12 0.35 -1.70 -2.27 -2.24 -1.26 -4.86 114.28 98.19 2df4 n THR 239 Ca -0.03 -0.19 -0.44 0.00 -2.27 0.00 0.00 64.05 61.13 2df4 n THR 239 Cb 0.16 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 2df4 n THR 239 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2df4 n SER 240 N -1.97 3.70 -4.74 3.42 3.41 -0.72 -4.61 113.62 112.11 2df4 n SER 240 Ca 0.05 1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 59.31 2df4 n SER 240 Cb 0.40 -1.51 -0.04 0.00 -0.26 0.00 0.00 64.21 62.80 2df4 n SER 240 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2df4 s ALA 241 N 1.51 3.41 -1.55 7.33 0.00 0.25 -4.68 121.76 128.03 2df4 s ALA 241 Ca 0.78 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 53.54 2df4 s ALA 241 Cb -0.56 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 2df4 s ALA 241 CO 0.36 -0.27 2.73 -0.35 0.00 0.00 0.00 175.76 178.22 2df4 n PRO 242 N 2.10 3.69 -3.90 0.00 -0.04 -1.26 -3.59 135.00 131.99 2df4 n PRO 242 Ca 0.02 -2.49 -0.35 0.00 -0.04 0.00 0.00 63.50 60.64 2df4 n PRO 242 Cb 0.45 -2.86 -0.14 0.00 -0.04 0.00 0.00 33.50 30.91 2df4 n PRO 242 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2df4 s VAL 243 N 1.80 3.03 -0.06 0.52 1.01 -1.26 -5.00 120.40 120.44 2df4 s VAL 243 Ca 0.63 -1.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 2df4 s VAL 243 Cb 0.17 -2.72 -0.22 0.00 0.00 0.00 0.00 36.38 33.61 2df4 s VAL 243 CO -0.07 -0.08 1.09 0.44 0.00 0.00 0.00 175.10 176.48 2df4 h ASP 244 N 8.01 -0.00 -0.35 3.32 3.32 -2.03 -3.43 116.42 125.26 2df4 h ASP 244 Ca -0.22 -0.66 -0.20 0.00 0.02 0.00 0.00 57.03 55.97 2df4 h ASP 244 Cb 1.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 2df4 h ASP 244 CO 0.54 0.66 0.93 -0.67 -1.72 0.00 0.00 179.24 178.98 2df4 n ASP 245 N -4.77 0.76 -1.10 6.45 2.03 -1.26 -4.70 116.55 113.95 2df4 n ASP 245 Ca -0.09 -0.99 0.05 0.00 0.52 0.00 0.00 54.79 54.29 2df4 n ASP 245 Cb 0.33 -1.26 0.26 0.00 -0.72 0.00 0.00 41.12 39.73 2df4 n ASP 245 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2df4 n VAL 246 N 7.62 2.43 -3.22 5.18 0.24 -1.26 -4.95 118.33 124.36 2df4 n VAL 246 Ca 0.54 -1.96 -0.40 0.00 -2.04 0.00 0.00 64.34 60.48 2df4 n VAL 246 Cb 0.33 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.35 2df4 n VAL 246 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2df4 s ASP 247 N -1.88 6.53 -0.00 -1.34 2.15 -1.26 -4.57 116.67 116.31 2df4 s ASP 247 Ca 0.45 0.64 0.04 0.00 0.43 0.00 0.00 52.55 54.11 2df4 s ASP 247 Cb 0.37 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.65 2df4 s ASP 247 CO 0.08 -0.23 0.16 0.49 -0.17 0.00 0.00 175.17 175.50 2df4 n PHE 248 N 5.10 0.00 0.07 -5.34 3.72 -1.26 -4.65 117.46 115.10 2df4 n PHE 248 Ca -0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.31 2df4 n PHE 248 Cb 0.50 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.95 2df4 n PHE 248 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2df4 h THR 249 N 0.00 1.43 -0.80 4.37 1.35 -1.90 -3.39 112.91 113.96 2df4 h THR 249 Ca 0.00 -3.06 0.12 0.00 -0.55 0.00 0.00 66.41 62.93 2df4 h THR 249 Cb 0.09 2.70 -0.13 0.00 -1.73 0.00 0.00 68.15 69.07 2df4 h THR 249 CO 0.00 0.81 -0.40 0.77 -0.25 0.00 0.00 175.52 176.45 2df4 h SER 250 N 0.00 -1.43 -0.22 5.36 4.64 -1.97 -1.19 113.55 118.75 2df4 h SER 250 Ca -0.03 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2df4 h SER 250 Cb 1.69 0.71 0.00 0.00 -0.31 0.00 0.00 62.40 64.49 2df4 h SER 250 CO 0.11 -0.30 0.00 -0.62 -0.87 0.00 0.00 176.83 175.15 2df4 n GLU 251 N -5.43 1.87 -2.92 4.77 1.02 -1.26 -4.87 120.64 113.82 2df4 n GLU 251 Ca 0.06 -0.93 -0.40 0.00 -0.02 0.00 0.00 57.16 55.87 2df4 n GLU 251 Cb 0.37 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 2df4 n GLU 251 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2df4 s ILE 252 N -1.63 4.48 0.00 -3.67 1.01 -0.45 -3.53 121.20 117.41 2df4 s ILE 252 Ca 0.17 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.59 2df4 s ILE 252 Cb 0.11 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2df4 s ILE 252 CO 0.08 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2df4 n GLY 253 N 1.96 0.43 3.84 6.18 0.00 -1.26 -5.06 105.19 111.27 2df4 n GLY 253 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2df4 n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2df4 s LYS 254 N -0.97 4.04 0.97 1.61 1.02 -1.23 -5.06 119.74 120.13 2df4 s LYS 254 Ca 0.00 0.63 -0.11 0.00 0.02 0.00 0.00 55.97 56.50 2df4 s LYS 254 Cb 0.00 -2.73 0.17 0.00 -0.52 0.00 0.00 37.83 34.76 2df4 s LYS 254 CO 0.00 0.34 1.09 0.16 -0.92 0.00 0.00 175.35 176.01 2df4 s ASP 255 N -1.95 2.66 -0.16 2.83 1.47 -1.26 -4.87 116.67 115.39 2df4 s ASP 255 Ca 0.46 1.70 0.16 0.00 1.18 0.00 0.00 52.55 56.04 2df4 s ASP 255 Cb -0.14 -2.33 0.34 0.00 -0.34 0.00 0.00 42.92 40.45 2df4 s ASP 255 CO 0.19 -3.18 1.18 2.30 0.68 0.00 0.00 175.17 176.34 2df4 n ILE 256 N -4.26 1.99 -2.18 2.11 -5.35 -1.26 -5.02 119.36 105.40 2df4 n ILE 256 Ca 0.07 -2.65 -0.42 0.00 -0.27 0.00 0.00 62.75 59.48 2df4 n ILE 256 Cb 0.54 -0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.19 2df4 n ILE 256 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2df4 s LYS 257 N -2.99 4.27 0.00 6.28 -2.85 -1.26 -1.55 119.74 121.65 2df4 s LYS 257 Ca 0.34 2.01 0.00 0.00 -1.00 0.00 0.00 55.97 57.33 2df4 s LYS 257 Cb 0.32 -3.57 0.00 0.00 -2.06 0.00 0.00 37.83 32.51 2df4 s LYS 257 CO -0.01 -0.60 0.00 0.41 0.10 0.00 0.00 175.35 175.25 2df4 n GLY 258 N 3.69 0.29 3.70 0.59 0.00 -1.21 -4.88 105.19 107.36 2df4 n GLY 258 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2df4 n GLY 258 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2df4 s LEU 259 N 0.00 4.37 -0.47 0.99 2.96 -0.60 -4.71 118.68 121.22 2df4 s LEU 259 Ca 0.00 2.51 -0.23 0.00 -0.22 0.00 0.00 54.13 56.19 2df4 s LEU 259 Cb 0.00 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.15 2df4 s LEU 259 CO 0.00 -0.86 0.78 -0.54 -1.32 0.00 0.00 176.35 174.42 2df4 s LYS 260 N 2.15 3.36 -0.26 1.98 1.02 -1.26 0.43 119.74 127.15 2df4 s LYS 260 Ca 0.72 -0.21 -0.06 0.00 0.02 0.00 0.00 55.97 56.44 2df4 s LYS 260 Cb -0.41 -3.97 -0.00 0.00 -0.52 0.00 0.00 37.83 32.93 2df4 s LYS 260 CO 0.32 -1.17 0.03 0.08 -0.92 0.00 0.00 175.35 173.69 2df4 s VAL 261 N 3.29 3.78 -0.20 3.17 1.01 0.13 -1.17 120.40 130.41 2df4 s VAL 261 Ca 0.28 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 2df4 s VAL 261 Cb -0.13 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 2df4 s VAL 261 CO 0.21 0.24 0.62 0.00 0.00 0.00 0.00 175.10 176.17 2df4 s ALA 262 N 1.50 3.55 -0.60 5.51 0.00 0.25 -2.18 121.76 129.80 2df4 s ALA 262 Ca 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 2df4 s ALA 262 Cb -0.16 -2.96 0.15 0.00 0.00 0.00 0.00 23.12 20.16 2df4 s ALA 262 CO 0.00 -0.57 0.48 -1.17 0.00 0.00 0.00 175.76 174.51 2df4 s LEU 263 N 1.94 5.90 0.04 0.00 0.20 -0.72 -0.89 118.68 125.15 2df4 s LEU 263 Ca 0.28 -2.31 -0.32 0.00 0.69 0.00 0.00 54.13 52.46 2df4 s LEU 263 Cb -0.16 -2.04 -0.11 0.00 -0.43 0.00 0.00 46.19 43.45 2df4 s LEU 263 CO 0.10 -0.60 1.85 -2.65 -0.29 0.00 0.00 176.35 174.76 2df4 n PRO 264 N 4.38 2.52 0.02 0.98 -0.02 -1.25 -2.29 135.00 139.34 2df4 n PRO 264 Ca 0.01 0.92 0.02 0.00 -2.02 0.00 0.00 63.50 62.43 2df4 n PRO 264 Cb 0.41 -2.80 0.37 0.00 -0.02 0.00 0.00 33.50 31.47 2df4 n PRO 264 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2df4 h LYS 265 N 8.87 0.48 0.00 -0.52 2.10 -1.49 -1.41 116.57 124.60 2df4 h LYS 265 Ca -0.48 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 2df4 h LYS 265 Cb 1.25 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2df4 h LYS 265 CO 0.94 0.44 0.00 0.39 -2.00 0.00 0.00 179.45 179.21 2df4 n GLU 266 N -4.37 0.10 0.08 0.07 4.71 -1.26 -1.88 120.64 118.09 2df4 n GLU 266 Ca 0.02 0.39 0.13 0.00 -0.01 0.00 0.00 57.16 57.69 2df4 n GLU 266 Cb 0.16 -1.71 0.35 0.00 -1.01 0.00 0.00 31.44 29.24 2df4 n GLU 266 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2df4 n TYR 267 N -1.91 0.73 -1.60 -0.32 4.02 -0.53 -2.94 117.16 114.62 2df4 n TYR 267 Ca 0.02 0.21 -0.04 0.00 -0.01 0.00 0.00 57.90 58.08 2df4 n TYR 267 Cb 0.17 -0.81 0.17 0.00 -0.02 0.00 0.00 39.34 38.85 2df4 n TYR 267 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2df4 n LEU 268 N -2.14 3.83 0.00 7.72 4.32 -0.79 -4.53 117.00 125.41 2df4 n LEU 268 Ca 0.05 -4.00 0.00 0.00 -0.02 0.00 0.00 56.01 52.04 2df4 n LEU 268 Cb 0.42 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.66 2df4 n LEU 268 CO 0.32 1.46 0.00 0.61 -1.22 0.00 0.00 177.39 178.56 2df4 n GLY 269 N -1.06 -2.10 0.10 -0.72 0.00 -1.15 -4.88 105.19 95.37 2df4 n GLY 269 Ca 0.31 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 2df4 n GLY 269 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2df4 h GLU 270 N 0.00 0.00 0.00 1.61 4.81 -1.94 -3.32 114.58 115.74 2df4 h GLU 