#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1by1 n LYS 2 N 0.00 0.47 0.00 3.17 4.81 -1.26 -1.14 118.16 124.21 1by1 n LYS 2 Ca 0.00 -0.82 0.00 0.00 -0.87 0.00 0.00 58.31 56.62 1by1 n LYS 2 Cb 0.00 -3.43 0.00 0.00 0.02 0.00 0.00 35.03 31.62 1by1 n LYS 2 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1by1 n GLY 3 N 6.62 2.66 2.78 3.14 0.00 -1.26 -5.01 105.19 114.11 1by1 n GLY 3 Ca 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1by1 n GLY 3 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1by1 n PHE 4 N 0.00 -3.76 -2.86 1.61 7.35 -0.29 -4.91 117.46 114.60 1by1 n PHE 4 Ca 0.00 1.62 -0.12 0.00 -0.76 0.00 0.00 57.45 58.20 1by1 n PHE 4 Cb 0.00 -3.94 0.05 0.00 0.35 0.00 0.00 39.48 35.94 1by1 n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1by1 n ASP 5 N 0.44 -1.66 -4.01 -2.13 -0.08 -1.26 -5.01 116.55 102.85 1by1 n ASP 5 Ca 0.03 -3.41 -0.43 0.00 -1.51 0.00 0.00 54.79 49.48 1by1 n ASP 5 Cb 0.15 1.22 0.01 0.00 2.34 0.00 0.00 41.12 44.84 1by1 n ASP 5 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1by1 n THR 6 N 0.71 5.27 -2.66 5.18 -1.04 -1.26 -4.80 114.28 115.68 1by1 n THR 6 Ca 0.12 -5.83 -0.01 0.00 -2.04 0.00 0.00 64.05 56.28 1by1 n THR 6 Cb 0.66 -2.11 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 1by1 n THR 6 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1by1 n THR 7 N 1.48-11.26 -1.76 12.58 -1.04 -1.26 -4.81 114.28 108.21 1by1 n THR 7 Ca 0.27 1.57 -0.43 0.00 -2.04 0.00 0.00 64.05 63.42 1by1 n THR 7 Cb 0.33 -6.82 -0.03 0.00 -1.82 0.00 0.00 70.33 62.00 1by1 n THR 7 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1by1 s ALA 8 N -1.71 2.80 -0.13 2.41 0.00 -1.26 -4.93 121.76 118.95 1by1 s ALA 8 Ca 0.04 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1by1 s ALA 8 Cb -0.01 -4.04 -0.02 0.00 0.00 0.00 0.00 23.12 19.04 1by1 s ALA 8 CO 0.73 -2.70 1.23 -1.50 0.00 0.00 0.00 175.76 173.53 1by1 s ILE 9 N 7.68 4.29 0.00 0.00 1.10 -1.26 -4.63 121.20 128.37 1by1 s ILE 9 Ca 0.92 1.58 0.00 0.00 -0.51 0.00 0.00 60.65 62.64 1by1 s ILE 9 Cb -0.29 -4.02 0.00 0.00 0.15 0.00 0.00 42.46 38.30 1by1 s ILE 9 CO 0.35 -0.09 0.00 -3.20 -2.11 0.00 0.00 174.94 169.89 1by1 n ASN 10 N 6.09 0.00 0.00 4.50 5.15 -1.26 -4.37 115.26 125.37 1by1 n ASN 10 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1by1 n ASN 10 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 1by1 n ASN 10 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1by1 n LYS 11 N 0.00 0.00 -0.93 1.20 4.81 -1.26 -5.16 118.16 116.82 1by1 n LYS 11 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1by1 n LYS 11 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1by1 n LYS 11 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1by1 n SER 12 N 0.00 -5.03 0.07 3.14 7.64 -1.26 -4.11 113.62 114.07 1by1 n SER 12 Ca 0.00 1.07 -0.06 0.00 1.01 0.00 0.00 58.87 60.89 1by1 n SER 12 Cb 0.00 -2.78 0.11 0.00 -1.01 0.00 0.00 64.21 60.53 1by1 n SER 12 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1by1 h TYR 13 N -0.18 0.38 -0.94 1.43 5.03 -2.00 -3.08 116.97 117.62 1by1 h TYR 13 Ca -0.04 -0.14 0.24 0.00 2.58 0.00 0.00 58.73 61.37 1by1 h TYR 13 Cb 0.66 -0.07 -0.13 0.00 1.55 0.00 0.00 36.73 38.74 1by1 h TYR 13 CO 0.04 0.82 0.47 -0.92 -1.32 0.00 0.00 178.16 177.25 1by1 h TYR 14 N 0.23 0.79 0.00 -3.82 3.20 -1.83 0.60 116.97 116.13 1by1 h TYR 14 Ca -0.00 0.04 -0.15 0.00 3.14 0.00 0.00 58.73 61.76 1by1 h TYR 14 Cb 1.10 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 1by1 h TYR 14 CO 0.03 -0.02 -0.69 -0.97 -1.64 0.00 0.00 178.16 174.86 1by1 h ASN 15 N 0.45 0.00 0.38 -2.11 -1.24 -1.69 -3.07 115.58 108.30 1by1 h ASN 15 Ca 0.60 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 57.31 1by1 h ASN 15 Cb 1.17 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.24 1by1 h ASN 15 CO -0.52 0.69 -1.32 0.58 -1.29 0.00 0.00 177.43 175.58 1by1 h VAL 16 N 0.00 1.37 0.25 2.57 2.07 -0.28 -3.16 116.25 119.07 1by1 h VAL 16 Ca -0.01 -2.78 -0.01 0.00 0.82 0.00 0.00 66.70 64.73 1by1 h VAL 16 Cb 1.49 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 34.16 1by1 h VAL 16 CO 0.09 0.82 -0.12 0.58 0.02 0.00 0.00 177.57 178.97 1by1 h VAL 17 N 0.15 0.79 -0.17 2.57 2.07 -0.11 -2.58 116.25 118.96 1by1 h VAL 17 Ca -0.19 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1by1 h VAL 17 Cb 2.01 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1by1 h VAL 17 CO 0.24 0.15 0.20 -0.07 0.02 0.00 0.00 177.57 178.11 1by1 h LEU 18 N -0.74 0.00 0.10 2.57 3.38 -1.68 -0.71 115.31 118.23 1by1 h LEU 18 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1by1 h LEU 18 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1by1 h LEU 18 CO 0.06 0.00 -0.05 1.56 0.09 0.00 0.00 178.44 180.10 1by1 h GLN 19 N 0.00 -0.13 -0.89 1.13 4.20 -1.49 -2.88 115.11 115.06 1by1 h GLN 19 Ca 0.08 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1by1 h GLN 19 Cb 0.49 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1by1 h GLN 19 CO -0.00 0.38 0.53 -0.97 -0.67 0.00 0.00 178.83 178.10 1by1 h ASN 20 N -0.76 1.07 -0.52 1.46 -0.00 -0.94 -1.57 115.58 114.32 1by1 h ASN 20 Ca -0.01 -0.07 0.07 0.00 -0.00 0.00 0.00 56.30 56.29 1by1 h ASN 20 Cb 0.57 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 38.59 1by1 h ASN 20 CO 0.02 0.82 0.35 0.40 -0.00 0.00 0.00 177.43 179.02 1by1 h ILE 21 N 1.22 0.95 -0.65 2.57 1.08 -1.22 0.33 117.51 121.79 1by1 h ILE 21 Ca 0.32 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.63 1by1 h ILE 21 Cb -0.05 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 1by1 h ILE 21 CO -0.06 0.08 0.34 -0.07 -0.69 0.00 0.00 178.15 177.75 1by1 h LEU 22 N 0.42 0.81 -0.25 1.44 4.07 -1.05 0.63 115.31 121.38 1by1 h LEU 22 Ca 0.23 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.06 1by1 h LEU 22 Cb 0.37 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1by1 h LEU 22 CO -0.06 0.67 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.56 1by1 h GLU 23 N 0.91 0.49 -0.04 1.13 5.08 -0.90 0.26 114.58 121.52 1by1 h GLU 23 Ca 0.23 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1by1 h GLU 23 Cb 0.05 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1by1 h GLU 23 CO -0.04 0.73 0.01 1.15 -1.00 0.00 0.00 179.01 179.87 1by1 h THR 24 N 0.23 1.17 -0.30 1.13 2.02 -0.79 -3.01 112.91 113.36 1by1 h THR 24 Ca 0.06 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 1by1 h THR 24 Cb 0.56 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1by1 h THR 24 CO 0.03 0.14 -0.18 -0.33 0.37 0.00 0.00 175.52 175.55 1by1 h GLU 25 N -0.14 0.54 -0.88 6.66 3.07 0.24 -2.46 114.58 121.61 1by1 h GLU 25 Ca 0.01 -0.18 0.17 0.00 -0.50 0.00 0.00 59.36 58.86 1by1 h GLU 25 Cb 0.22 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.01 1by1 h GLU 25 CO -0.00 0.69 0.57 -0.97 -1.40 0.00 0.00 179.01 177.91 1by1 h ASN 26 N 0.48 0.53 0.56 1.42 -0.73 -0.35 1.18 115.58 118.68 1by1 h ASN 26 Ca 0.08 0.04 -0.09 0.00 1.87 0.00 0.00 56.30 58.20 1by1 h ASN 26 Cb 0.59 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1by1 h ASN 26 CO 0.04 0.25 -0.43 -0.33 -0.37 0.00 0.00 177.43 176.58 1by1 h GLU 27 N 0.55 0.00 0.14 6.67 5.08 -1.32 1.20 114.58 126.91 1by1 h GLU 27 Ca 0.45 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.50 