270 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2df4 h GLU 270 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2df4 h GLU 270 CO 0.00 0.39 0.00 0.41 -0.73 0.00 0.00 179.01 179.08 2df4 n GLY 271 N 1.38 -1.07 3.79 1.92 0.00 -1.26 -4.79 105.19 105.16 2df4 n GLY 271 Ca -0.08 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 2df4 n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2df4 s VAL 272 N -2.56 4.94 0.83 1.61 1.01 -1.25 -4.76 120.40 120.23 2df4 s VAL 272 Ca 0.23 1.05 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 2df4 s VAL 272 Cb 0.16 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2df4 s VAL 272 CO 0.36 0.50 1.10 0.00 0.00 0.00 0.00 175.10 177.06 2df4 s ALA 273 N -0.62 1.92 0.01 5.51 0.00 0.37 -4.89 121.76 124.07 2df4 s ALA 273 Ca 0.27 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 2df4 s ALA 273 Cb -0.18 -3.27 -0.17 0.00 0.00 0.00 0.00 23.12 19.50 2df4 s ALA 273 CO 0.15 -2.08 1.34 -0.44 0.00 0.00 0.00 175.76 174.73 2df4 h ASP 274 N -1.36 0.18 -0.63 0.00 3.32 -1.98 -1.82 116.42 114.13 2df4 h ASP 274 Ca -0.45 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.07 2df4 h ASP 274 Cb 1.25 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2df4 h ASP 274 CO 0.51 0.59 0.11 -2.24 -1.72 0.00 0.00 179.24 176.49 2df4 h ASP 275 N -0.23 0.99 -0.22 6.45 2.03 -1.95 -0.67 116.42 122.81 2df4 h ASP 275 Ca 0.01 -0.26 -0.00 0.00 -0.73 0.00 0.00 57.03 56.05 2df4 h ASP 275 Cb 0.53 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.76 2df4 h ASP 275 CO 0.01 1.00 0.12 0.58 -1.03 0.00 0.00 179.24 179.93 2df4 h VAL 276 N 0.95 1.11 -0.51 4.15 2.07 -1.84 -1.30 116.25 120.87 2df4 h VAL 276 Ca 0.19 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2df4 h VAL 276 Cb 0.42 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 2df4 h VAL 276 CO 0.01 0.11 0.25 0.50 0.02 0.00 0.00 177.57 178.45 2df4 h LYS 277 N 0.26 0.47 0.47 1.57 3.64 -1.07 -2.04 116.57 119.87 2df4 h LYS 277 Ca 0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2df4 h LYS 277 Cb 0.06 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2df4 h LYS 277 CO -0.01 0.31 -0.25 1.49 -2.27 0.00 0.00 179.45 178.72 2df4 h GLU 278 N 0.48 -0.65 -0.63 1.90 4.81 -0.87 -1.17 114.58 118.46 2df4 h GLU 278 Ca 0.23 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.62 2df4 h GLU 278 Cb 0.16 0.15 -0.12 0.00 0.63 0.00 0.00 28.75 29.57 2df4 h GLU 278 CO -0.18 -0.43 -0.32 0.00 -0.73 0.00 0.00 179.01 177.35 2df4 h ALA 279 N -0.15 0.02 -0.07 2.92 0.00 -0.94 0.13 119.26 121.16 2df4 h ALA 279 Ca -0.06 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2df4 h ALA 279 Cb 0.53 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2df4 h ALA 279 CO 0.09 -0.65 -0.20 0.28 0.00 0.00 0.00 179.25 178.78 2df4 h VAL 280 N -0.14 1.18 -0.39 0.00 2.07 -1.24 -0.39 116.25 117.35 2df4 h VAL 280 Ca 0.25 -0.83 -0.16 0.00 0.82 0.00 0.00 66.70 66.78 2df4 h VAL 280 Cb 0.55 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2df4 h VAL 280 CO -0.70 0.25 -0.37 1.56 0.02 0.00 0.00 177.57 178.33 2df4 h GLN 281 N 0.11 0.94 0.00 1.57 4.20 0.46 0.30 115.11 122.69 2df4 h GLN 281 Ca 0.02 -0.49 -0.08 0.00 0.06 0.00 0.00 58.65 58.16 2df4 h GLN 281 Cb 0.42 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2df4 h GLN 281 CO 0.03 1.15 -0.37 -0.91 -0.67 0.00 0.00 178.83 178.05 2df4 h ASN 282 N 0.76 0.00 0.06 1.46 2.35 -0.68 -1.39 115.58 118.14 2df4 h ASN 282 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2df4 h ASN 282 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2df4 h ASN 282 CO 0.09 0.37 -0.03 0.00 -1.65 0.00 0.00 177.43 176.22 2df4 h ALA 283 N 1.63 -0.07 -0.81 -0.83 0.00 -0.29 -0.45 119.26 118.43 2df4 h ALA 283 Ca -0.00 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.94 2df4 h ALA 283 Cb 0.71 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 2df4 h ALA 283 CO 0.05 -0.42 0.36 0.28 0.00 0.00 0.00 179.25 179.51 2df4 h VAL 284 N -0.31 0.64 -0.19 0.00 2.07 0.20 0.24 116.25 118.90 2df4 h VAL 284 Ca -0.01 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2df4 h VAL 284 Cb 0.28 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2df4 h VAL 284 CO 0.01 0.09 0.12 -0.33 0.02 0.00 0.00 177.57 177.48 2df4 h GLU 285 N 0.49 0.26 -0.80 1.57 4.39 -0.90 -1.74 114.58 117.85 2df4 h GLU 285 Ca 0.46 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.19 2df4 h GLU 285 Cb 0.71 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 2df4 h GLU 285 CO -0.42 0.20 0.49 1.15 -1.16 0.00 0.00 179.01 179.27 2df4 h THR 286 N 0.24 1.02 0.00 1.13 2.02 0.87 0.11 112.91 118.30 2df4 h THR 286 Ca 0.07 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 2df4 h THR 286 Cb 0.01 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.47 2df4 h THR 286 CO -0.01 0.16 -0.12 -0.07 0.37 0.00 0.00 175.52 175.85 2df4 h LEU 287 N 0.89 0.00 0.01 2.58 -0.00 -0.22 -1.82 115.31 116.75 2df4 h LEU 287 Ca 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.18 2df4 h LEU 287 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2df4 h LEU 287 CO -0.17 0.12 -0.20 0.11 -0.00 0.00 0.00 178.44 178.30 2df4 h LYS 288 N 0.00 0.12 -0.08 1.13 1.57 -0.02 -2.29 116.57 117.01 2df4 h LYS 288 Ca -0.00 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2df4 h LYS 288 Cb 0.25 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2df4 h LYS 288 CO 0.02 0.92 0.13 0.66 -0.57 0.00 0.00 179.45 180.61 2df4 h SER 289 N -0.61 0.00 0.64 0.86 4.64 -0.54 0.54 113.55 119.07 2df4 h SER 289 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2df4 h SER 289 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2df4 h SER 289 CO 0.04 0.00 -0.20 0.18 -0.87 0.00 0.00 176.83 175.98 2df4 n LEU 290 N -3.50 0.31 0.00 5.97 4.77 -0.72 -4.94 117.00 118.89 2df4 n LEU 290 Ca -0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2df4 n LEU 290 Cb 0.23 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2df4 n LEU 290 CO 0.24 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2df4 n GLY 291 N 1.43 1.69 3.47 -0.72 0.00 0.19 -4.07 105.19 107.18 2df4 n GLY 291 Ca 0.09 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2df4 n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2df4 n ALA 292 N 0.00 -1.16 -2.96 4.61 0.00 -0.87 -3.34 120.51 116.81 2df4 n ALA 292 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.02 2df4 n ALA 292 Cb 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 19.45 17.51 2df4 n ALA 292 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2df4 s VAL 293 N -1.72 4.33 -0.21 0.00 1.01 0.17 -4.28 120.40 119.70 2df4 s VAL 293 Ca 0.69 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2df4 s VAL 293 Cb -0.45 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2df4 s VAL 293 CO 0.54 -0.16 -0.03 -0.69 0.00 0.00 0.00 175.10 174.77 2df4 s VAL 294 N 1.52 3.60 0.04 2.92 1.01 -1.26 0.21 120.40 128.45 2df4 s VAL 294 Ca 0.01 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.61 2df4 s VAL 294 Cb -0.19 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 2df4 s VAL 294 CO 0.05 0.42 -0.12 -1.61 0.00 0.00 0.00 175.10 173.85 2df4 s GLU 295 N 1.28 0.76 0.50 2.72 2.02 -0.92 -4.98 118.70 120.07 2df4 s GLU 295 Ca 0.04 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.09 2df4 s GLU 295 Cb -0.14 -0.71 -0.06 0.00 0.10 0.00 0.00 34.13 33.31 2df4 s GLU 295 CO -0.01 0.17 1.18 -2.00 0.02 0.00 0.00 175.26 174.63 2df4 s GLU 296 N -1.22 3.55 0.28 1.61 2.12 -1.26 -1.75 118.70 122.03 2df4 s GLU 296 Ca -0.02 1.80 -0.07 0.00 0.36 0.00 0.00 54.97 57.04 2df4 s GLU 296 Cb -0.08 -2.28 -0.01 0.00 0.26 0.00 0.00 34.13 32.03 2df4 s GLU 296 CO 0.01 -0.73 0.41 0.14 -0.54 0.00 0.00 175.26 174.55 2df4 s VAL 297 N -1.56 0.00 -0.06 3.70 -7.23 -0.97 -4.82 120.40 109.45 2df4 s VAL 297 Ca 0.67 -1.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2df4 s VAL 297 Cb -0.29 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 2df4 s VAL 297 CO 0.34 0.00 -0.22 -0.55 -0.31 0.00 0.00 175.10 174.36 2df4 s SER 298 N -3.13 2.79 -0.64 4.85 0.15 -1.26 -1.08 113.70 115.39 2df4 s SER 298 Ca 0.28 -0.47 0.06 0.00 0.70 0.00 0.00 55.95 56.52 2df4 s SER 298 Cb 0.01 -0.90 0.24 0.00 -1.71 0.00 0.00 66.02 63.66 2df4 s SER 298 CO 0.14 0.19 0.72 0.18 1.20 0.00 0.00 173.24 175.68 2df4 n LEU 299 N 3.16 3.61 -0.33 3.45 4.32 -1.26 -4.93 117.00 125.02 2df4 n LEU 299 Ca -0.18 -5.41 0.01 0.00 -0.02 0.00 0.00 56.01 50.41 2df4 n LEU 299 Cb 0.52 -0.64 0.08 0.00 -1.62 0.00 0.00 43.42 41.76 2df4 n LEU 299 CO 0.26 2.04 0.64 1.55 -1.22 0.00 0.00 177.39 180.65 2df4 h PRO 300 N 4.26 -0.02 0.00 3.23 0.13 -1.96 -1.26 132.00 136.37 2df4 h PRO 300 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2df4 h PRO 300 Cb 0.67 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2df4 h PRO 300 CO 0.82 -0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 2df4 n ASN 301 N -5.52 0.00 -0.22 1.44 3.02 -1.26 -3.93 115.26 108.79 2df4 n ASN 301 Ca 0.11 -0.94 0.02 0.00 -0.03 0.00 0.00 54.58 53.74 2df4 n ASN 301 Cb 0.42 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.73 2df4 n ASN 301 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2df4 h THR 302 N 0.00 0.72 -0.39 3.41 2.02 -1.62 -0.88 112.91 116.17 2df4 h THR 302 Ca 0.00 -0.14 0.11 0.00 0.77 0.00 0.00 66.41 67.15 2df4 h THR 302 Cb 0.00 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 2df4 h THR 302 CO 0.00 0.07 0.48 0.07 0.37 0.00 0.00 175.52 176.51 2df4 h LYS 303 N 0.41 0.00 -0.31 6.66 2.10 -1.83 0.28 116.57 123.88 2df4 h LYS 303 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2df4 h LYS 303 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2df4 h LYS 303 CO -0.35 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.29 2df4 n PHE 304 N -3.57 0.41 0.06 0.07 3.72 -0.34 -4.50 117.46 113.31 2df4 n PHE 304 Ca 0.07 -0.21 -0.03 0.00 -0.05 0.00 0.00 57.45 57.24 2df4 n PHE 304 Cb 0.64 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.17 2df4 n PHE 304 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2df4 h GLY 305 N 5.00 -0.44 0.09 1.37 0.00 -0.52 -2.80 103.07 105.77 2df4 h GLY 305 Ca 0.00 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.61 2df4 h GLY 305 CO 0.00 -0.16 -0.11 -2.22 0.00 0.00 0.00 176.54 174.05 2df4 h ILE 306 N -0.16 0.55 0.68 2.60 2.04 -1.80 0.32 117.51 121.73 2df4 h ILE 306 Ca -0.01 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2df4 h ILE 306 Cb 0.13 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2df4 h ILE 306 CO 0.01 0.00 -0.45 1.55 0.00 0.00 0.00 178.15 179.26 2df4 h PRO 307 N 0.00 -1.03 -0.92 2.37 0.13 -1.84 -1.45 132.00 129.27 2df4 h PRO 307 Ca 0.22 0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.48 2df4 h PRO 307 Cb 0.33 0.23 -0.06 0.00 0.13 0.00 0.00 31.00 31.63 2df4 h PRO 307 CO -0.47 -0.69 0.58 0.66 -0.23 0.00 0.00 178.00 177.86 2df4 h SER 308 N -1.07 0.91 0.19 1.44 4.64 -1.44 -2.50 113.55 115.73 2df4 h SER 308 Ca -0.09 0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2df4 h SER 308 Cb 0.87 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 2df4 h SER 308 CO 0.07 0.58 -0.48 0.22 -0.87 0.00 0.00 176.83 176.35 2df4 h TYR 309 N 1.05 -1.37 -0.27 4.77 3.20 -0.73 -1.50 116.97 122.11 2df4 h TYR 309 Ca 0.40 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.36 2df4 h TYR 309 Cb 0.19 0.58 -0.06 0.00 1.54 0.00 0.00 36.73 38.97 2df4 h TYR 309 CO -0.02 -0.58 -0.11 1.88 -1.64 0.00 0.00 178.16 177.69 2df4 h TYR 310 N -0.76 -0.25 -0.12 -3.82 -1.99 -0.90 0.27 116.97 109.39 2df4 h TYR 310 Ca -0.00 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.80 2df4 h TYR 310 Cb 0.75 0.16 -0.06 0.00 2.00 0.00 0.00 36.73 39.57 2df4 h TYR 310 CO -0.39 -0.17 -0.33 0.28 -0.00 0.00 0.00 178.16 177.55 2df4 h VAL 311 N -0.06 0.27 0.68 -2.88 2.07 -1.25 0.51 116.25 115.59 2df4 h VAL 311 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 2df4 h VAL 311 Cb 0.27 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2df4 h VAL 311 CO -0.32 0.00 -0.42 0.40 0.02 0.00 0.00 177.57 177.25 2df4 h ILE 312 N -0.41 0.00 -0.30 4.57 2.04 -0.86 0.56 117.51 123.12 2df4 h ILE 312 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 2df4 h ILE 312 Cb 0.56 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 2df4 h ILE 312 CO -0.35 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.53 2df4 h ALA 313 N -1.28 -0.14 -0.17 1.87 0.00 -0.29 -0.83 119.26 118.41 2df4 h ALA 313 Ca -0.09 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2df4 h ALA 313 Cb 0.83 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 2df4 h ALA 313 CO 0.09 -0.68 -0.09 0.77 0.00 0.00 0.00 179.25 179.33 2df4 h SER 314 N -0.25 -0.31 -0.01 0.00 0.02 0.05 0.32 113.55 113.37 2df4 h SER 314 Ca 0.15 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2df4 h SER 314 Cb 0.49 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 2df4 h SER 314 CO -0.44 -0.13 -0.24 0.28 -1.14 0.00 0.00 176.83 175.17 2df4 h SER 315 N -0.08 -0.74 -0.95 3.07 0.02 -0.16 0.60 113.55 115.31 2df4 h SER 315 Ca 0.10 0.08 0.19 0.00 -0.84 0.00 0.00 61.79 61.33 2df4 h SER 315 Cb 0.23 0.28 -0.11 0.00 0.14 0.00 0.00 62.40 62.94 2df4 h SER 315 CO -0.23 -0.23 0.53 -0.33 -1.14 0.00 0.00 176.83 175.44 2df4 h GLU 316 N -0.30 0.63 -0.67 3.45 5.08 -0.97 0.57 114.58 122.37 2df4 h GLU 316 Ca 0.01 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2df4 h GLU 316 Cb 0.32 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2df4 h GLU 316 CO -0.16 0.41 0.44 0.00 -1.00 0.00 0.00 179.01 178.70 2df4 h ALA 317 N 1.65 1.61 0.00 3.43 0.00 0.14 0.39 119.26 126.48 2df4 h ALA 317 Ca 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2df4 h ALA 317 Cb 0.92 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2df4 h ALA 317 CO -0.42 0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 2df4 n SER 318 N -4.46 0.00 0.00 0.00 3.41 0.20 -2.11 113.62 110.67 2df4 n SER 318 Ca 0.08 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 2df4 n SER 318 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2df4 n SER 318 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2df4 n SER 319 N -0.81 2.70 0.21 4.04 2.88 0.10 -4.57 113.62 118.17 2df4 n SER 319 Ca 0.08 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.71 2df4 n SER 319 Cb 0.04 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 63.93 2df4 n SER 319 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2df4 h ASN 320 N 0.00 0.00 0.74 -3.46 2.35 -0.43 -3.06 115.58 111.72 2df4 h ASN 320 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2df4 h ASN 320 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 2df4 h ASN 320 CO 0.00 0.27 -0.94 0.18 -1.65 0.00 0.00 177.43 175.29 2df4 n LEU 321 N -3.46 0.69 0.24 1.61 4.32 -0.89 -4.14 117.00 115.36 2df4 n LEU 321 Ca -0.00 0.18 0.14 0.00 -0.02 0.00 0.00 56.01 56.31 2df4 n LEU 321 Cb 0.44 -0.11 0.76 0.00 -1.62 0.00 0.00 43.42 42.89 2df4 n LEU 321 CO 0.34 -0.07 0.97 0.28 -1.22 0.00 0.00 177.39 177.69 2df4 h SER 322 N 0.00 0.00 0.79 -1.43 0.02 -1.75 0.25 113.55 111.42 2df4 h SER 322 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2df4 h SER 322 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2df4 h SER 322 CO 0.00 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 173.58 2df4 n ARG 323 N -2.55 0.01 -2.79 3.45 1.85 -1.26 -4.51 116.66 110.86 2df4 n ARG 323 Ca -0.02 0.13 -0.43 0.00 -1.00 0.00 0.00 57.85 56.53 2df4 n ARG 323 Cb 0.16 -1.52 -0.04 0.00 -1.05 0.00 0.00 32.46 30.01 2df4 n ARG 323 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2df4 s PHE 324 N -3.01 2.59 0.00 2.89 0.08 0.07 -4.70 117.98 115.90 2df4 s PHE 324 Ca 0.11 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.71 2df4 s PHE 324 Cb 0.14 -4.37 0.00 0.00 -0.57 0.00 0.00 43.02 38.23 2df4 s PHE 324 CO 0.41 -1.74 0.19 -0.40 -0.10 0.00 0.00 175.22 173.57 2df4 n ASP 325 N 8.07 0.37 -0.77 1.36 5.68 -1.26 -4.68 116.55 125.33 2df4 n ASP 325 Ca -0.02 -0.81 -0.09 0.00 -0.50 0.00 0.00 54.79 53.37 2df4 n ASP 325 Cb 0.46 0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.54 2df4 n ASP 325 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2df4 n GLY 326 N 0.13 0.78 0.09 6.12 0.00 -1.23 -4.66 105.19 106.41 2df4 n GLY 326 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 2df4 n GLY 326 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2df4 n ILE 327 N -3.08 1.48 0.66 -0.61 5.41 -1.26 -4.55 119.36 117.41 2df4 n ILE 327 Ca -0.09 0.05 0.11 0.00 1.00 0.00 0.00 62.75 63.81 2df4 n ILE 327 Cb 0.37 -2.21 -0.03 0.00 -0.71 0.00 0.00 39.64 37.06 2df4 n ILE 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2df4 n ARG 328 N -4.49 0.22 -3.67 0.38 1.74 -1.26 -5.02 116.66 104.57 2df4 n ARG 328 Ca -0.23 -0.03 0.02 0.00 -0.77 0.00 0.00 57.85 56.85 2df4 n ARG 328 Cb 0.52 -1.55 -0.00 0.00 -1.02 0.00 0.00 32.46 30.41 2df4 n ARG 328 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 2df4 s TYR 329 N -3.16 -0.02 0.01 -1.55 -0.85 -1.26 -5.18 117.35 105.33 2df4 s TYR 329 Ca 0.04 -0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 2df4 s TYR 329 Cb 0.15 0.54 0.00 0.00 0.38 0.00 0.00 41.96 43.03 2df4 s TYR 329 CO 0.83 -0.21 0.00 0.41 -1.52 0.00 0.00 175.55 175.06 2df4 n GLY 330 N -0.57 -2.06 3.67 5.49 0.00 -1.26 -3.58 105.19 106.88 2df4 n GLY 330 Ca -0.07 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2df4 n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2df4 s TYR 331 N -0.23 1.54 -0.40 1.61 5.04 0.22 -4.77 117.35 120.36 2df4 s TYR 331 Ca 0.00 -0.30 -0.02 0.00 -2.44 0.00 0.00 57.07 54.31 2df4 s TYR 331 Cb 