1by1 h GLU 27 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1by1 h GLU 27 CO -0.20 0.43 -1.54 -0.92 -1.00 0.00 0.00 179.01 175.79 1by1 h TYR 28 N 0.00 0.55 0.11 4.33 3.20 0.12 -2.97 116.97 122.31 1by1 h TYR 28 Ca -0.00 -0.40 -0.18 0.00 3.14 0.00 0.00 58.73 61.29 1by1 h TYR 28 Cb 0.83 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.09 1by1 h TYR 28 CO 0.00 1.44 -0.82 0.66 -1.64 0.00 0.00 178.16 177.81 1by1 h SER 29 N 0.08 0.37 -0.19 -2.11 4.64 0.13 -3.14 113.55 113.33 1by1 h SER 29 Ca -0.25 -0.93 -0.03 0.00 -0.47 0.00 0.00 61.79 60.11 1by1 h SER 29 Cb 2.04 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 64.00 1by1 h SER 29 CO 0.18 1.38 0.04 0.07 -0.87 0.00 0.00 176.83 177.63 1by1 h LYS 30 N -0.48 0.39 -0.37 4.77 2.10 0.13 -0.95 116.57 122.16 1by1 h LYS 30 Ca -0.16 -0.06 -0.14 0.00 -2.00 0.00 0.00 60.65 58.29 1by1 h LYS 30 Cb 1.56 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.81 1by1 h LYS 30 CO 0.10 0.38 -0.33 0.93 -2.00 0.00 0.00 179.45 178.53 1by1 h GLU 31 N 0.38 0.84 -0.02 0.07 4.39 -1.62 -2.34 114.58 116.28 1by1 h GLU 31 Ca 0.09 -0.40 -0.05 0.00 0.34 0.00 0.00 59.36 59.34 1by1 h GLU 31 Cb 0.19 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1by1 h GLU 31 CO -0.00 1.04 -0.18 -0.07 -1.16 0.00 0.00 179.01 178.64 1by1 h LEU 32 N 0.70 0.20 -0.41 1.33 3.38 -1.38 -3.10 115.31 116.03 1by1 h LEU 32 Ca 0.07 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.39 1by1 h LEU 32 Cb 0.89 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1by1 h LEU 32 CO 0.08 0.87 0.18 0.06 0.09 0.00 0.00 178.44 179.72 1by1 h GLN 33 N -0.44 0.36 -0.38 1.13 3.07 -1.24 1.23 115.11 118.83 1by1 h GLN 33 Ca -0.02 -0.02 0.08 0.00 0.09 0.00 0.00 58.65 58.78 1by1 h GLN 33 Cb 0.87 -0.08 -0.09 0.00 0.08 0.00 0.00 27.48 28.26 1by1 h GLN 33 CO 0.04 0.24 -0.35 1.15 0.09 0.00 0.00 178.83 180.00 1by1 h THR 34 N 0.37 0.21 -0.00 1.86 2.02 -1.50 0.04 112.91 115.90 1by1 h THR 34 Ca 0.18 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.14 1by1 h THR 34 Cb 0.13 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1by1 h THR 34 CO -0.16 0.00 -0.94 0.58 0.37 0.00 0.00 175.52 175.38 1by1 h VAL 35 N -0.28 1.40 0.16 3.16 2.07 -1.38 -3.19 116.25 118.19 1by1 h VAL 35 Ca 0.16 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 1by1 h VAL 35 Cb 0.55 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1by1 h VAL 35 CO -0.54 0.73 -0.09 -0.07 0.02 0.00 0.00 177.57 177.63 1by1 h LEU 36 N 0.23 -0.22 -2.41 2.57 3.38 0.22 1.06 115.31 120.16 1by1 h LEU 36 Ca -0.08 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1by1 h LEU 36 Cb 1.57 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1by1 h LEU 36 CO 0.16 -0.14 0.19 -1.28 0.09 0.00 0.00 178.44 177.46 1by1 h SER 37 N -0.23 0.00 0.08 -0.43 0.87 -1.18 1.21 113.55 113.88 1by1 h SER 37 Ca -0.02 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.17 1by1 h SER 37 Cb 0.18 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 1by1 h SER 37 CO 0.03 0.00 -2.23 0.41 -0.53 0.00 0.00 176.83 174.51 1by1 n THR 38 N -3.12 1.61 -0.08 2.23 -1.04 -1.10 -4.34 114.28 108.45 1by1 n THR 38 Ca -0.02 -0.64 -0.17 0.00 -2.04 0.00 0.00 64.05 61.19 1by1 n THR 38 Cb 0.26 -1.44 -0.06 0.00 -1.82 0.00 0.00 70.33 67.27 1by1 n THR 38 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1by1 n TYR 39 N -3.29 0.00 0.16 -1.42 4.01 0.36 -4.75 117.16 112.23 1by1 n TYR 39 Ca -0.37 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.48 1by1 n TYR 39 Cb 1.03 -0.55 0.08 0.00 -0.31 0.00 0.00 39.34 39.59 1by1 n TYR 39 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1by1 h LEU 40 N -0.56 0.00 -0.79 7.72 4.07 -0.12 -3.33 115.31 122.30 1by1 h LEU 40 Ca -0.39 -0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.75 1by1 h LEU 40 Cb 1.32 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.92 1by1 h LEU 40 CO -0.23 0.00 -0.02 -0.09 -1.08 0.00 0.00 178.44 177.01 1by1 h ARG 41 N 0.00 0.08 0.11 1.13 9.65 0.10 0.92 114.38 126.37 1by1 h ARG 41 Ca 0.00 -0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.56 1by1 h ARG 41 Cb 1.00 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.55 1by1 h ARG 41 CO 0.00 0.05 -1.63 -1.00 2.80 0.00 0.00 179.97 180.19 1by1 h PRO 42 N 0.08 0.24 0.00 0.20 0.13 -1.85 -3.34 132.00 127.46 1by1 h PRO 42 Ca 0.43 -0.40 -0.05 0.00 -0.87 0.00 0.00 66.00 65.11 1by1 h PRO 42 Cb 0.76 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1by1 h PRO 42 CO -0.72 1.08 -0.23 1.25 -0.23 0.00 0.00 178.00 179.15 1by1 h LEU 43 N 0.06 0.00 -1.75 1.56 5.85 -1.53 -3.26 115.31 116.25 1by1 h LEU 43 Ca -0.28 0.00 0.43 0.00 0.84 0.00 0.00 57.88 58.87 1by1 h LEU 43 Cb 2.02 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.00 1by1 h LEU 43 CO 0.14 0.23 1.20 1.56 -0.34 0.00 0.00 178.44 181.23 1by1 h GLN 44 N 0.00 0.00 0.00 1.25 4.20 0.75 1.32 115.11 122.63 1by1 h GLN 44 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1by1 h GLN 44 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1by1 h GLN 44 CO 0.03 0.00 0.00 2.41 -0.67 0.00 0.00 178.83 180.60 1by1 n THR 45 N -3.78 0.00 -2.27 -0.54 -1.04 -1.23 -4.83 114.28 100.59 1by1 n THR 45 Ca 0.33 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.22 1by1 n THR 45 Cb 1.65 -0.54 -0.00 0.00 -1.82 0.00 0.00 70.33 69.61 1by1 n THR 45 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1by1 n SER 46 N -0.90 -3.73 0.00 8.00 3.41 0.45 -4.90 113.62 115.96 1by1 n SER 46 Ca 0.14 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1by1 n SER 46 Cb 0.06 -2.92 0.00 0.00 -0.26 0.00 0.00 64.21 61.09 1by1 n SER 46 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1by1 n GLU 47 N -2.14 0.00 -0.06 4.33 -0.58 -1.19 -0.54 120.64 120.45 1by1 n GLU 47 Ca -0.13 0.66 -0.08 0.00 -0.42 0.00 0.00 57.16 57.20 1by1 n GLU 47 Cb 0.60 -1.03 -0.15 0.00 -0.57 0.00 0.00 31.44 30.29 1by1 n GLU 47 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1by1 n LYS 48 N -2.36 0.67 -0.92 3.49 4.81 -1.26 -4.31 118.16 118.28 1by1 n LYS 48 Ca 0.00 0.07 -0.19 0.00 -0.87 0.00 0.00 58.31 57.32 1by1 n LYS 48 Cb 0.00 -1.61 0.07 0.00 0.02 0.00 0.00 35.03 33.51 1by1 n LYS 48 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1by1 n LEU 49 N -2.80 6.29 -4.77 3.14 4.32 -1.16 -4.95 117.00 117.06 1by1 n LEU 49 Ca -0.25 -3.29 -0.38 0.00 -0.02 0.00 0.00 56.01 52.06 1by1 n LEU 49 Cb 1.07 -0.93 -0.02 0.00 -1.62 0.00 0.00 43.42 41.92 1by1 n LEU 49 CO 0.44 1.14 0.85 -0.55 -1.22 0.00 0.00 177.39 178.04 1by1 s SER 50 N -0.33 6.46 0.00 -1.43 0.15 0.30 -4.24 113.70 114.61 1by1 s SER 50 Ca 0.38 2.36 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1by1 s SER 50 Cb 0.30 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1by1 s SER 50 CO 0.02 -0.72 0.00 -1.20 1.20 0.00 0.00 173.24 172.54 1by1 n SER 51 N -0.00 0.00 -4.70 5.45 7.64 -1.26 -4.61 113.62 116.14 1by1 n SER 51 Ca 0.05 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.62 1by1 n SER 51 Cb 0.46 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.81 1by1 n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1by1 s ALA 52 N -1.00 1.72 0.00 -0.43 0.00 -1.26 -3.37 121.76 117.41 1by1 s ALA 52 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1by1 