0.00 -4.20 0.11 0.00 0.35 0.00 0.00 41.96 38.22 2df4 s TYR 331 CO 0.00 -5.26 0.18 -1.58 -1.34 0.00 0.00 175.55 167.55 2df4 s HIS 332 N 4.03 3.62 0.21 4.97 5.65 -1.26 -3.88 115.29 128.62 2df4 s HIS 332 Ca 0.85 -2.53 -0.32 0.00 0.25 0.00 0.00 55.06 53.32 2df4 s HIS 332 Cb -0.43 -3.18 -0.15 0.00 -1.18 0.00 0.00 32.58 27.65 2df4 s HIS 332 CO 0.39 -0.97 1.17 0.45 -0.65 0.00 0.00 174.74 175.13 2df4 n SER 333 N 4.51 1.55 -0.03 9.88 2.88 -1.26 -4.90 113.62 126.25 2df4 n SER 333 Ca -0.01 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.58 2df4 n SER 333 Cb 0.41 -1.26 -0.14 0.00 -0.75 0.00 0.00 64.21 62.47 2df4 n SER 333 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2df4 n LYS 334 N 1.58 0.65 0.00 -1.46 4.81 -1.26 -4.16 118.16 118.33 2df4 n LYS 334 Ca 0.13 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 2df4 n LYS 334 Cb 0.27 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.56 2df4 n LYS 334 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2df4 n GLU 335 N -3.06 0.86 -3.51 1.64 4.71 -1.26 -4.80 120.64 115.22 2df4 n GLU 335 Ca -0.20 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.58 2df4 n GLU 335 Cb 1.06 -1.25 -0.07 0.00 -1.01 0.00 0.00 31.44 30.18 2df4 n GLU 335 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2df4 s ALA 336 N -1.42 3.62 0.00 0.62 0.00 -1.26 -4.94 121.76 118.38 2df4 s ALA 336 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2df4 s ALA 336 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2df4 s ALA 336 CO 0.00 0.21 0.00 0.72 0.00 0.00 0.00 175.76 176.69 2df4 n HIS 337 N 3.06 0.00 -4.63 0.00 8.25 -1.26 -4.90 115.22 115.74 2df4 n HIS 337 Ca -0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 2df4 n HIS 337 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.55 2df4 n HIS 337 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2df4 s SER 338 N -1.51 4.10 0.11 0.41 1.04 -1.26 -5.05 113.70 111.54 2df4 s SER 338 Ca 0.00 -1.51 -0.01 0.00 0.48 0.00 0.00 55.95 54.91 2df4 s SER 338 Cb 0.00 0.17 -0.18 0.00 0.10 0.00 0.00 66.02 66.11 2df4 s SER 338 CO 0.00 -0.72 1.25 0.25 0.98 0.00 0.00 173.24 174.99 2df4 h LEU 339 N 1.45 0.32 -0.36 2.42 7.12 -2.00 -2.68 115.31 121.58 2df4 h LEU 339 Ca -0.44 -0.31 -0.06 0.00 0.13 0.00 0.00 57.88 57.20 2df4 h LEU 339 Cb 1.29 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 2df4 h LEU 339 CO 0.75 1.19 -0.02 -0.08 -0.13 0.00 0.00 178.44 180.15 2df4 h GLU 340 N 0.09 0.65 0.25 1.25 4.81 -2.00 -3.07 114.58 116.56 2df4 h GLU 340 Ca -0.08 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2df4 h GLU 340 Cb 1.77 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.10 2df4 h GLU 340 CO 0.17 0.78 -0.12 0.93 -0.73 0.00 0.00 179.01 180.03 2df4 h GLU 341 N 0.46 -0.32 -0.90 1.92 5.08 -1.97 -0.70 114.58 118.15 2df4 h GLU 341 Ca 0.10 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.72 2df4 h GLU 341 Cb 0.50 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.66 2df4 h GLU 341 CO 0.02 -0.22 0.09 1.25 -1.00 0.00 0.00 179.01 179.16 2df4 h LEU 342 N -0.34 -0.30 0.42 1.33 5.85 -1.43 1.63 115.31 122.48 2df4 h LEU 342 Ca -0.03 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 2df4 h LEU 342 Cb 0.26 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2df4 h LEU 342 CO 0.06 -0.26 -0.20 1.88 -0.34 0.00 0.00 178.44 179.58 2df4 h TYR 343 N 0.09 -0.52 0.00 1.25 0.05 -1.40 -1.74 116.97 114.69 2df4 h TYR 343 Ca 0.55 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.31 2df4 h TYR 343 Cb 1.10 0.17 -0.00 0.00 1.01 0.00 0.00 36.73 39.01 2df4 h TYR 343 CO -0.40 -0.24 -0.02 0.87 -1.05 0.00 0.00 178.16 177.32 2df4 h LYS 344 N -1.07 0.00 0.06 4.88 1.57 0.16 -1.71 116.57 120.46 2df4 h LYS 344 Ca -0.06 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.35 2df4 h LYS 344 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2df4 h LYS 344 CO 0.09 0.02 -2.23 -1.33 -0.57 0.00 0.00 179.45 175.44 2df4 n MET 345 N -3.18 0.70 0.07 3.15 2.81 0.54 -3.16 117.12 118.05 2df4 n MET 345 Ca -0.01 0.22 -0.13 0.00 -1.81 0.00 0.00 57.70 55.96 2df4 n MET 345 Cb 0.18 -1.61 -0.08 0.00 -0.71 0.00 0.00 33.22 31.00 2df4 n MET 345 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2df4 h SER 346 N -0.01 -0.11 -0.02 7.83 0.02 -1.27 -1.86 113.55 118.13 2df4 h SER 346 Ca -0.50 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.30 2df4 h SER 346 Cb 1.95 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.50 2df4 h SER 346 CO -0.01 0.09 -0.07 0.03 -1.14 0.00 0.00 176.83 175.73 2df4 h ARG 347 N -0.32 -0.11 0.08 3.45 3.08 -1.51 0.14 114.38 119.20 2df4 h ARG 347 Ca -0.01 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2df4 h ARG 347 Cb 0.26 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2df4 h ARG 347 CO 0.02 -0.07 -0.04 0.77 -1.07 0.00 0.00 179.97 179.58 2df4 h SER 348 N -0.12 -0.09 0.22 7.04 0.02 -1.57 -1.66 113.55 117.39 2df4 h SER 348 Ca 0.03 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 2df4 h SER 348 Cb 0.16 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2df4 h SER 348 CO -0.09 0.09 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.18 2df4 h GLU 349 N -0.28 0.00 0.16 3.45 5.08 -1.31 -3.20 114.58 118.48 2df4 h GLU 349 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 2df4 h GLU 349 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2df4 h GLU 349 CO 0.02 0.19 -1.53 0.78 -1.00 0.00 0.00 179.01 177.47 2df4 h GLY 350 N 0.63 0.38 -2.55 -3.84 0.00 -0.83 -3.46 103.07 93.39 2df4 h GLY 350 Ca -0.00 -0.96 -0.49 0.00 0.00 0.00 0.00 47.33 45.87 2df4 h GLY 350 CO 0.02 0.84 0.12 -1.36 0.00 0.00 0.00 176.54 176.17 2df4 s PHE 351 N -2.61 3.44 0.51 5.60 0.08 -0.63 -2.34 117.98 122.02 2df4 s PHE 351 Ca -0.10 1.11 0.03 0.00 0.12 0.00 0.00 56.93 58.09 2df4 s PHE 351 Cb 0.06 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.05 2df4 s PHE 351 CO 0.87 -0.06 0.71 0.20 -0.10 0.00 0.00 175.22 176.84 2df4 s GLY 352 N -2.90 1.83 0.20 4.36 0.00 -1.26 -4.89 107.32 104.66 2df4 s GLY 352 Ca 0.52 -1.39 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 2df4 s GLY 352 CO 0.27 -1.14 1.58 0.50 0.00 0.00 0.00 173.10 174.31 2df4 h LYS 353 N 0.25 -0.10 -0.43 2.90 1.57 -1.97 -1.86 116.57 116.94 2df4 h LYS 353 Ca -0.42 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 2df4 h LYS 353 Cb 1.29 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2df4 h LYS 353 CO 0.51 -0.06 0.24 1.49 -0.57 0.00 0.00 179.45 181.06 2df4 h GLU 354 N -0.10 0.59 -0.67 3.15 4.57 -1.96 -1.29 114.58 118.88 2df4 h GLU 354 Ca 0.28 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 2df4 h GLU 354 Cb 0.57 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 2df4 h GLU 354 CO -0.78 0.46 0.44 0.28 -1.18 0.00 0.00 179.01 178.23 2df4 h VAL 355 N 0.56 1.16 0.00 0.32 2.07 -1.76 -1.29 116.25 117.32 2df4 h VAL 355 Ca 0.15 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2df4 h VAL 355 Cb 0.04 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2df4 h VAL 355 CO -0.03 0.16 -0.25 0.11 0.02 0.00 0.00 177.57 177.59 2df4 h LYS 356 N 0.90 0.00 -0.29 1.57 1.57 -1.10 -1.81 116.57 117.40 2df4 h LYS 356 Ca 0.25 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 2df4 h LYS 356 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2df4 h LYS 356 CO -0.06 0.25 -0.14 0.00 -0.57 0.00 0.00 179.45 178.93 2df4 h ARG 357 N 0.00 0.60 0.03 3.15 3.08 -0.12 -0.33 114.38 120.80 2df4 h ARG 357 Ca -0.00 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2df4 h ARG 357 Cb 0.50 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2df4 h ARG 357 CO 0.03 0.83 -0.02 0.00 -1.07 0.00 0.00 179.97 179.75 2df4 h ARG 358 N 0.35 -0.04 -0.17 0.04 2.47 -1.08 -1.12 114.38 114.83 2df4 h ARG 358 Ca 0.07 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.83 2df4 h ARG 358 Cb 0.65 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.93 2df4 h ARG 358 CO 0.04 0.03 -0.14 0.82 0.56 0.00 0.00 179.97 181.29 2df4 h ILE 359 N -0.11 0.61 -0.08 2.04 2.04 -1.28 0.57 117.51 121.31 2df4 h ILE 359 Ca -0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2df4 h ILE 359 Cb 0.09 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2df4 h ILE 359 CO 0.01 0.00 -0.14 -0.26 0.00 0.00 0.00 178.15 177.76 2df4 h PHE 360 N -0.15 -0.36 0.62 1.37 0.04 -0.91 0.51 116.94 118.06 2df4 h PHE 360 Ca 0.11 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 2df4 h PHE 360 Cb 0.30 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 2df4 h PHE 360 CO -0.27 -0.21 -0.48 1.25 -0.60 0.00 0.00 178.31 177.99 2df4 h LEU 361 N -0.19 -1.28 -0.07 1.54 6.46 -0.65 -1.27 115.31 119.84 2df4 h LEU 361 Ca 0.08 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2df4 h LEU 361 Cb 0.30 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.57 2df4 h LEU 361 CO -0.20 -0.69 -0.51 1.23 -0.62 0.00 0.00 178.44 177.66 2df4 h GLY 362 N -1.07 -1.00 -0.08 3.75 0.00 0.38 0.38 103.07 105.43 2df4 h GLY 362 Ca -0.08 0.63 0.25 0.00 0.00 0.00 0.00 47.33 48.13 2df4 h GLY 362 CO 0.02 -0.22 0.65 -0.84 0.00 0.00 0.00 176.54 176.14 2df4 h THR 363 N -0.60 0.55 0.08 4.70 2.02 0.05 -0.25 112.91 119.46 2df4 h THR 363 Ca 0.04 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2df4 h THR 363 Cb 0.69 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2df4 h THR 363 CO -0.39 0.09 -0.04 0.15 0.37 0.00 0.00 175.52 175.70 2df4 h PHE 364 N 0.47 -0.09 -0.34 3.16 3.04 0.17 -1.61 116.94 121.74 2df4 h PHE 364 Ca 0.60 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.64 2df4 h PHE 364 Cb 1.37 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 2df4 h PHE 364 CO -0.00 0.37 0.45 0.00 -2.02 0.00 0.00 178.31 177.11 2df4 h ALA 365 N 0.23 1.98 0.02 2.41 0.00 0.14 -2.02 119.26 122.02 2df4 h ALA 365 Ca -0.01 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.52 2df4 h ALA 365 Cb 0.51 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2df4 h ALA 365 CO 0.02 -0.63 -2.27 1.28 0.00 0.00 0.00 179.25 177.65 2df4 n LEU 366 N -3.51 1.73 -4.26 0.00 4.77 -0.67 -3.33 117.00 111.73 2df4 n LEU 366 Ca 0.06 0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.70 2df4 n LEU 366 Cb 0.60 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2df4 n LEU 366 CO 0.24 0.72 -0.57 -1.54 -1.33 0.00 0.00 177.39 174.91 2df4 n SER 367 N -3.11 -3.39 -4.69 -1.43 3.41 -0.61 -3.89 113.62 99.91 2df4 n SER 367 Ca -0.36 0.52 -0.44 0.00 -0.26 0.00 0.00 58.87 58.33 2df4 n SER 367 Cb 1.06 -0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 2df4 n SER 367 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2df4 n SER 368 N 1.80 3.16 0.00 4.04 2.88 -1.26 -1.65 113.62 122.59 2df4 n SER 368 Ca 0.06 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2df4 n SER 368 Cb 0.50 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 2df4 n SER 368 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2df4 n GLY 369 N 2.66 2.54 0.00 0.46 0.00 -1.26 -4.76 105.19 104.83 2df4 n GLY 369 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2df4 n GLY 369 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2df4 n TYR 370 N -2.00 0.00 -0.25 1.61 4.01 -0.90 -4.75 117.16 114.88 2df4 n TYR 370 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 2df4 n TYR 370 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 2df4 n TYR 370 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2df4 h TYR 371 N 0.00 -1.74 -0.59 -0.72 5.03 -1.31 -0.02 116.97 117.61 2df4 h TYR 371 Ca 0.00 0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 2df4 h TYR 371 Cb 0.00 0.85 -0.03 0.00 1.55 0.00 0.00 36.73 39.10 2df4 h TYR 371 CO 0.00 -0.44 0.32 -0.44 -1.32 0.00 0.00 178.16 176.27 2df4 h ASP 372 N -0.24 0.74 0.47 -2.11 3.32 -1.88 -0.38 116.42 116.35 2df4 h ASP 372 Ca 0.11 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2df4 h ASP 372 Cb 0.53 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2df4 h ASP 372 CO -0.73 0.63 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 2df4 h ALA 373 N 1.14 1.00 0.00 3.45 0.00 -1.55 -2.66 119.26 120.65 2df4 h ALA 373 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2df4 h ALA 373 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2df4 h ALA 373 CO -0.03 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.88 2df4 n TYR 374 N -2.77 -0.87 0.26 0.00 4.02 -0.13 -4.71 117.16 112.96 2df4 n TYR 374 Ca -0.01 0.15 -0.10 0.00 -0.01 0.00 0.00 57.90 57.93 2df4 n TYR 374 Cb 0.17 0.22 -0.05 0.00 -0.02 0.00 0.00 39.34 39.66 2df4 n TYR 374 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2df4 h TYR 375 N 0.00 -0.63 -0.69 -0.72 3.20 -1.10 -0.91 116.97 116.12 2df4 h TYR 375 Ca 0.00 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.00 2df4 h TYR 375 Cb 0.00 0.21 -0.12 0.00 1.54 0.00 0.00 36.73 38.36 2df4 h TYR 375 CO 0.00 -0.39 -0.01 -0.22 -1.64 0.00 0.00 178.16 175.90 2df4 h LYS 376 N -0.80 0.10 0.12 1.82 1.63 -1.49 0.73 116.57 118.69 2df4 h LYS 376 Ca -0.07 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.74 2df4 h LYS 376 Cb 0.52 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.10 2df4 h LYS 376 CO 0.11 0.07 -0.23 -0.22 -3.45 0.00 0.00 179.45 175.73 2df4 h LYS 377 N 0.10 -0.41 -0.91 1.90 1.63 -1.48 -0.90 116.57 116.50 2df4 h LYS 377 Ca 0.37 0.03 0.10 0.00 -0.85 0.00 0.00 60.65 60.30 2df4 h LYS 377 Cb 0.62 0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 32.26 2df4 h LYS 377 CO -0.61 -0.28 0.55 0.77 -3.45 0.00 0.00 179.45 176.44 2df4 h SER 378 N -0.43 0.81 -0.58 4.20 0.02 0.20 0.77 113.55 118.53 2df4 h SER 378 Ca 0.03 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2df4 h SER 378 Cb 0.45 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2df4 h SER 378 CO -0.12 0.45 0.26 1.56 -1.14 0.00 0.00 176.83 177.83 2df4 h GLN 379 N 0.90 0.89 -0.26 3.45 4.20 -0.22 0.33 115.11 124.40 2df4 h GLN 379 Ca 0.44 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.88 2df4 h GLN 379 Cb 0.41 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2df4 h GLN 379 CO -0.25 0.72 -0.42 0.87 -0.67 0.00 0.00 178.83 179.08 2df4 h LYS 380 N 0.88 0.62 -0.70 1.46 1.57 0.37 -2.83 116.57 117.95 2df4 h LYS 380 Ca 0.21 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2df4 h LYS 380 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2df4 h LYS 380 CO -0.02 0.93 0.21 0.28 -0.57 0.00 0.00 179.45 180.28 2df4 h VAL 381 N 0.51 1.26 -0.97 0.50 2.07 -0.23 -2.15 116.25 117.23 2df4 h VAL 381 Ca 0.04 -0.89 0.12 0.00 0.82 0.00 0.00 66.70 66.78 2df4 h VAL 381 Cb 0.95 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.15 2df4 h VAL 381 CO 0.09 0.35 0.62 -0.09 0.02 0.00 0.00 177.57 178.55 2df4 h ARG 382 N 1.03 0.92 -0.83 1.57 2.43 -0.72 0.14 114.38 118.91 2df4 h ARG 382 Ca 0.23 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2df4 h ARG 382 Cb 0.31 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2df4 h ARG 382 CO -0.01 0.61 0.54 1.15 -1.51 0.00 0.00 179.97 180.75 2df4 h THR 383 N 0.94 1.22 0.41 0.20 2.02 -1.16 -1.98 112.91 114.56 2df4 h THR 383 Ca 0.48 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2df4 h THR 383 Cb 0.50 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2df4 h THR 383 CO -0.24 0.21 -0.20 -0.07 0.37 0.00 0.00 175.52 175.59 2df4 h LEU 384 N 1.13 -0.47 -1.93 2.58 3.38 -0.60 -1.96 115.31 117.43 2df4 h LEU 384 Ca 0.30 -0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.43 2df4 h LEU 384 Cb -0.11 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2df4 h LEU 384 CO -0.06 -0.19 0.60 0.40 0.09 0.00 0.00 178.44 179.28 2df4 h ILE 385 N -0.75 0.59 0.10 1.22 2.04 -0.90 -0.01 117.51 119.81 2df4 h ILE 385 Ca -0.06 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.61 2df4 h ILE 385 Cb 0.52 0.53 0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2df4 h ILE 385 CO 0.09 0.01 -0.74 0.50 0.00 0.00 0.00 178.15 178.01 2df4 h LYS 386 N 0.06 0.33 -0.67 2.37 3.64 -1.17 -3.26 116.57 117.87 2df4 h LYS 386 Ca 0.41 -0.49 0.12 0.00 -1.27 0.00 0.00 60.65 59.42 2df4 h LYS 386 Cb 1.55 0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 33.45 2df4 h LYS 386 CO -0.03 1.20 0.22 -0.91 -2.27 0.00 0.00 179.45 177.65 2df4 h ASN 387 N -0.29 0.16 -0.73 4.20 -0.26 -0.26 0.27 115.58 118.66 2df4 h ASN 387 Ca -0.12 0.11 0.14 0.00 -0.56 0.00 0.00 56.30 55.87 2df4 h ASN 387 Cb 1.53 0.11 -0.14 0.00 -1.06 0.00 0.00 38.32 38.77 2df4 h ASN 387 CO 0.14 0.07 -0.24 0.44 -1.06 0.00 0.00 177.43 176.79 2df4 h ASP 388 N 0.36 -0.86 0.02 5.81 5.19 -1.27 0.49 116.42 126.16 2df4 h ASP 388 Ca 0.36 0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 57.00 2df4 h ASP 388 Cb 0.52 0.51 0.00 0.00 0.18 0.00 0.00 39.33 40.54 2df4 h ASP 388 CO -0.39 -0.27 -0.01 -0.26 -3.12 0.00 0.00 179.24 175.19 2df4 h PHE 389 N -0.04 -0.03 -0.55 4.55 0.04 -0.95 -2.07 116.94 117.88 2df4 h PHE 389 Ca 0.33 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.19 2df4 h PHE 389 Cb 0.56 0.01 -0.11 0.00 2.20 0.00 0.00 35.95 38.61 2df4 h PHE 389 CO -0.63 0.22 -0.38 -0.44 -0.60 0.00 0.00 178.31 176.48 2df4 h ASP 390 N -0.28 -1.31 0.02 2.17 3.32 0.25 0.28 116.42 120.87 2df4 h ASP 390 Ca -0.00 0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.30 2df4 h ASP 390 Cb 0.26 0.62 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 2df4 h ASP 390 CO 0.01 -0.32 -0.18 0.11 -1.72 0.00 0.00 179.24 177.13 2df4 h LYS 391 N -0.21 -0.29 -0.43 3.56 1.57 -0.14 -2.79 116.57 117.84 2df4 h LYS 391 Ca 0.20 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 2df4 h LYS 391 Cb 0.56 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 2df4 h LYS 391 CO -0.66 -0.19 0.07 0.28 -0.57 