s ALA 52 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1by1 s ALA 52 CO 0.00 -2.45 0.00 -1.71 0.00 0.00 0.00 175.76 171.60 1by1 n ASN 53 N -4.01 0.00 0.04 0.00 2.85 -1.26 -4.68 115.26 108.19 1by1 n ASN 53 Ca 0.11 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.44 1by1 n ASN 53 Cb 0.52 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.47 1by1 n ASN 53 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1by1 h ILE 54 N 0.00 0.11 -0.08 -1.44 1.08 -1.73 0.40 117.51 115.86 1by1 h ILE 54 Ca 0.00 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1by1 h ILE 54 Cb 0.00 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 33.86 1by1 h ILE 54 CO 0.00 0.00 0.42 -1.28 -0.69 0.00 0.00 178.15 176.60 1by1 h SER 55 N -0.57 0.00 0.00 1.72 0.87 -1.89 1.37 113.55 115.05 1by1 h SER 55 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1by1 h SER 55 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1by1 h SER 55 CO -0.36 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 174.72 1by1 n TYR 56 N -2.99 0.00 0.00 2.24 4.01 0.13 -4.84 117.16 115.71 1by1 n TYR 56 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1by1 n TYR 56 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1by1 n TYR 56 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1by1 n LEU 57 N -0.21 1.44 -0.31 7.72 7.94 -0.50 -4.56 117.00 128.53 1by1 n LEU 57 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1by1 n LEU 57 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1by1 n LEU 57 CO 0.00 0.00 0.43 0.23 -1.11 0.00 0.00 177.39 176.94 1by1 n MET 58 N -0.92 -0.24 -0.65 1.96 2.81 -1.25 -0.24 117.12 118.58 1by1 n MET 58 Ca 0.00 1.20 0.50 0.00 -1.81 0.00 0.00 57.70 57.59 1by1 n MET 58 Cb 0.00 -1.77 0.76 0.00 -0.71 0.00 0.00 33.22 31.50 1by1 n MET 58 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1by1 n GLY 59 N -1.31 -0.94 0.00 3.03 0.00 0.47 0.18 105.19 106.62 1by1 n GLY 59 Ca 0.06 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1by1 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1by1 n ASN 60 N -3.79 0.00 -0.01 1.61 3.02 0.66 -3.94 115.26 112.81 1by1 n ASN 60 Ca 0.41 0.16 -0.11 0.00 -0.03 0.00 0.00 54.58 55.02 1by1 n ASN 60 Cb 1.92 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 40.72 1by1 n ASN 60 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1by1 h LEU 61 N 0.00 0.13 -1.98 3.41 5.85 -1.35 0.72 115.31 122.10 1by1 h LEU 61 Ca 0.00 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1by1 h LEU 61 Cb 0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1by1 h LEU 61 CO 0.00 0.10 0.41 1.05 -0.34 0.00 0.00 178.44 179.66 1by1 h GLU 62 N 0.16 0.02 0.13 1.25 -0.00 0.16 -0.95 114.58 115.36 1by1 h GLU 62 Ca 0.05 -0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.09 1by1 h GLU 62 Cb -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 28.73 1by1 h GLU 62 CO -0.02 0.02 -1.59 0.93 -0.00 0.00 0.00 179.01 178.35 1by1 h GLU 63 N 0.02 0.28 -0.63 1.06 4.39 -1.21 -3.33 114.58 115.17 1by1 h GLU 63 Ca 0.27 -0.49 0.15 0.00 0.34 0.00 0.00 59.36 59.64 1by1 h GLU 63 Cb 1.06 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.86 1by1 h GLU 63 CO -0.01 1.16 0.44 0.82 -1.16 0.00 0.00 179.01 180.25 1by1 h ILE 64 N 0.08 0.75 -0.51 3.13 2.04 0.53 -2.32 117.51 121.21 1by1 h ILE 64 Ca -0.27 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.62 1by1 h ILE 64 Cb 2.04 0.58 -0.10 0.00 -0.74 0.00 0.00 36.82 38.60 1by1 h ILE 64 CO 0.17 0.03 -0.40 0.00 0.00 0.00 0.00 178.15 177.95 1by1 h SER 66 N -0.24 0.36 0.02 0.00 0.87 -1.65 -2.59 113.55 110.32 1by1 h SER 66 Ca 0.18 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1by1 h SER 66 Cb 0.56 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1by1 h SER 66 CO -0.64 0.26 -0.01 0.15 -0.53 0.00 0.00 176.83 176.06 1by1 h PHE 67 N 0.43 -0.03 -1.19 2.24 3.04 0.26 -2.87 116.94 118.83 1by1 h PHE 67 Ca 0.12 -0.00 0.39 0.00 3.98 0.00 0.00 57.97 62.45 1by1 h PHE 67 Cb -0.05 0.01 -0.13 0.00 2.56 0.00 0.00 35.95 38.34 1by1 h PHE 67 CO -0.00 0.47 0.74 0.37 -2.02 0.00 0.00 178.31 177.88 1by1 h GLN 68 N -0.55 0.16 0.11 1.11 4.15 0.23 1.51 115.11 121.84 1by1 h GLN 68 Ca -0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1by1 h GLN 68 Cb 0.52 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1by1 h GLN 68 CO 0.01 0.11 -0.05 1.96 -1.93 0.00 0.00 178.83 178.92 1by1 h GLN 69 N 0.17 -0.14 -0.57 1.69 4.20 -1.53 -3.36 115.11 115.56 1by1 h GLN 69 Ca 0.77 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 59.43 1by1 h GLN 69 Cb 2.21 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 30.00 1by1 h GLN 69 CO -0.47 0.16 0.09 0.00 -0.67 0.00 0.00 178.83 177.93 1by1 h MET 70 N -0.99 0.92 -0.28 1.46 -0.00 -0.99 -3.14 114.93 111.91 1by1 h MET 70 Ca -0.02 -0.23 0.03 0.00 -0.00 0.00 0.00 59.70 59.49 1by1 h MET 70 Cb 0.37 -0.12 -0.04 0.00 -0.00 0.00 0.00 31.60 31.81 1by1 h MET 70 CO 0.03 0.86 -0.19 1.25 -0.00 0.00 0.00 176.91 178.85 1by1 h LEU 71 N 0.87 -0.70 -0.18 -0.10 7.12 0.19 1.02 115.31 123.54 1by1 h LEU 71 Ca 0.18 0.10 -0.08 0.00 0.13 0.00 0.00 57.88 58.21 1by1 h LEU 71 Cb 0.39 0.30 -0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1by1 h LEU 71 CO 0.01 -0.09 -0.21 0.58 -0.13 0.00 0.00 178.44 178.60 1by1 h VAL 72 N -0.04 1.34 -0.05 1.05 2.07 -1.71 -3.35 116.25 115.57 1by1 h VAL 72 Ca 0.05 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 1by1 h VAL 72 Cb 0.15 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1by1 h VAL 72 CO -0.28 0.42 -0.13 0.06 0.02 0.00 0.00 177.57 177.66 1by1 h GLN 73 N 0.11 0.18 -0.90 1.57 3.07 -1.46 -2.53 115.11 115.15 1by1 h GLN 73 Ca 0.02 -0.12 0.16 0.00 0.09 0.00 0.00 58.65 58.81 1by1 h GLN 73 Cb 0.76 0.02 -0.16 0.00 0.08 0.00 0.00 27.48 28.18 1by1 h GLN 73 CO 0.05 0.72 -0.27 0.45 0.09 0.00 0.00 178.83 179.87 1by1 n SER 74 N -4.64 -0.42 -0.02 0.06 2.88 0.35 0.79 113.62 112.63 1by1 n SER 74 Ca -0.08 1.55 -0.12 0.00 -1.33 0.00 0.00 58.87 58.89 1by1 n SER 74 Cb 0.37 -0.43 -0.14 0.00 -0.75 0.00 0.00 64.21 63.27 1by1 n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1by1 n LEU 75 N -5.41 1.30 0.09 2.46 -0.00 -1.25 -3.89 117.00 110.29 1by1 n LEU 75 Ca 0.12 0.36 -0.05 0.00 -0.00 0.00 0.00 56.01 56.45 1by1 n LEU 75 Cb 0.42 -0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 43.67 1by1 n LEU 75 CO -0.11 0.50 0.13 -0.33 -0.00 0.00 0.00 177.39 177.58 1by1 h GLU 76 N 0.02 -0.31 -0.36 1.47 4.39 -0.74 -0.49 114.58 118.57 1by1 h GLU 76 Ca -0.32 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.50 1by1 h GLU 76 Cb 2.02 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.73 1by1 h GLU 76 CO 0.08 -0.20 0.56 0.93 -1.16 0.00 0.00 179.01 179.22 1by1 h GLU 77 N -1.08 0.00 0.00 2.33 5.08 0.18 0.26 114.58 121.35 1by1 h GLU 77 Ca -0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1by1 h GLU 77 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1by1 h GLU 77 CO 0.05 0.00 -0.88 0.00 -1.00 0.00 0.00 179.01 177.18 1by1 h THR 79 N -1.00 0.42 -0.29 0.00 1.35 -0.41 -2.24 112.91 110.75 1by1 h THR 79 Ca -0.18 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.75 1by1 h THR 79 Cb 0.90 0.42 -0.08 0.00 -1.73 0.00 0.00 68.15 67.67 1by1 h THR 79 CO -0.11 0.00 -0.38 0.11 -0.25 0.00 0.00 175.52 174.90 1by1 h LYS 80 N -0.36 -0.34 -7.30 4.72 6.56 -0.71 -3.12 116.57 116.02 1by1 h LYS 80 Ca 0.08 0.02 -0.52 0.00 -1.06 0.00 0.00 60.65 59.17 1by1 h LYS 80 Cb 0.47 0.08 0.16 0.00 -0.57 0.00 0.00 32.23 32.36 1by1 h LYS 80 CO -0.25 -0.23 0.28 -0.51 -2.06 0.00 0.00 179.45 176.68 1by1 s LEU 81 N -10.48 2.95 -0.18 2.94 1.43 -0.84 -4.58 118.68 109.91 1by1 s LEU 81 Ca -0.15 1.95 -0.02 0.00 -1.03 0.00 0.00 54.13 54.89 1by1 s LEU 81 Cb 0.11 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 1by1 s LEU 81 CO 0.66 -2.44 0.78 -2.65 0.23 0.00 0.00 176.35 172.93 1by1 n PRO 82 N -3.79 0.00 0.00 1.29 -0.02 -1.26 -4.78 135.00 126.44 1by1 n PRO 82 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1by1 n PRO 82 Cb 0.53 -0.57 0.00 0.00 -0.02 0.00 0.00 33.50 33.44 1by1 n PRO 82 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1by1 n GLU 83 N 2.75 0.00 -1.25 -0.52 1.02 -1.18 -4.76 120.64 116.70 1by1 n GLU 83 Ca 0.12 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 1by1 n GLU 83 Cb 0.22 -0.28 -0.04 0.00 -0.02 0.00 0.00 31.44 31.32 1by1 n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1by1 n ALA 84 N -0.70 -0.13 0.20 0.62 0.00 -1.26 -4.46 120.51 114.78 1by1 n ALA 84 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1by1 n ALA 84 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1by1 n ALA 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1by1 n GLN 85 N -1.10 0.00 -1.48 0.00 6.02 -1.26 -5.02 117.38 114.54 1by1 n GLN 85 Ca -0.09 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.74 1by1 n GLN 85 Cb 0.49 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.68 1by1 n GLN 85 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1by1 n GLN 86 N -3.35 -1.51 -3.94 -1.09 6.02 -1.26 -4.92 117.38 107.32 1by1 n GLN 86 Ca 0.00 1.06 -0.32 0.00 -0.01 0.00 0.00 57.00 57.73 1by1 n GLN 86 Cb 0.00 -5.42 -0.14 0.00 1.02 0.00 0.00 30.24 25.70 1by1 n GLN 86 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1by1 s ARG 87 N -3.40 1.77 0.31 -1.09 3.52 -1.26 -4.29 118.95 114.50 1by1 s ARG 87 Ca 0.00 -2.09 0.07 0.00 -0.13 0.00 0.00 55.73 53.58 1by1 s ARG 87 Cb 0.00 -3.34 0.80 0.00 -1.56 0.00 0.00 34.95 30.85 1by1 s ARG 87 CO 0.00 -1.02 1.76 0.28 -0.81 0.00 0.00 175.30 175.51 1by1 h VAL 88 N 6.21 0.63 -0.51 7.11 2.07 -1.91 -2.13 116.25 127.72 1by1 h VAL 88 Ca -0.06 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.30 1by1 h VAL 88 Cb 0.99 -0.11 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 1by1 h VAL 88 CO 0.60 0.12 -0.44 1.23 0.02 0.00 0.00 177.57 179.11 1by1 h GLY 89 N 0.68 -0.52 -0.99 2.17 0.00 -1.95 0.26 103.07 102.73 1by1 h GLY 89 Ca 0.61 0.57 0.42 0.00 0.00 0.00 0.00 47.33 48.92 1by1 h GLY 89 CO -0.42 -0.16 0.92 -1.33 0.00 0.00 0.00 176.54 175.54 1by1 h GLY 90 N -0.27 0.89 0.00 4.60 0.00 -1.80 1.06 103.07 107.54 1by1 h GLY 90 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1by1 h GLY 90 CO -0.64 -0.23 -0.08 0.00 0.00 0.00 0.00 176.54 175.58 1by1 h PHE 92 N -0.59 0.00 0.00 0.00 0.04 -0.48 0.65 116.94 116.56 1by1 h PHE 92 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1by1 h PHE 92 Cb 0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1by1 h PHE 92 CO -0.03 0.00 -0.13 -0.07 -0.60 0.00 0.00 178.31 177.47 1by1 h LEU 93 N 0.00 0.00 0.03 1.54 3.38 0.10 0.28 115.31 120.65 1by1 h LEU 93 Ca 0.32 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.06 1by1 h LEU 93 Cb 1.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1by1 h LEU 93 CO -0.00 0.13 -1.11 -1.13 0.09 0.00 0.00 178.44 176.42 1by1 h ASN 94 N 0.00 0.11 0.62 -0.43 -1.24 0.22 -3.27 115.58 111.59 1by1 h ASN 94 Ca -0.00 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.89 1by1 h ASN 94 Cb 0.34 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1by1 h ASN 94 CO 0.02 1.10 -0.73 0.18 -1.29 0.00 0.00 177.43 176.71 1by1 n LEU 95 N -3.38 0.63 -0.17 0.34 4.77 -0.86 -4.22 117.00 114.11 1by1 n LEU 95 Ca -0.03 0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1by1 n LEU 95 Cb 0.97 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.96 1by1 n LEU 95 CO 0.49 0.03 0.86 -0.03 -1.33 0.00 0.00 177.39 177.41 1by1 h MET 96 N 0.00 0.15 -1.03 3.23 4.05 -0.50 0.82 114.93 121.65 1by1 h MET 96 Ca 0.00 -0.01 0.27 0.00 -0.28 0.00 0.00 59.70 59.68 1by1 h MET 96 Cb 0.67 -0.03 -0.12 0.00 -0.80 0.00 0.00 31.60 31.32 1by1 h MET 96 CO 0.00 0.10 0.62 -1.35 0.23 0.00 0.00 176.91 176.51 1by1 h PRO 97 N 0.15 0.46 0.12 0.39 0.11 -1.77 0.27 132.00 131.74 1by1 h PRO 97 Ca 0.27 -0.03 -0.36 0.00 0.11 0.00 0.00 66.00 65.99 1by1 h PRO 97 Cb 0.40 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1by1 h PRO 97 CO -0.41 0.31 -1.99 1.04 -0.21 0.00 0.00 178.00 176.74 1by1 n GLN 98 N -4.84 0.75 -0.07 1.05 6.02 -0.42 -3.74 117.38 116.14 1by1 n GLN 98 Ca 0.28 0.26 -0.07 0.00 -0.01 0.00 0.00 57.00 57.46 1by1 n GLN 98 Cb 0.84 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 1by1 n GLN 98 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1by1 h MET 99 N 0.07 0.09 -0.46 -1.09 4.05 0.16 -2.15 114.93 115.60 1by1 h MET 99 Ca -0.42 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.02 1by1 h MET 99 Cb 2.03 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.78 1by1 h MET 99 CO 0.09 0.06 0.26 1.57 0.23 0.00 0.00 176.91 179.11 1by1 h LYS 100 N 0.09 0.50 -0.54 0.39 5.09 -0.70 0.52 116.57 121.92 1by1 h LYS 100 Ca 0.13 -0.03 0.10 0.00 0.09 0.00 0.00 60.65 60.93 1by1 h LYS 100 Cb 0.16 -0.11 -0.08 0.00 0.10 0.00 0.00 32.23 32.30 1by1 h LYS 100 CO -0.20 0.33 0.11 1.15 -2.09 0.00 0.00 179.45 178.74 1by1 h THR 101 N 0.51 0.69 0.17 0.07 2.02 -1.50 0.73 112.91 115.60 1by1 h THR 101 Ca 0.19 -0.08 -0.25 0.00 0.77 0.00 0.00 66.41 67.04 1by1 h THR 101 Cb 0.05 0.42 0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1by1 h THR 101 CO -0.11 0.04 -1.12 -0.07 0.37 0.00 0.00 175.52 174.64 1by1 h LEU 102 N 0.25 0.56 -0.58 2.58 3.38 -1.11 -2.84 115.31 117.54 1by1 h LEU 102 Ca 0.28 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1by1 h LEU 102 Cb 0.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1by1 h LEU 102 CO -0.36 1.53 0.32 1.88 0.09 0.00 0.00 178.44 181.90 1by1 h TYR 103 N -0.21 0.80 0.68 1.13 -1.99 0.27 -1.21 116.97 116.45 1by1 h TYR 103 Ca -0.21 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.47 1by1 h TYR 103 Cb 1.82 -0.26 0.01 0.00 2.00 0.00 0.00 36.73 40.30 1by1 h TYR 103 CO 0.17 0.58 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.51 1by1 h LEU 104 N 0.79 -0.77 0.15 3.88 3.38 0.36 -2.82 115.31 120.28 1by1 h LEU 104 Ca 0.21 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.21 1by1 h LEU 104 Cb 0.04 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1by1 h LEU 104 CO -0.03 -0.46 -0.42 0.74 0.09 0.00 0.00 178.44 178.36 1by1 h THR 105 N -1.10 0.00 -0.97 0.22 2.02 -1.53 -2.57 112.91 108.98 1by1 h THR 105 Ca -0.09 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.29 1by1 h THR 105 Cb 0.70 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.92 1by1 h THR 105 CO 0.15 0.00 -0.22 0.22 0.37 0.00 0.00 175.52 176.04 1by1 h TYR 106 N -0.64 -0.48 -0.04 3.16 3.20 -1.34 1.35 116.97 122.18 1by1 h TYR 106 Ca -0.01 