0.00 0.00 179.45 178.38 2df4 h VAL 392 N -0.30 0.76 0.00 0.50 2.07 -0.49 -0.82 116.25 117.98 2df4 h VAL 392 Ca 0.05 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2df4 h VAL 392 Cb 0.36 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2df4 h VAL 392 CO -0.15 0.04 0.00 0.49 0.02 0.00 0.00 177.57 177.97 2df4 n PHE 393 N -5.11 0.06 0.31 1.57 3.72 0.87 -1.84 117.46 117.02 2df4 n PHE 393 Ca 0.04 0.03 0.17 0.00 -0.05 0.00 0.00 57.45 57.63 2df4 n PHE 393 Cb 0.20 -0.54 0.71 0.00 -0.94 0.00 0.00 39.48 38.91 2df4 n PHE 393 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2df4 h GLU 394 N 0.00 0.00 0.00 -1.08 5.08 -0.95 -3.28 114.58 114.34 2df4 h GLU 394 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2df4 h GLU 394 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2df4 h GLU 394 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 2df4 n ASN 395 N -2.88 0.06 -4.27 1.42 3.02 -0.77 -5.09 115.26 106.75 2df4 n ASN 395 Ca 0.00 -0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 53.97 2df4 n ASN 395 Cb 0.25 0.23 -0.14 0.00 -0.61 0.00 0.00 39.78 39.51 2df4 n ASN 395 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2df4 s TYR 396 N -0.23 1.89 -0.01 3.10 1.51 -0.81 -4.91 117.35 117.89 2df4 s TYR 396 Ca 0.00 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.48 2df4 s TYR 396 Cb 0.00 -1.11 -0.32 0.00 -0.11 0.00 0.00 41.96 40.42 2df4 s TYR 396 CO 0.00 0.12 0.96 -0.44 -1.11 0.00 0.00 175.55 175.08 2df4 h ASP 397 N 4.71 0.63 -5.39 2.29 3.32 -1.45 -3.40 116.42 117.14 2df4 h ASP 397 Ca -0.44 -0.92 -0.15 0.00 0.02 0.00 0.00 57.03 55.54 2df4 h ASP 397 Cb 1.16 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 2df4 h ASP 397 CO 0.43 1.51 -0.44 0.68 -1.72 0.00 0.00 179.24 179.70 2df4 s VAL 398 N -2.58 0.04 0.06 -1.35 -7.23 -1.07 -4.42 120.40 103.85 2df4 s VAL 398 Ca -0.12 -1.68 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 2df4 s VAL 398 Cb 0.02 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2df4 s VAL 398 CO 0.88 -0.18 -0.26 -0.69 -0.31 0.00 0.00 175.10 174.53 2df4 s VAL 399 N -4.05 2.15 0.08 1.32 1.01 0.07 -0.58 120.40 120.40 2df4 s VAL 399 Ca 0.26 -1.44 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2df4 s VAL 399 Cb 0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2df4 s VAL 399 CO 0.06 0.33 -0.07 0.54 0.00 0.00 0.00 175.10 175.96 2df4 s VAL 400 N -0.84 0.64 0.00 2.92 0.11 -0.07 -0.65 120.40 122.51 2df4 s VAL 400 Ca 0.12 -1.70 0.00 0.00 -2.93 0.00 0.00 61.98 57.47 2df4 s VAL 400 Cb -0.10 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 2df4 s VAL 400 CO 0.03 -0.74 0.00 0.61 -3.33 0.00 0.00 175.10 171.66 2df4 n GLY 401 N 0.38 -0.17 3.73 6.54 0.00 -1.07 -3.97 105.19 110.64 2df4 n GLY 401 Ca -0.15 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 2df4 n GLY 401 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2df4 s PRO 402 N -2.00 1.87 -0.17 1.61 0.04 -1.26 -0.78 135.00 134.31 2df4 s PRO 402 Ca 0.00 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.24 2df4 s PRO 402 Cb 0.00 -1.84 -0.22 0.00 0.04 0.00 0.00 34.50 32.48 2df4 s PRO 402 CO 0.00 -1.96 0.26 2.41 0.04 0.00 0.00 177.00 177.75 2df4 n THR 403 N -3.63 1.64 -4.74 1.26 -1.04 -0.69 -4.50 114.28 102.58 2df4 n THR 403 Ca 0.10 -0.31 -0.27 0.00 -2.04 0.00 0.00 64.05 61.53 2df4 n THR 403 Cb 0.52 -1.90 -0.14 0.00 -1.82 0.00 0.00 70.33 66.99 2df4 n THR 403 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2df4 s ALA 404 N -2.45 1.97 0.41 2.41 0.00 -1.26 -4.27 121.76 118.57 2df4 s ALA 404 Ca -0.26 -1.15 0.09 0.00 0.00 0.00 0.00 51.96 50.63 2df4 s ALA 404 Cb 0.06 -0.40 0.87 0.00 0.00 0.00 0.00 23.12 23.66 2df4 s ALA 404 CO 0.66 0.45 2.02 -1.35 0.00 0.00 0.00 175.76 177.55 2df4 h PRO 405 N 4.81 0.39 -4.68 0.00 0.11 -1.86 -3.45 132.00 127.32 2df4 h PRO 405 Ca -0.44 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 2df4 h PRO 405 Cb 1.15 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 2df4 h PRO 405 CO 0.44 0.33 -0.63 0.95 -0.21 0.00 0.00 178.00 178.87 2df4 s THR 406 N -5.20 0.34 1.18 -1.15 -4.23 -1.26 -0.48 115.64 104.82 2df4 s THR 406 Ca -0.07 -1.97 -0.16 0.00 -1.18 0.00 0.00 61.69 58.31 2df4 s THR 406 Cb 0.17 -2.35 0.28 0.00 1.34 0.00 0.00 72.50 71.93 2df4 s THR 406 CO 0.73 -0.22 1.04 0.42 -0.54 0.00 0.00 174.62 176.05 2df4 s THR 407 N -3.91 1.80 0.45 3.99 -4.23 -1.26 -4.89 115.64 107.59 2df4 s THR 407 Ca 0.32 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.59 2df4 s THR 407 Cb 0.07 -2.27 -0.09 0.00 1.34 0.00 0.00 72.50 71.55 2df4 s THR 407 CO 0.08 0.00 1.22 0.00 -0.54 0.00 0.00 174.62 175.38 2df4 n ALA 408 N -4.82 1.09 -2.30 3.99 0.00 -1.26 -4.99 120.51 112.22 2df4 n ALA 408 Ca 0.07 0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 2df4 n ALA 408 Cb 0.57 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.79 2df4 n ALA 408 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2df4 s PHE 409 N -1.25 3.04 0.49 0.00 -0.12 -1.26 -4.89 117.98 114.00 2df4 s PHE 409 Ca 0.64 -0.16 -0.22 0.00 -0.05 0.00 0.00 56.93 57.14 2df4 s PHE 409 Cb -0.49 -2.20 -0.07 0.00 -0.63 0.00 0.00 43.02 39.63 2df4 s PHE 409 CO 0.56 -0.24 1.19 -0.80 -0.05 0.00 0.00 175.22 175.88 2df4 s ASN 410 N -4.24 5.91 0.04 1.98 -0.87 -1.26 -1.71 114.94 114.78 2df4 s ASN 410 Ca 0.49 2.36 -0.30 0.00 -1.57 0.00 0.00 52.86 53.84 2df4 s ASN 410 Cb -0.10 -2.60 -0.08 0.00 -0.02 0.00 0.00 41.25 38.45 2df4 s ASN 410 CO 0.33 -1.10 1.69 -0.76 -2.57 0.00 0.00 177.10 174.69 2df4 s LEU 411 N -3.27 4.36 0.00 0.60 1.43 -0.98 -1.25 118.68 119.57 2df4 s LEU 411 Ca 0.67 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 56.22 2df4 s LEU 411 Cb -0.30 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.37 2df4 s LEU 411 CO 0.36 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.63 2df4 n GLY 412 N 4.09 0.82 0.08 -3.19 0.00 -1.26 -4.92 105.19 100.81 2df4 n GLY 412 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2df4 n GLY 412 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2df4 h GLU 413 N 2.93 0.09 -0.06 1.61 4.81 -1.55 -3.36 114.58 119.04 2df4 h GLU 413 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2df4 h GLU 413 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2df4 h GLU 413 CO 0.00 0.62 0.00 0.39 -0.73 0.00 0.00 179.01 179.29 2df4 n GLU 414 N -4.74 2.51 0.12 1.92 1.02 -1.26 -4.68 120.64 115.52 2df4 n GLU 414 Ca -0.08 -1.48 0.11 0.00 -0.02 0.00 0.00 57.16 55.69 2df4 n GLU 414 Cb 0.31 -1.05 0.61 0.00 -0.02 0.00 0.00 31.44 31.30 2df4 n GLU 414 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2df4 h ILE 415 N 0.39 0.93 -0.50 -3.67 6.09 -1.90 -0.45 117.51 118.40 2df4 h ILE 415 Ca 0.00 -0.04 -0.16 0.00 -1.37 0.00 0.00 64.86 63.29 2df4 h ILE 415 Cb 0.49 0.80 -0.09 0.00 0.47 0.00 0.00 36.82 38.49 2df4 h ILE 415 CO 0.00 0.02 0.11 0.47 -3.07 0.00 0.00 178.15 175.69 2df4 n ASP 416 N -4.48 3.83 -3.19 2.19 8.00 -1.26 -4.62 116.55 117.02 2df4 n ASP 416 Ca 0.03 -3.34 -0.23 0.00 0.71 0.00 0.00 54.79 51.96 2df4 n ASP 416 Cb 0.26 -0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 40.63 2df4 n ASP 416 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2df4 n ASP 417 N -0.60 0.21 -0.34 -2.24 -0.08 -0.18 -5.00 116.55 108.32 2df4 n ASP 417 Ca 0.34 -2.72 0.19 0.00 -1.51 0.00 0.00 54.79 51.08 2df4 n ASP 417 Cb 1.16 -0.62 0.40 0.00 2.34 0.00 0.00 41.12 44.39 2df4 n ASP 417 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2df4 h PRO 418 N 3.91 0.53 -0.60 -0.67 0.13 -1.82 -0.85 132.00 132.63 2df4 h PRO 418 Ca 0.07 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 2df4 h PRO 418 Cb 0.89 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 2df4 h PRO 418 CO 0.46 0.35 0.27 -0.07 -0.23 0.00 0.00 178.00 178.79 2df4 h LEU 419 N 0.54 0.80 -0.26 1.56 -0.00 -1.94 -0.91 115.31 115.11 2df4 h LEU 419 Ca 0.66 -0.14 -0.20 0.00 -0.00 0.00 0.00 57.88 58.19 2df4 h LEU 419 Cb 1.29 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 2df4 h LEU 419 CO -0.50 0.72 -0.89 0.71 -0.00 0.00 0.00 178.44 178.49 2df4 h THR 420 N 0.83 1.48 -0.85 0.22 1.35 -1.74 -2.85 112.91 111.35 2df4 h THR 420 Ca 0.20 -2.59 0.09 0.00 -0.55 0.00 0.00 66.41 63.57 2df4 h THR 420 Cb 0.15 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 68.97 2df4 h THR 420 CO -0.02 0.76 0.55 -0.03 -0.25 0.00 0.00 175.52 176.53 2df4 h MET 421 N 0.13 0.81 -0.14 4.72 1.85 -0.89 -2.22 114.93 119.19 2df4 h MET 421 Ca -0.05 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 2df4 h MET 421 Cb 1.52 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 33.37 2df4 h MET 421 CO 0.14 0.53 -0.03 1.88 -0.40 0.00 0.00 176.91 179.04 2df4 h TYR 422 N 0.83 0.29 -1.13 1.39 0.05 -0.95 -3.17 116.97 114.27 2df4 h TYR 422 Ca 0.39 -0.06 0.33 0.00 0.05 0.00 0.00 58.73 59.44 2df4 h TYR 422 Cb 0.40 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 2df4 h TYR 422 CO -0.00 0.53 1.14 0.00 -1.05 0.00 0.00 178.16 178.78 2df4 h ALA 423 N 0.71 3.03 0.00 3.88 0.00 -1.19 0.31 119.26 126.01 2df4 h ALA 423 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2df4 h ALA 423 Cb 0.44 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2df4 h ALA 423 CO 0.01 -1.72 0.00 -0.91 0.00 0.00 0.00 179.25 176.63 2df4 h ASN 424 N 0.00 0.00 -0.39 0.00 2.35 -1.62 -2.51 115.58 113.41 2df4 h ASN 424 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 2df4 h ASN 424 Cb 2.