0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1by1 h TYR 106 Cb 0.62 0.36 -0.05 0.00 1.54 0.00 0.00 36.73 39.21 1by1 h TYR 106 CO -0.39 -0.42 -0.25 0.00 -1.64 0.00 0.00 178.16 175.47 1by1 h ALA 108 N 0.50 1.00 0.00 0.00 0.00 -0.63 -3.11 119.26 117.02 1by1 h ALA 108 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1by1 h ALA 108 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1by1 h ALA 108 CO -0.25 0.00 -0.73 0.09 0.00 0.00 0.00 179.25 178.36 1by1 n ASN 109 N -2.74 0.66 -0.23 0.00 5.03 0.44 -4.30 115.26 114.12 1by1 n ASN 109 Ca 0.04 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.49 1by1 n ASN 109 Cb 0.43 0.35 0.07 0.00 -1.02 0.00 0.00 39.78 39.61 1by1 n ASN 109 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 1by1 h HIS 110 N 0.00 -0.34 -0.61 3.10 2.76 0.56 1.34 115.15 121.96 1by1 h HIS 110 Ca 0.00 0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1by1 h HIS 110 Cb 0.72 0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.89 1by1 h HIS 110 CO 0.00 -0.28 0.34 -1.35 -1.30 0.00 0.00 177.93 175.33 1by1 h PRO 111 N 0.00 0.62 -0.04 5.26 0.11 -1.81 -2.53 132.00 133.61 1by1 h PRO 111 Ca 0.32 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.18 1by1 h PRO 111 Cb 0.49 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.46 1by1 h PRO 111 CO -0.68 0.41 -0.86 0.66 -0.21 0.00 0.00 178.00 177.32 1by1 h SER 112 N 0.64 0.55 -0.49 -2.05 4.64 -1.28 -3.32 113.55 112.23 1by1 h SER 112 Ca 0.27 -0.40 0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1by1 h SER 112 Cb 0.14 -0.16 -0.10 0.00 -0.31 0.00 0.00 62.40 61.96 1by1 h SER 112 CO -0.16 1.18 -0.38 0.00 -0.87 0.00 0.00 176.83 176.61 1by1 h ALA 113 N 0.79 -0.23 -0.71 5.18 0.00 0.21 0.69 119.26 125.19 1by1 h ALA 113 Ca -0.06 0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.17 1by1 h ALA 113 Cb 1.47 0.83 -0.03 0.00 0.00 0.00 0.00 17.79 20.06 1by1 h ALA 113 CO 0.15 -0.77 0.66 0.28 0.00 0.00 0.00 179.25 179.57 1by1 h VAL 114 N -0.24 0.36 0.38 0.00 2.07 -1.64 -1.12 116.25 116.07 1by1 h VAL 114 Ca 0.18 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1by1 h VAL 114 Cb 0.56 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1by1 h VAL 114 CO -0.62 0.00 -0.18 -1.13 0.02 0.00 0.00 177.57 175.66 1by1 h ASN 115 N 0.00 -0.44 -0.81 0.57 -1.24 0.25 0.40 115.58 114.31 1by1 h ASN 115 Ca 0.34 -0.12 0.13 0.00 0.71 0.00 0.00 56.30 57.36 1by1 h ASN 115 Cb 1.65 0.11 -0.09 0.00 0.73 0.00 0.00 38.32 40.72 1by1 h ASN 115 CO -0.00 -0.11 0.41 0.58 -1.29 0.00 0.00 177.43 177.02 1by1 h VAL 116 N -0.79 0.77 0.16 2.57 2.07 -1.05 0.34 116.25 120.32 1by1 h VAL 116 Ca -0.05 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1by1 h VAL 116 Cb 0.53 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1by1 h VAL 116 CO 0.09 0.11 -0.08 -0.07 0.02 0.00 0.00 177.57 177.64 1by1 h LEU 117 N 0.62 -0.19 -1.87 2.57 3.38 -1.48 0.25 115.31 118.59 1by1 h LEU 117 Ca 0.43 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.55 1by1 h LEU 117 Cb 0.56 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1by1 h LEU 117 CO -0.33 0.29 0.55 0.74 0.09 0.00 0.00 178.44 179.77 1by1 h THR 118 N -1.06 0.32 0.00 0.22 2.02 -0.14 1.48 112.91 115.76 1by1 h THR 118 Ca -0.02 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 1by1 h THR 118 Cb 0.17 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1by1 h THR 118 CO 0.04 0.00 -1.40 -0.33 0.37 0.00 0.00 175.52 174.20 1by1 h GLU 119 N 0.00 0.00 -0.48 6.66 4.39 -0.34 -3.34 114.58 121.47 1by1 h GLU 119 Ca 0.24 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.72 1by1 h GLU 119 Cb 1.34 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.86 1by1 h GLU 119 CO -0.00 0.34 0.08 0.72 -1.16 0.00 0.00 179.01 178.99 1by1 n HIS 120 N -2.94 1.50 0.09 4.33 8.25 0.41 -4.64 115.22 122.23 1by1 n HIS 120 Ca -0.10 -1.55 0.02 0.00 -0.26 0.00 0.00 57.72 55.84 1by1 n HIS 120 Cb 0.87 -0.57 0.38 0.00 1.12 0.00 0.00 29.99 31.79 1by1 n HIS 120 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1by1 h SER 121 N 1.18 0.30 0.15 0.41 0.02 0.12 0.11 113.55 115.85 1by1 h SER 121 Ca 0.28 -0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.92 1by1 h SER 121 Cb 1.89 -0.08 0.03 0.00 0.14 0.00 0.00 62.40 64.38 1by1 h SER 121 CO 0.52 0.41 -1.09 -0.33 -1.14 0.00 0.00 176.83 175.19 1by1 h GLU 122 N 0.31 0.47 0.30 3.45 5.08 -1.84 -1.18 114.58 121.16 1by1 h GLU 122 Ca 0.07 -0.71 -0.01 0.00 -1.00 0.00 0.00 59.36 57.70 1by1 h GLU 122 Cb 0.31 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1by1 h GLU 122 CO 0.01 1.32 -0.14 0.93 -1.00 0.00 0.00 179.01 180.13 1by1 h GLU 123 N -0.03 -0.39 -0.20 2.33 5.08 -1.86 -2.53 114.58 116.99 1by1 h GLU 123 Ca -0.18 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1by1 h GLU 123 Cb 1.83 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 1by1 h GLU 123 CO 0.21 -0.23 0.03 -0.07 -1.00 0.00 0.00 179.01 177.95 1by1 h LEU 124 N -1.09 0.26 -2.05 1.33 3.38 -0.96 -1.17 115.31 115.00 1by1 h LEU 124 Ca -0.04 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1by1 h LEU 124 Cb 0.34 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1by1 h LEU 124 CO 0.07 0.29 -0.06 1.23 0.09 0.00 0.00 178.44 180.05 1by1 h GLY 125 N 0.51 0.00 0.12 0.83 0.00 -1.26 -2.55 103.07 100.73 1by1 h GLY 125 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1by1 h GLY 125 CO -0.00 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.34 1by1 h GLU 126 N 0.00 -0.07 -0.45 4.80 5.08 -0.75 -3.29 114.58 119.90 1by1 h GLU 126 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1by1 h GLU 126 Cb 0.30 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1by1 h GLU 126 CO 0.01 0.43 0.29 0.27 -1.00 0.00 0.00 179.01 179.01 1by1 h PHE 127 N -0.96 0.57 -0.38 4.33 -5.15 -1.47 -2.49 116.94 111.39 1by1 h PHE 127 Ca -0.01 0.01 0.11 0.00 -0.20 0.00 0.00 57.97 57.88 1by1 h PHE 127 Cb 0.54 -0.19 -0.02 0.00 0.22 0.00 0.00 35.95 36.50 1by1 h PHE 127 CO 0.13 0.38 0.33 0.00 -2.00 0.00 0.00 178.31 177.14 1by1 h MET 128 N 0.60 0.00 0.00 6.09 -0.00 -1.61 -3.31 114.93 116.70 1by1 h MET 128 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.86 1by1 h MET 128 Cb -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.55 1by1 h MET 128 CO -0.03 0.00 0.00 0.39 -0.00 0.00 0.00 176.91 177.27 1by1 n GLU 129 N -4.08 0.00 -2.23 -0.10 1.02 -0.94 -3.85 120.64 110.46 1by1 n GLU 129 Ca 0.06 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 1by1 n GLU 129 Cb 0.51 -0.09 -0.01 0.00 -0.02 0.00 0.00 31.44 31.83 1by1 n GLU 129 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1by1 n THR 130 N 0.00 -0.19 0.00 2.62 5.66 -1.22 -3.06 114.28 118.08 1by1 n THR 130 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1by1 n THR 130 Cb 0.00 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 1by1 n THR 130 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1by1 n LYS 131 N -2.38 0.00 0.00 1.09 5.02 -1.26 -5.03 118.16 115.60 1by1 n LYS 131 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1by1 n LYS 131 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1by1 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1by1 n GLY 132 N 0.00 -1.86 0.80 0.72 0.00 -1.17 -5.17 105.19 98.50 1by1 n GLY 132 Ca 0.00 0.82 -0.06 0.00 0.00 0.00 0.00 46.02 46.78 1by1 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1by1 n ALA 133 N 0.00 -1.00 -1.00 4.61 0.00 -1.25 -4.99 120.51 116.88 1by1 n ALA 133 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1by1 n ALA 133 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 1by1 n ALA 133 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1by1 n SER 134 N -2.49 0.00 -0.09 0.00 3.41 -1.26 -5.01 113.62 108.18 1by1 n SER 134 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1by1 n SER 134 Cb 0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 1by1 n SER 134 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1by1 n SER 135 N 0.00 2.56 -2.46 4.04 7.64 -1.26 -4.61 113.62 119.54 1by1 n SER 135 Ca 0.00 -0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.68 1by1 n SER 135 Cb 0.00 -0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 1by1 n SER 135 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1by1 n PRO 136 N -3.07 1.76 0.00 1.43 -0.02 -1.26 -4.91 135.00 128.92 1by1 n PRO 136 Ca -0.31 -0.99 0.00 0.00 -2.02 0.00 0.00 63.50 60.18 1by1 n PRO 136 Cb 0.81 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1by1 n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1by1 n GLY 137 N 2.95 1.36 0.00 -1.23 0.00 -1.26 -3.06 105.19 103.95 1by1 n GLY 137 Ca 0.38 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1by1 n GLY 137 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1by1 n ILE 138 N 0.00 0.00 0.37 -0.61 0.00 -1.26 -4.28 119.36 113.57 1by1 n ILE 138 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 62.75 62.75 1by1 n ILE 138 Cb 0.00 0.99 0.22 0.00 0.00 0.00 0.00 39.64 40.85 1by1 n ILE 138 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1by1 n LEU 139 N -1.46 0.00 -0.42 9.51 7.99 -1.21 -3.64 117.00 127.76 1by1 n LEU 139 Ca 0.04 0.49 0.34 0.00 -0.01 0.00 0.00 56.01 56.86 1by1 n LEU 139 Cb 0.30 -0.49 0.56 0.00 -0.11 0.00 0.00 43.42 43.69 1by1 n LEU 139 CO 0.39 -0.31 1.01 0.52 -1.51 0.00 0.00 177.39 177.49 1by1 n VAL 140 N -1.49 -0.14 -0.00 4.08 0.31 -1.17 -1.67 118.33 118.25 1by1 n VAL 140 Ca 0.03 1.34 -0.00 0.00 -0.01 0.00 0.00 64.34 65.69 1by1 n VAL 140 Cb 0.12 -2.20 -0.00 0.00 -0.91 0.00 0.00 33.84 30.85 1by1 n VAL 140 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1by1 h LEU 141 N 0.00 -0.03 -0.22 7.52 3.38 -1.92 -0.40 115.31 123.64 1by1 h LEU 141 Ca 0.70 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.71 1by1 h LEU 141 Cb 2.43 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 43.12 1by1 h LEU 141 CO -0.26 -0.01 -0.53 0.74 0.09 0.00 0.00 178.44 178.47 1by1 h THR 142 N -0.00 0.02 -0.35 0.22 2.02 -1.66 1.27 112.91 114.43 1by1 h THR 142 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1by1 h THR 142 Cb 0.01 0.02 -0.08 0.00 -1.74 0.00 0.00 68.15 66.36 1by1 h THR 142 CO -0.01 0.00 -0.47 0.71 0.37 0.00 0.00 175.52 176.11 1by1 h THR 143 N -0.51 0.07 0.00 3.16 1.35 -1.62 -0.40 112.91 114.96 1by1 h THR 143 Ca 0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.87 1by1 h THR 143 Cb 0.65 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1by1 h THR 143 CO -0.48 0.00 -0.24 1.23 -0.25 0.00 0.00 175.52 175.78 1by1 h GLY 144 N -0.39 0.00 -2.17 5.82 0.00 -0.74 -3.00 103.07 102.58 1by1 h GLY 144 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1by1 h GLY 144 CO -0.55 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.03 1by1 n LEU 145 N -3.34 3.22 -0.03 3.11 4.77 0.43 -3.74 117.00 121.41 1by1 n LEU 145 Ca 0.01 -1.63 0.04 0.00 -0.03 0.00 0.00 56.01 54.40 1by1 n LEU 145 Cb 0.47 -0.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 1by1 n LEU 145 CO 0.34 0.45 -0.85 -1.54 -1.33 0.00 0.00 177.39 174.46 1by1 n SER 146 N 0.36 0.05 -0.00 -1.43 3.41 -0.47 -4.51 113.62 111.02 1by1 n SER 146 Ca 0.14 0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.55 1by1 n SER 146 Cb 0.67 1.60 -0.14 0.00 -0.26 0.00 0.00 64.21 66.08 1by1 n SER 146 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1by1 h LYS 147 N 0.00 0.23 -0.79 4.33 1.79 -1.76 -3.38 116.57 116.98 1by1 h LYS 147 Ca -0.18 -0.39 0.23 0.00 -2.18 0.00 0.00 60.65 58.13 1by1 h LYS 147 Cb 1.41 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 32.17 1by1 h LYS 147 CO 0.01 1.19 1.03 -1.35 -1.08 0.00 0.00 179.45 179.25 1by1 h PRO 148 N -0.22 0.00 -0.21 3.15 0.11 -1.79 1.25 132.00 134.29 1by1 h PRO 148 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1by1 h PRO 148 Cb 1.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.95 1by1 h PRO 148 CO 0.04 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 179.80 1by1 n PHE 149 N -3.25 0.25 0.34 0.65 1.16 -1.26 -4.09 117.46 111.26 1by1 n PHE 149 Ca 0.17 -0.13 0.12 0.00 -1.87 0.00 0.00 57.45 55.75 1by1 n PHE 149 Cb 1.28 0.00 0.21 0.00 -1.61 0.00 0.00 39.48 39.36 1by1 n PHE 149 CO 0.00 0.00 0.00 1.98 -1.87 0.00 0.00 176.76 176.87 1by1 h MET 150 N 3.94 0.00 0.00 3.97 4.05 0.14 -3.23 114.93 123.80 1by1 h MET 150 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1by1 h MET 150 Cb 0.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1by1 h MET 150 CO 0.00 0.00 0.00 0.54 0.23 0.00 0.00 176.91 177.68 1by1 n ARG 151 N -2.77 0.03 0.29 0.39 3.00 -1.25 -3.14 116.66 113.20 1by1 n ARG 151 Ca 0.04 0.23 0.17 0.00 -0.01 0.00 0.00 57.85 58.28 1by1 n ARG 151 Cb 0.50 -1.50 0.83 0.00 0.00 0.00 0.00 32.46 32.29 1by1 n ARG 151 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1by1 h LEU 152 N 0.00 0.00 0.00 0.55 3.38 -1.86 0.64 115.31 118.02 1by1 h LEU 152 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1by1 h LEU 152 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1by1 h LEU 152 CO 0.00 0.00 -0.07 -0.67 0.09 0.00 0.00 178.44 177.79 1by1 n ASP 153 N -3.09 0.70 -0.05 -0.43 2.03 -1.19 -3.66 116.55 110.87 1by1 n ASP 153 Ca -0.00 0.51 0.01 0.00 0.52 0.00 0.00 54.79 55.83 1by1 n ASP 153 Cb 0.40 -0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 40.00 1by1 n ASP 153 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1by1 n LYS 154 N -2.14 0.83 -0.17 -0.67 4.76 0.22 -4.58 118.16 116.40 1by1 n LYS 154 Ca 0.06 -0.10 -0.07 0.00 -2.87 0.00 0.00 58.31 55.33 1by1 n LYS 154 Cb 0.42 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 32.15 1by1 n LYS 154 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1by1 h TYR 155 N 0.00 -1.01 0.00 2.13 0.05 -1.50 0.15 116.97 116.79 1by1 h TYR 155 Ca -0.22 0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1by1 h TYR 155 Cb 1.44 0.52 0.00 0.00 1.01 0.00 0.00 36.73 39.70 1by1 h TYR 155 CO 0.00 -0.40 0.43 -1.35 -1.05 0.00 0.00 178.16 175.79 1by1 h PRO 156 N -0.21 0.00 0.41 4.88 0.11 -1.81 -1.57 132.00 133.81 1by1 h PRO 156 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1by1 h PRO 156 Cb 0.55 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 1by1 h PRO 156 CO -0.64 0.00 -0.23 1.15 -0.21 0.00 0.00 178.00 178.08 1by1 h THR 157 N 0.00 0.53 -0.35 -1.15 2.02 -0.98 0.26 112.91 113.25 1by1 h THR 157 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1by1 h THR 157 Cb 0.85 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1by1 h THR 157 CO 0.00 0.00 -0.07 -0.07 0.37 0.00 0.00 175.52 175.75 1by1 h LEU 158 N -0.59 0.56 -1.74 2.58 3.38 -1.41 -0.82 115.31 117.25 1by1 h LEU 158 Ca -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1by1 h LEU 158 Cb 0.48 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1by1 h LEU 158 CO 0.07 0.67 -0.11 -0.07 0.09 0.00 0.00 178.44 179.09 1by1 h LEU 159 N 0.54 0.00 0.00 1.67 3.38 -1.32 -0.71 115.31 118.87 1by1 h LEU 159 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1by1 h LEU 159 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1by1 h LEU 159 CO 0.02 0.11 -0.51 0.11 0.09 0.00 0.00 178.44 178.26 1by1 h LYS 160 N 0.00 0.00 -0.03 1.13 1.57 0.33 -3.38 116.57 116.19 1by1 h LYS 160 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1by1 h LYS 160 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1by1 h LYS 160 CO 0.01 0.02 -0.17 0.93 -0.57 0.00 0.00 179.45 179.67 1by1 h GLU 161 N -1.00 0.17 -0.95 3.15 5.08 -1.26 -3.23 114.58 116.55 1by1 h GLU 161 Ca -0.01 -0.14 0.24 0.00 -1.00 0.00 0.00 59.36 58.45 1by1 h GLU 161 Cb 0.51 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 1by1 h GLU 161 CO -0.00 0.80 0.64 1.25 -1.00 0.00 0.00 179.01 180.69 1by1 h LEU 162 N -0.42 0.31 -0.83 1.33 6.46 -1.30 0.97 115.31 121.84 1by1 h LEU 162 Ca -0.01 0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 1by1 h LEU 162 Cb 0.83 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1by1 h LEU 162 CO 0.03 0.10 -0.28 -0.33 -0.62 0.00 0.00 178.44 177.35 1by1 h GLU 163 N 0.30 0.56 0.00 1.25 5.08 -1.67 -3.07 114.58 117.03 1by1 h GLU 163 Ca 0.50 -0.23 -0.25 0.00 -1.00 0.00 0.00 59.36 58.38 1by1 h GLU 163 Cb 1.42 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1by1 h GLU 163 CO -0.16 0.78 -1.46 0.07 -1.00 0.00 0.00 179.01 177.24 1by1 h ARG 164 N 0.48 0.00 0.00 2.33 0.11 -0.33 -3.48 114.38 113.49 1by1 h ARG 164 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1by1 h ARG 164 Cb 0.74 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1by1 h ARG 164 CO 0.06 0.57 0.00 1.58 0.10 0.00 0.00 179.97 182.28 1by1 n HIS 165 N -3.10 0.00 -2.37 4.08 -0.00 0.29 -1.68 115.22 112.46 1by1 n HIS 165 Ca -0.11 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.06 1by1 n HIS 165 Cb 0.98 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.85 1by1 n HIS 165 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1by1 n MET 166 N 0.00 0.19 -1.64 1.57 0.00 -1.26 -3.71 117.12 112.26 1by1 n MET 166 Ca 0.00 -1.74 -0.47 0.00 0.00 0.00 0.00 57.70 55.49 1by1 n MET 166 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 33.22 33.25 1by1 n MET 166 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1by1 n GLU 167 N 0.16 1.72 0.00 3.17 -0.58 -0.67 -4.83 120.64 119.61 1by1 n GLU 167 Ca -0.06 0.62 0.09 0.00 -0.42 0.00 0.00 57.16 57.38 1by1 n GLU 167 Cb 0.96 -2.25 0.47 0.00 -0.57 0.00 0.00 31.44 30.05 1by1 n GLU 167 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1by1 n ASP 168 N 2.36 0.00 0.01 1.62 5.68 -1.26 -4.69 116.55 120.27 1by1 n ASP 168 Ca 0.14 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1by1 n ASP 168 Cb 0.28 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1by1 n ASP 168 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1by1 n TYR 169 N -1.27 -1.31 -3.61 2.11 4.19 -1.26 -5.17 117.16 110.84 1by1 n TYR 169 Ca 0.09 0.04 -0.01 0.00 3.31 0.00 0.00 57.90 61.33 1by1 n TYR 169 Cb 0.14 0.34 -0.01 0.00 0.49 0.00 0.00 39.34 40.30 1by1 n TYR 169 CO 0.00 0.00 0.00 -1.01 0.91 0.00 0.00 176.86 176.76 1by1 s HIS 170 N -1.05 -0.06 0.26 2.98 3.76 -1.26 -5.10 115.29 114.82 1by1 s HIS 170 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 1by1 s HIS 170 Cb 0.00 0.52 0.00 0.00 1.11 0.00 0.00 32.58 34.21 1by1 s HIS 170 CO 0.00 -0.16 0.00 2.41 -0.85 0.00 0.00 174.74 176.14 1by1 n THR 171 N -0.26 0.00 -3.41 1.30 -1.04 -1.26 -5.07 114.28 104.54 1by1 n THR 171 Ca -0.03 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.78 1by1 n THR 171 Cb 0.60 -0.42 -0.10 0.00 -1.82 0.00 0.00 70.33 68.59 1by1 n THR 171 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1by1 s ASP 172 N -4.79 1.96 0.14 8.00 1.01 -1.26 -4.99 116.67 116.74 1by1 s ASP 172 Ca 0.00 -1.33 0.03 0.00 0.71 0.00 0.00 52.55 51.97 1by1 s ASP 172 Cb 0.00 0.27 -0.09 0.00 1.01 0.00 0.00 42.92 44.11 1by1 s ASP 172 CO 0.00 -0.34 1.33 0.08 0.21 0.00 0.00 175.17 176.45 1by1 h ARG 173 N 7.68 0.13 -0.80 8.23 -0.00 -2.01 -3.23 114.38 124.37 1by1 h ARG 173 Ca -0.05 -0.17 0.23 0.00 -0.00 0.00 0.00 59.98 59.99 1by1 h ARG 173 Cb 1.04 0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 31.04 1by1 h ARG 173 CO 0.29 0.99 0.80 -0.56 -0.00 0.00 0.00 179.97 181.49 1by1 h GLN 174 N 0.06 0.00 0.00 0.08 -0.00 -2.02 1.45 115.11 114.68 1by1 h GLN 174 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.53 1by1 h GLN 174 Cb 1.64 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.10 1by1 h GLN 174 CO 0.14 0.00 -0.34 -0.44 -0.00 0.00 0.00 178.83 178.19 1by1 h ASP 175 N 0.00 0.00 0.04 0.06 5.19 -2.00 -3.11 116.42 116.59 1by1 h ASP 175 Ca 0.38 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.64 1by1 h ASP 175 Cb 1.98 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.48 1by1 h ASP 175 CO -0.00 0.34 -0.50 0.40 -3.12 0.00 0.00 179.24 176.36 1by1 h ILE 176 N 0.00 1.32 -0.01 0.35 1.08 0.18 -2.92 117.51 117.51 1by1 h ILE 176 Ca -0.00 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1by1 h ILE 176 Cb 0.99 1.71 -0.00 0.00 -3.07 0.00 0.00 36.82 36.45 1by1 h ILE 176 CO 0.04 0.53 0.13 1.56 -0.69 0.00 0.00 178.15 179.73 1by1 h GLN 177 N 0.41 0.00 -0.04 2.37 4.20 -1.47 -0.35 115.11 120.23 1by1 h GLN 177 Ca 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1by1 h GLN 177 Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1by1 h GLN 177 CO 0.09 0.00 -0.05 -0.22 -0.67 0.00 0.00 178.83 177.98 1by1 h LYS 178 N 0.00 0.10 0.09 1.46 3.64 -1.65 -2.62 116.57 117.59 1by1 h LYS 178 Ca 0.01 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.12 1by1 h LYS 178 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1by1 h LYS 178 CO -0.00 0.59 -1.02 0.77 -2.27 0.00 0.00 179.45 177.52 1by1 h SER 179 N -0.38 0.31 0.02 4.20 0.02 -1.51 -3.14 113.55 113.07 1by1 h SER 179 Ca 0.00 -0.87 -0.04 0.00 -0.84 0.00 0.00 61.79 60.05 1by1 h SER 179 Cb 0.58 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1by1 h SER 179 CO 0.01 1.45 -0.11 0.00 -1.14 0.00 0.00 176.83 177.04 1by1 h MET 180 N -0.49 0.21 0.00 3.45 -0.00 -1.25 -2.02 114.93 114.82 1by1 h MET 180 Ca -0.22 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.39 1by1 h MET 180 Cb 1.57 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 33.13 1by1 h MET 180 CO 0.05 0.33 -0.34 0.00 -0.00 0.00 0.00 176.91 176.95 1by1 h ALA 181 N 1.69 0.81 0.00 -3.00 0.00 -1.60 -3.02 119.26 114.14 1by1 h ALA 181 Ca 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1by1 h ALA 181 Cb 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1by1 h ALA 181 CO 0.02 0.31 -0.17 0.00 0.00 0.00 0.00 179.25 179.41 1by1 h ALA 182 N 1.76 0.03 -0.11 0.00 0.00 -1.39 -2.39 119.26 117.17 1by1 h ALA 182 Ca -0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1by1 h ALA 182 Cb 1.