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.18 2df4 h ASN 424 CO -0.01 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.24 2df4 n ASP 425 N -2.82 3.43 -0.07 5.81 8.00 0.11 -4.50 116.55 126.50 2df4 n ASP 425 Ca -0.00 -2.38 -0.07 0.00 0.71 0.00 0.00 54.79 53.04 2df4 n ASP 425 Cb 0.19 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 2df4 n ASP 425 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2df4 h LEU 426 N 2.53 -0.47 0.00 0.64 5.85 -1.63 -2.83 115.31 119.40 2df4 h LEU 426 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2df4 h LEU 426 Cb 1.15 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.44 2df4 h LEU 426 CO 0.20 -0.18 -0.50 0.18 -0.34 0.00 0.00 178.44 177.81 2df4 n LEU 427 N -5.31 0.49 -0.11 2.25 4.77 -1.26 -4.51 117.00 113.32 2df4 n LEU 427 Ca -0.00 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 2df4 n LEU 427 Cb 0.23 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2df4 n LEU 427 CO 0.17 0.10 -0.90 0.35 -1.33 0.00 0.00 177.39 175.79 2df4 n THR 428 N -1.56 1.52 -0.39 -5.08 -2.24 -1.15 -4.58 114.28 100.80 2df4 n THR 428 Ca 0.05 -0.13 0.34 0.00 -2.27 0.00 0.00 64.05 62.04 2df4 n THR 428 Cb 0.35 -2.05 0.61 0.00 -2.10 0.00 0.00 70.33 67.13 2df4 n THR 428 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2df4 h THR 429 N -1.00 0.10 -0.95 4.28 1.35 -1.43 -0.88 112.91 114.38 2df4 h THR 429 Ca -0.42 -0.03 0.11 0.00 -0.55 0.00 0.00 66.41 65.52 2df4 h THR 429 Cb 1.31 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.66 2df4 h THR 429 CO -0.25 0.02 0.61 -0.65 -0.25 0.00 0.00 175.52 174.99 2df4 h PRO 430 N 0.09 0.90 -0.14 4.72 0.11 -1.82 -2.13 132.00 133.74 2df4 h PRO 430 Ca 0.82 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.87 2df4 h PRO 430 Cb 2.35 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 33.26 2df4 h PRO 430 CO -0.56 0.59 0.07 0.28 -0.21 0.00 0.00 178.00 178.17 2df4 h VAL 431 N 0.92 1.13 -0.59 3.15 2.07 -1.44 -0.24 116.25 121.25 2df4 h VAL 431 Ca 0.46 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 2df4 h VAL 431 Cb 0.48 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2df4 h VAL 431 CO -0.22 0.12 0.25 0.78 0.02 0.00 0.00 177.57 178.52 2df4 h ASN 432 N 0.09 0.76 -0.61 0.57 4.21 -1.59 1.06 115.58 120.08 2df4 h ASN 432 Ca 0.05 -0.09 -0.09 0.00 1.21 0.00 0.00 56.30 57.38 2df4 h ASN 432 Cb 0.13 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.11 2df4 h ASN 432 CO -0.01 0.67 0.04 -0.07 -1.29 0.00 0.00 177.43 176.78 2df4 h LEU 433 N 0.83 1.01 0.00 1.61 -0.00 -1.12 -2.24 115.31 115.40 2df4 h LEU 433 Ca 0.20 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2df4 h LEU 433 Cb 0.14 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.53 2df4 h LEU 433 CO -0.02 1.05 -0.17 0.00 -0.00 0.00 0.00 178.44 179.29 2df4 n ALA 434 N -2.46 2.48 -1.16 1.53 0.00 -0.13 -4.87 120.51 115.90 2df4 n ALA 434 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 2df4 n ALA 434 Cb 0.32 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 2df4 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2df4 n GLY 435 N 1.34 0.76 3.91 0.00 0.00 0.36 -5.00 105.19 106.55 2df4 n GLY 435 Ca 0.05 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 2df4 n GLY 435 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2df4 s LEU 436 N -1.26 2.57 -0.16 0.99 1.43 -0.67 -1.60 118.68 119.98 2df4 s LEU 436 Ca 0.00 0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 2df4 s LEU 436 Cb 0.00 -3.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 2df4 s LEU 436 CO 0.00 -2.12 0.21 -2.16 0.23 0.00 0.00 176.35 172.51 2df4 s PRO 437 N -5.65 4.08 0.19 1.29 0.04 -1.25 -4.42 135.00 129.28 2df4 s PRO 437 Ca 0.65 -0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.73 2df4 s PRO 437 Cb -0.09 -3.37 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 2df4 s PRO 437 CO 0.50 0.38 -0.15 0.20 0.04 0.00 0.00 177.00 177.97 2df4 s GLY 438 N 0.08 1.39 -0.14 0.56 0.00 -0.86 -0.87 107.32 107.48 2df4 s GLY 438 Ca 0.13 -1.62 -0.13 0.00 0.00 0.00 0.00 44.72 43.10 2df4 s GLY 438 CO 0.02 -1.71 0.38 -1.50 0.00 0.00 0.00 173.10 170.29 2df4 s ILE 439 N -2.86 -0.00 -0.07 0.90 2.07 -0.88 -1.80 121.20 118.56 2df4 s ILE 439 Ca 0.21 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.50 2df4 s ILE 439 Cb -0.01 -0.54 -0.00 0.00 0.13 0.00 0.00 42.46 42.04 2df4 s ILE 439 CO 0.06 0.00 -0.23 -0.55 -1.91 0.00 0.00 174.94 172.32 2df4 s SER 440 N 0.23 2.85 0.08 4.50 0.15 -0.39 -0.54 113.70 120.59 2df4 s SER 440 Ca -0.00 -0.49 0.06 0.00 0.70 0.00 0.00 55.95 56.22 2df4 s SER 440 Cb -0.03 -1.02 -0.03 0.00 -1.71 0.00 0.00 66.02 63.23 2df4 s SER 440 CO 0.00 0.18 -0.16 0.68 1.20 0.00 0.00 173.24 175.15 2df4 s VAL 441 N 0.11 1.28 0.41 4.45 -7.23 -0.28 -1.78 120.40 117.36 2df4 s VAL 441 Ca -0.10 -1.39 -0.25 0.00 -1.81 0.00 0.00 61.98 58.43 2df4 s VAL 441 Cb -0.15 -1.22 -0.08 0.00 0.56 0.00 0.00 36.38 35.48 2df4 s VAL 441 CO 0.05 -0.20 1.19 -2.16 -0.31 0.00 0.00 175.10 173.68 2df4 s PRO 442 N -1.84 3.97 0.00 4.82 0.04 -1.26 -0.78 135.00 139.95 2df4 s PRO 442 Ca 0.01 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2df4 s PRO 442 Cb -0.10 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2df4 s PRO 442 CO 0.03 -0.40 0.68 0.00 0.04 0.00 0.00 177.00 177.34 2df4 n GLY 444 N 0.00 -1.96 3.31 0.00 0.00 -1.24 -4.81 105.19 100.49 2df4 n GLY 444 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 2df4 n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2df4 s GLN 445 N -1.95 0.47 -0.23 1.61 -0.21 -1.26 -0.91 119.66 117.19 2df4 s GLN 445 Ca 0.00 0.67 -0.00 0.00 0.02 0.00 0.00 55.36 56.05 2df4 s GLN 445 Cb 0.00 0.15 0.06 0.00 1.00 0.00 0.00 33.01 34.23 2df4 s GLN 445 CO 0.00 -0.09 -0.01 0.45 -2.12 0.00 0.00 175.29 173.51 2df4 s SER 446 N 0.64 3.57 -1.21 5.90 0.15 0.73 -4.69 113.70 118.79 2df4 s SER 446 Ca -0.03 -1.11 -0.05 0.00 0.70 0.00 0.00 55.95 55.46 2df4 s SER 446 Cb -0.05 -0.98 0.01 0.00 -1.71 0.00 0.00 66.02 63.29 2df4 s SER 446 CO -0.04 -0.27 0.65 0.59 1.20 0.00 0.00 173.24 175.37 2df4 n ASN 447 N 4.80 -5.38 0.00 5.45 3.02 -1.26 -2.11 115.26 119.78 2df4 n ASN 447 Ca -0.10 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2df4 n ASN 447 Cb 0.45 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.47 2df4 n ASN 447 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2df4 n GLY 448 N -1.50 3.14 3.70 7.41 0.00 -1.26 -5.00 105.19 111.67 2df4 n GLY 448 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2df4 n GLY 448 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2df4 s ARG 449 N -0.27 4.41 0.60 1.61 0.52 -0.90 -4.87 118.95 120.06 2df4 s ARG 449 Ca 0.00 1.10 -0.18 0.00 -0.52 0.00 0.00 55.73 56.13 2df4 s ARG 449 Cb 0.00 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 2df4 s ARG 449 CO 0.00 -0.14 1.15 -1.25 0.02 0.00 0.00 175.30 175.07 2df4 s PRO 450 N 1.46 3.03 -0.05 3.54 0.04 -1.26 -0.19 135.00 141.56 2df4 s PRO 450 Ca 0.42 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2df4 s PRO 450 Cb -0.18 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2df4 s PRO 450 CO 0.18 -1.11 -0.13 0.42 0.04 0.00 0.00 177.00 176.40 2df4 s ILE 451 N -1.91 3.15 -0.10 0.56 1.01 -0.08 -4.50 121.20 119.33 2df4 s ILE 451 Ca 0.72 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.60 2df4 s ILE 451 Cb -0.25 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2df4 s ILE 451 CO 0.34 0.59 0.19 -0.83 0.00 0.00 0.00 174.94 175.23 2df4 s GLY 452 N -0.70 2.22 -0.18 6.18 0.00 -1.26 -1.36 107.32 112.21 2df4 s GLY 452 Ca 0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2df4 s GLY 452 CO 0.01 -0.27 -0.12 -2.27 0.00 0.00 0.00 173.10 170.45 2df4 s LEU 453 N -1.00 2.57 -0.02 0.66 2.96 0.04 -1.71 118.68 122.17 2df4 s LEU 453 Ca 0.16 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2df4 s LEU 453 Cb -0.13 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 2df4 s LEU 453 CO 0.06 0.03 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.52 2df4 s GLN 454 N 1.16 2.80 -0.24 1.98 0.74 0.04 -1.13 119.66 125.00 2df4 s GLN 454 Ca 0.01 -0.58 0.02 0.00 0.05 0.00 0.00 55.36 54.86 2df4 s GLN 454 Cb -0.14 -2.67 0.06 0.00 1.10 0.00 0.00 33.01 31.35 2df4 