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1by1 h ALA 182 CO 0.03 0.10 -0.21 0.74 0.00 0.00 0.00 179.25 179.91 1by1 h PHE 183 N -1.00 0.19 0.22 0.00 0.04 -1.52 -3.08 116.94 111.79 1by1 h PHE 183 Ca -0.04 -0.03 -0.34 0.00 2.80 0.00 0.00 57.97 60.36 1by1 h PHE 183 Cb 0.95 -0.05 0.02 0.00 2.20 0.00 0.00 35.95 39.07 1by1 h PHE 183 CO 0.23 0.38 -1.58 -0.22 -0.60 0.00 0.00 178.31 176.52 1by1 h LYS 184 N 0.17 0.46 -0.45 1.51 3.11 -1.67 -3.29 116.57 116.42 1by1 h LYS 184 Ca 0.03 -0.79 0.13 0.00 -2.81 0.00 0.00 60.65 57.21 1by1 h LYS 184 Cb 0.47 0.29 -0.02 0.00 -1.00 0.00 0.00 32.23 31.97 1by1 h LYS 184 CO 0.03 1.37 0.58 -0.91 -2.81 0.00 0.00 179.45 177.71 1by1 h ASN 185 N 0.13 0.00 0.02 4.20 -0.26 -1.33 -2.24 115.58 116.09 1by1 h ASN 185 Ca -0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1by1 h ASN 185 Cb 2.13 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 39.39 1by1 h ASN 185 CO 0.23 0.00 -0.05 -0.07 -1.06 0.00 0.00 177.43 176.49 1by1 h LEU 186 N 0.00 -0.14 -1.12 1.61 3.38 -1.62 -1.36 115.31 116.05 1by1 h LEU 186 Ca 0.21 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 1by1 h LEU 186 Cb 1.36 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1by1 h LEU 186 CO -0.00 -0.05 -0.37 -1.28 0.09 0.00 0.00 178.44 176.83 1by1 h SER 187 N -0.07 0.00 0.09 -0.43 0.87 -1.71 -2.76 113.55 109.54 1by1 h SER 187 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1by1 h SER 187 Cb 0.07 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1by1 h SER 187 CO -0.02 0.37 -0.06 0.00 -0.53 0.00 0.00 176.83 176.59 1by1 h ALA 188 N 1.63 1.67 0.16 6.23 0.00 -1.19 -2.57 119.26 125.20 1by1 h ALA 188 Ca -0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1by1 h ALA 188 Cb 0.79 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1by1 h ALA 188 CO 0.05 0.07 -1.83 1.96 0.00 0.00 0.00 179.25 179.50 1by1 h GLN 189 N 0.00 0.34 -0.53 0.00 1.08 -0.97 -3.34 115.11 111.68 1by1 h GLN 189 Ca -0.00 -0.58 0.15 0.00 -1.45 0.00 0.00 58.65 56.78 1by1 h GLN 189 Cb 0.12 0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1by1 h GLN 189 CO 0.01 1.26 0.38 0.00 -0.95 0.00 0.00 178.83 179.53 1by1 h GLN 191 N 0.00 0.18 0.00 0.00 4.20 -1.63 0.38 115.11 118.25 1by1 h GLN 191 Ca 0.25 -0.01 -0.37 0.00 0.06 0.00 0.00 58.65 58.58 1by1 h GLN 191 Cb 1.02 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.69 1by1 h GLN 191 CO -0.00 0.12 -2.33 0.39 -0.67 0.00 0.00 178.83 176.34 1by1 n GLU 192 N -4.49 0.54 -0.33 1.46 1.02 -0.55 -4.54 120.64 113.77 1by1 n GLU 192 Ca 0.30 0.18 0.04 0.00 -0.02 0.00 0.00 57.16 57.65 1by1 n GLU 192 Cb 1.19 -1.41 0.19 0.00 -0.02 0.00 0.00 31.44 31.39 1by1 n GLU 192 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1by1 h VAL 193 N -0.41 0.95 -0.35 2.62 2.07 -0.96 0.53 116.25 120.70 1by1 h VAL 193 Ca -0.56 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 66.69 1by1 h VAL 193 Cb 1.67 -0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.29 1by1 h VAL 193 CO -0.22 0.17 -0.48 0.03 0.02 0.00 0.00 177.57 177.09 1by1 h ARG 194 N 0.94 -0.38 -0.30 1.57 3.08 -0.49 -2.67 114.38 116.13 1by1 h ARG 194 Ca 0.43 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.51 1by1 h ARG 194 Cb 0.36 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1by1 h ARG 194 CO -0.24 -0.25 0.00 1.63 -1.07 0.00 0.00 179.97 180.04 1by1 n LYS 195 N -5.41 3.15 -1.53 0.04 5.02 -1.12 -4.82 118.16 113.48 1by1 n LYS 195 Ca -0.02 -2.89 -0.20 0.00 -2.02 0.00 0.00 58.31 53.18 1by1 n LYS 195 Cb 0.35 -1.90 -0.13 0.00 -0.02 0.00 0.00 35.03 33.34 1by1 n LYS 195 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1by1 n ARG 196 N -0.39 0.36 -1.51 1.97 0.63 0.19 -0.98 116.66 116.92 1by1 n ARG 196 Ca 0.22 -0.41 -0.18 0.00 -0.92 0.00 0.00 57.85 56.57 1by1 n ARG 196 Cb 0.93 -2.54 -0.08 0.00 0.45 0.00 0.00 32.46 31.23 1by1 n ARG 196 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1by1 n LYS 197 N 7.59 -1.54 -0.00 -0.14 4.81 -1.26 -4.82 118.16 122.79 1by1 n LYS 197 Ca 0.55 1.12 -0.22 0.00 -0.87 0.00 0.00 58.31 58.90 1by1 n LYS 197 Cb 0.31 -5.53 -0.14 0.00 0.02 0.00 0.00 35.03 29.69 1by1 n LYS 197 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1by1 n GLU 198 N -1.86 0.74 0.27 1.64 -0.58 -0.16 -3.52 120.64 117.18 1by1 n GLU 198 Ca -0.18 0.30 0.12 0.00 -0.42 0.00 0.00 57.16 56.98 1by1 n GLU 198 Cb 0.66 -1.72 0.78 0.00 -0.57 0.00 0.00 31.44 30.59 1by1 n GLU 198 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1by1 h LEU 199 N -0.04 0.00 0.00 -4.62 5.85 -1.88 -3.30 115.31 111.33 1by1 h LEU 199 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1by1 h LEU 199 Cb 1.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1by1 h LEU 199 CO 0.06 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.37 1by1 n GLU 200 N -4.19 0.00 -3.29 1.25 2.13 -1.26 -5.02 120.64 110.26 1by1 n GLU 200 Ca -0.03 0.09 -0.13 0.00 0.66 0.00 0.00 57.16 57.75 1by1 n GLU 200 Cb 0.10 -0.53 0.01 0.00 0.27 0.00 0.00 31.44 31.29 1by1 n GLU 200 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1by1 n LEU 201 N -0.95 -3.25 0.00 4.31 0.00 -1.23 -4.81 117.00 111.07 1by1 n LEU 201 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 56.01 56.24 1by1 n LEU 201 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 43.42 41.83 1by1 n LEU 201 CO 0.00 -0.98 0.00 1.67 0.00 0.00 0.00 177.39 178.08 1by1 n GLN 202 N 0.82 0.00 0.01 1.96 -0.06 -1.26 -4.92 117.38 113.93 1by1 n GLN 202 Ca -0.03 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.09 1by1 n GLN 202 Cb 0.56 0.00 0.14 0.00 -4.06 0.00 0.00 30.24 26.88 1by1 n GLN 202 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1by1 n ILE 203 N -1.19 0.07 -0.23 1.69 2.08 -1.26 -4.20 119.36 116.33 1by1 n ILE 203 Ca 0.00 -0.08 0.31 0.00 0.56 0.00 0.00 62.75 63.55 1by1 n ILE 203 Cb 0.00 0.31 0.66 0.00 -0.75 0.00 0.00 39.64 39.86 1by1 n ILE 203 CO 0.00 0.00 0.00 0.17 0.56 0.00 0.00 176.55 177.28 1by1 h LEU 204 N 0.00 0.00 -0.93 1.39 -0.00 -1.96 -3.46 115.31 110.35 1by1 h LEU 204 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1by1 h LEU 204 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1by1 h LEU 204 CO 0.00 0.00 -0.90 0.41 -0.00 0.00 0.00 178.44 177.95 1by1 n THR 205 N -3.70 -4.82 -0.53 0.15 -1.04 -1.26 -4.91 114.28 98.16 1by1 n THR 205 Ca 0.23 2.19 -0.29 0.00 -2.04 0.00 0.00 64.05 64.13 1by1 n THR 205 Cb 1.28 -3.09 0.23 0.00 -1.82 0.00 0.00 70.33 66.93 1by1 n THR 205 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1by1 n GLU 206 N -1.19 -2.19 -1.08 -2.82 4.71 -1.26 -4.92 120.64 111.88 1by1 n GLU 206 Ca 0.00 -0.61 -0.17 0.00 -0.01 0.00 0.00 57.16 56.37 1by1 n GLU 206 Cb 0.08 -2.05 0.19 0.00 -1.01 0.00 0.00 31.44 28.64 1by1 n GLU 206 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1by1 n ALA 207 N -4.82 5.16 -0.89 0.62 0.00 -1.26 -5.01 120.51 114.31 1by1 n ALA 207 Ca 0.03 -3.00 -0.28 0.00 0.00 0.00 0.00 53.44 50.18 1by1 n ALA 207 Cb 0.56 -1.19 0.21 0.00 0.00 0.00 0.00 19.45 19.03 1by1 n ALA 207 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1by1 s ILE 208 N -3.30 2.05 0.00 0.00 -5.25 -1.26 -5.36 121.20 108.08 1by1 s ILE 208 Ca 0.53 0.02 0.00 0.00 -0.99 0.00 0.00 60.65 60.20 1by1 s ILE 208 Cb 0.45 -2.32 0.00 0.00 2.95 0.00 0.00 42.46 43.55 1by1 s ILE 208 CO 0.07 -0.02 0.00 -1.14 -1.79 0.00 0.00 174.94 172.06