s GLN 454 CO -0.04 0.64 -0.08 -0.06 -0.55 0.00 0.00 175.29 175.19 2df4 s PHE 455 N -1.02 2.79 -0.31 1.67 0.08 0.30 -2.59 117.98 118.89 2df4 s PHE 455 Ca 0.18 -1.99 -0.14 0.00 0.12 0.00 0.00 56.93 55.09 2df4 s PHE 455 Cb -0.11 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2df4 s PHE 455 CO 0.08 -0.82 0.30 0.42 -0.10 0.00 0.00 175.22 175.10 2df4 s ILE 456 N 1.26 5.22 0.52 0.64 1.01 0.18 -2.06 121.20 127.97 2df4 s ILE 456 Ca -0.07 0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2df4 s ILE 456 Cb -0.19 -3.71 0.06 0.00 0.01 0.00 0.00 42.46 38.63 2df4 s ILE 456 CO -0.06 0.05 0.47 0.61 0.00 0.00 0.00 174.94 176.02 2df4 n GLY 457 N 4.95 2.57 3.85 6.18 0.00 -0.05 -0.75 105.19 121.95 2df4 n GLY 457 Ca -0.11 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.32 2df4 n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2df4 s LYS 458 N -4.19 3.84 0.00 1.61 1.02 -1.26 -3.86 119.74 116.91 2df4 s LYS 458 Ca 0.36 0.85 -0.37 0.00 0.02 0.00 0.00 55.97 56.83 2df4 s LYS 458 Cb -0.03 -2.15 -0.16 0.00 -0.52 0.00 0.00 37.83 34.97 2df4 s LYS 458 CO 0.23 -0.32 1.47 -0.35 -0.92 0.00 0.00 175.35 175.45 2df4 n PRO 459 N -1.85 1.25 -2.01 -1.68 -0.04 -1.26 -0.91 135.00 128.51 2df4 n PRO 459 Ca 0.06 0.45 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 2df4 n PRO 459 Cb 0.54 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 2df4 n PRO 459 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2df4 n PHE 460 N 3.38 -0.49 -1.56 0.54 3.72 -1.26 -4.89 117.46 116.90 2df4 n PHE 460 Ca 0.20 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.46 2df4 n PHE 460 Cb 0.19 -3.09 0.14 0.00 -0.94 0.00 0.00 39.48 35.77 2df4 n PHE 460 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2df4 n ASP 461 N -0.87 3.85 0.00 4.37 2.03 -0.08 -4.74 116.55 121.11 2df4 n ASP 461 Ca -0.18 -3.78 0.09 0.00 0.52 0.00 0.00 54.79 51.44 2df4 n ASP 461 Cb 0.60 -0.64 0.50 0.00 -0.72 0.00 0.00 41.12 40.87 2df4 n ASP 461 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2df4 h GLU 462 N 1.41 0.37 -0.93 -0.67 3.07 -1.90 -2.16 114.58 113.77 2df4 h GLU 462 Ca 0.34 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.20 2df4 h GLU 462 Cb 1.57 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 29.35 2df4 h GLU 462 CO 0.69 0.25 0.61 1.57 -1.40 0.00 0.00 179.01 180.73 2df4 h LYS 463 N 0.39 1.18 -0.42 2.33 2.10 -1.85 -0.77 116.57 119.53 2df4 h LYS 463 Ca 0.19 -0.07 -0.06 0.00 -2.00 0.00 0.00 60.65 58.71 2df4 h LYS 463 Cb 0.25 -0.27 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 2df4 h LYS 463 CO -0.04 0.78 0.04 1.15 -2.00 0.00 0.00 179.45 179.38 2df4 h THR 464 N 1.22 1.25 -0.66 0.07 2.02 -1.75 -1.08 112.91 113.98 2df4 h THR 464 Ca 0.35 -0.93 0.08 0.00 0.77 0.00 0.00 66.41 66.69 2df4 h THR 464 Cb -0.08 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.30 2df4 h THR 464 CO -0.09 0.32 0.32 -0.07 0.37 0.00 0.00 175.52 176.37 2df4 h LEU 465 N 0.56 0.41 -1.14 2.58 3.38 -1.21 0.77 115.31 120.67 2df4 h LEU 465 Ca 0.12 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2df4 h LEU 465 Cb 0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2df4 h LEU 465 CO 0.01 0.25 -0.24 1.88 0.09 0.00 0.00 178.44 180.43 2df4 h TYR 466 N 0.56 0.34 0.33 1.13 0.05 -0.88 0.21 116.97 118.71 2df4 h TYR 466 Ca 0.32 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 59.02 2df4 h TYR 466 Cb 0.32 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2df4 h TYR 466 CO -0.12 0.53 -0.16 -0.09 -1.05 0.00 0.00 178.16 177.28 2df4 h ARG 467 N 0.28 -0.42 -0.07 4.88 2.43 0.42 0.82 114.38 122.72 2df4 h ARG 467 Ca 0.05 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.09 2df4 h ARG 467 Cb 0.58 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2df4 h ARG 467 CO 0.04 -0.21 -0.66 -0.24 -1.51 0.00 0.00 179.97 177.39 2df4 h VAL 468 N -0.55 1.40 -0.57 0.20 3.04 -1.16 -2.76 116.25 115.85 2df4 h VAL 468 Ca -0.04 -2.08 -0.09 0.00 -1.01 0.00 0.00 66.70 63.48 2df4 h VAL 468 Cb 0.41 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 31.73 2df4 h VAL 468 CO 0.07 0.62 0.01 0.00 -1.01 0.00 0.00 177.57 177.26 2df4 h ALA 469 N 1.11 0.94 -0.19 3.17 0.00 -0.46 -2.33 119.26 121.51 2df4 h ALA 469 Ca -0.01 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2df4 h ALA 469 Cb 1.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2df4 h ALA 469 CO 0.10 0.64 -0.30 -0.92 0.00 0.00 0.00 179.25 178.78 2df4 h TYR 470 N 0.90 0.67 0.21 0.00 5.03 -0.81 -1.98 116.97 120.99 2df4 h TYR 470 Ca 0.17 -0.23 0.01 0.00 2.58 0.00 0.00 58.73 61.26 2df4 h TYR 470 Cb 0.51 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.62 2df4 h TYR 470 CO 0.03 0.94 -0.51 1.96 -1.32 0.00 0.00 178.16 179.26 2df4 h GLN 471 N 0.21 -0.78 -0.70 1.82 1.08 -1.37 -1.69 115.11 113.68 2df4 h GLN 471 Ca 0.02 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.39 2df4 h GLN 471 Cb 0.87 0.18 -0.08 0.00 -0.05 0.00 0.00 27.48 28.40 2df4 h GLN 471 CO 0.07 -0.52 0.29 -0.92 -0.95 0.00 0.00 178.83 176.80 2df4 h TYR 472 N -0.81 0.50 -0.85 2.96 5.03 -1.47 0.44 116.97 122.77 2df4 h TYR 472 Ca -0.02 0.03 0.20 0.00 2.58 0.00 0.00 58.73 61.53 2df4 h TYR 472 Cb 0.78 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.89 2df4 h TYR 472 CO -0.40 0.11 0.58 1.49 -1.32 0.00 0.00 178.16 178.62 2df4 h GLU 473 N 0.47 0.31 0.00 1.82 4.81 -0.54 0.14 114.58 121.60 2df4 h GLU 473 Ca 0.37 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 2df4 h GLU 473 Cb 0.49 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2df4 h GLU 473 CO -0.34 0.21 -0.24 1.79 -0.73 0.00 0.00 179.01 179.69 2df4 h THR 474 N 0.32 1.14 0.00 0.32 1.35 -0.07 -2.15 112.91 113.82 2df4 h THR 474 Ca 0.43 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2df4 h THR 474 Cb 1.19 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2df4 h THR 474 CO -0.13 0.23 -0.75 1.56 -0.25 0.00 0.00 175.52 176.18 2df4 h GLN 475 N 0.00 0.00 -1.86 4.72 1.08 -0.76 -3.47 115.11 114.82 2df4 h GLN 475 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2df4 h GLN 475 Cb 0.43 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 27.65 2df4 h GLN 475 CO 0.03 0.00 0.28 -0.47 -0.95 0.00 0.00 178.83 177.73 2df4 s TYR 476 N -3.30 -0.60 -0.09 2.96 6.14 -0.70 -5.14 117.35 116.62 2df4 s TYR 476 Ca 0.02 1.20 -0.29 0.00 0.64 0.00 0.00 57.07 58.64 2df4 s TYR 476 Cb 0.09 0.38 0.09 0.00 0.42 0.00 0.00 41.96 42.95 2df4 s TYR 476 CO 0.76 -0.46 1.29 0.27 0.64 0.00 0.00 175.55 178.05 2df4 n ASN 477 N 1.42 -0.96 -0.31 4.32 0.23 -1.25 -3.95 115.26 114.75 2df4 n ASN 477 Ca -0.15 -1.02 0.08 0.00 -0.53 0.00 0.00 54.58 52.95 2df4 n ASN 477 Cb 0.57 1.44 0.14 0.00 -2.08 0.00 0.00 39.78 39.84 2df4 n ASN 477 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2df4 n LEU 478 N 0.00 2.12 -0.22 -4.53 4.77 -1.26 -4.83 117.00 113.06 2df4 n LEU 478 Ca 0.06 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.03 2df4 n LEU 478 Cb 0.54 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2df4 n LEU 478 CO 0.12 0.82 0.77 0.45 -1.33 0.00 0.00 177.39 178.22 2df4 h HIS 479 N 0.29 -0.24 0.00 -1.77 3.86 -1.95 -0.70 115.15 114.63 2df4 h HIS 479 Ca -0.01 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2df4 h HIS 479 Cb 1.08 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2df4 h HIS 479 CO 0.21 -0.25 0.00 -0.44 0.86 0.00 0.00 177.93 178.31 2df4 h ASP 480 N 0.03 0.00 0.37 2.45 3.32 -1.99 -3.34 116.42 117.26 2df4 h ASP 480 Ca 0.32 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.05 2df4 h ASP 480 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2df4 h ASP 480 CO -0.63 0.00 -1.65 0.58 -1.72 0.00 0.00 179.24 175.83 2df4 h VAL 481 N 0.00 1.02 -0.82 -1.35 2.07 -1.50 -3.36 116.25 112.31 2df4 h VAL 481 Ca 0.00 -2.68 0.19 0.00 0.82 0.00 0.00 66.70 65.03 2df4 h VAL 481 Cb 0.64 2.69 -0.12 0.00 -1.52 0.00 0.00 31.29 32.98 2df4 h VAL 481 CO 0.00 0.80 0.26 1.88 0.02 0.00 0.00 177.57 180.53 2df4 h TYR 482 N 0.07 0.41 -0.59 1.57 0.05 -1.61 0.35 116.97 117.21 2df4 h TYR 482 Ca -0.29 0.04 0.17 0.00 0.05 0.00 0.00 58.73 58.71 2df4 h TYR 482 Cb 2.03 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 39.69 2df4 h TYR 482 CO 0.06 -0.09 0.43 1.49 -1.05 0.00 0.00 178.16 179.01 2df4 h GLU 483 N 0.31 0.00 -0.00 4.88 4.81 -1.77 0.51 114.58 123.31 2df4 h GLU 483 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 2df4 h GLU 483 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2df4 h GLU 483 CO -0.54 0.00 -0.72 1.63 -0.73 0.00 0.00 179.01 178.65 2df4 n LYS 484 N -4.29 0.10 0.00 1.92 5.02 0.11 -5.17 118.16 115.85 2df4 n LYS 484 Ca 0.11 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2df4 n LYS 484 Cb 0.67 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 2df4 n LYS 484 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16