#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1e h LEU 39 N 0.00 0.00 -0.24 0.99 5.85 -2.02 0.17 115.31 120.06 1s1e h LEU 39 Ca 0.00 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.52 1s1e h LEU 39 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1s1e h LEU 39 CO 0.00 0.53 -0.91 -0.08 -0.34 0.00 0.00 178.44 177.65 1s1e h GLU 40 N 0.00 0.20 0.03 1.25 4.81 -2.00 0.28 114.58 119.15 1s1e h GLU 40 Ca -0.01 -0.23 -0.22 0.00 -0.13 0.00 0.00 59.36 58.78 1s1e h GLU 40 Cb 0.99 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1s1e h GLU 40 CO 0.07 0.98 -0.97 0.37 -0.73 0.00 0.00 179.01 178.72 1s1e h GLN 41 N 0.11 0.19 -0.25 1.92 5.75 -1.94 -2.63 115.11 118.26 1s1e h GLN 41 Ca -0.05 -0.25 -0.10 0.00 -0.15 0.00 0.00 58.65 58.10 1s1e h GLN 41 Cb 1.55 0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.17 1s1e h GLN 41 CO 0.14 1.02 -0.23 1.25 -2.65 0.00 0.00 178.83 178.36 1s1e h LEU 42 N 0.09 0.64 -1.13 -2.39 6.46 -0.58 -2.76 115.31 115.65 1s1e h LEU 42 Ca -0.06 -0.46 -0.05 0.00 -0.12 0.00 0.00 57.88 57.19 1s1e h LEU 42 Cb 1.64 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 41.37 1s1e h LEU 42 CO 0.15 0.97 0.09 -0.08 -0.62 0.00 0.00 178.44 178.95 1s1e h GLU 43 N 0.32 0.70 0.00 1.25 4.81 -0.96 -2.25 114.58 118.45 1s1e h GLU 43 Ca 0.04 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1s1e h GLU 43 Cb 0.78 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1s1e h GLU 43 CO 0.06 0.66 -0.27 0.00 -0.73 0.00 0.00 179.01 178.73 1s1e h ALA 44 N 1.42 1.11 0.00 2.92 0.00 -1.37 -3.20 119.26 120.14 1s1e h ALA 44 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s1e h ALA 44 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1s1e h ALA 44 CO 0.00 0.33 -0.89 1.04 0.00 0.00 0.00 179.25 179.74 1s1e n GLN 45 N -3.57 0.08 -4.66 0.00 6.02 -0.90 -4.99 117.38 109.37 1s1e n GLN 45 Ca -0.01 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.67 1s1e n GLN 45 Cb 0.41 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 30.07 1s1e n GLN 45 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1s1e s THR 46 N -3.06 0.85 -0.29 5.09 -4.23 -0.91 -5.04 115.64 108.04 1s1e s THR 46 Ca 0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1s1e s THR 46 Cb 0.16 -2.18 0.41 0.00 1.34 0.00 0.00 72.50 72.23 1s1e s THR 46 CO 0.80 0.00 1.53 0.59 -0.54 0.00 0.00 174.62 177.00 1s1e n ASN 47 N -1.34 3.48 -4.35 3.99 5.03 -1.26 -4.89 115.26 115.92 1s1e n ASN 47 Ca -0.14 -2.94 -0.28 0.00 0.87 0.00 0.00 54.58 52.09 1s1e n ASN 47 Cb 0.66 -0.70 -0.13 0.00 -1.02 0.00 0.00 39.78 38.59 1s1e n ASN 47 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1s1e s PHE 48 N -1.99 2.21 0.79 3.10 0.08 -1.26 -5.04 117.98 115.86 1s1e s PHE 48 Ca 0.34 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 1s1e s PHE 48 Cb 0.29 -1.24 0.11 0.00 -0.57 0.00 0.00 43.02 41.60 1s1e s PHE 48 CO 0.07 0.25 1.11 0.95 -0.10 0.00 0.00 175.22 177.50 1s1e s THR 49 N -0.99 2.14 0.19 0.64 -4.23 -1.26 -4.69 115.64 107.45 1s1e s THR 49 Ca 0.12 -0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.33 1s1e s THR 49 Cb -0.10 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 70.92 1s1e s THR 49 CO 0.04 0.00 1.79 0.50 -0.54 0.00 0.00 174.62 176.41 1s1e h LYS 50 N -0.92 1.01 0.00 3.99 3.64 -1.96 -1.90 116.57 120.44 1s1e h LYS 50 Ca -0.44 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 58.73 1s1e h LYS 50 Cb 1.29 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1s1e h LYS 50 CO 0.54 0.79 -0.32 0.07 -2.27 0.00 0.00 179.45 178.26 1s1e h ARG 51 N 0.98 0.00 -0.06 1.90 0.11 -2.00 -2.80 114.38 112.51 1s1e h ARG 51 Ca 0.24 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.14 1s1e h ARG 51 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1s1e h ARG 51 CO -0.03 0.32 -0.74 0.93 0.10 0.00 0.00 179.97 180.55 1s1e h GLU 52 N 0.00 0.34 -0.21 0.08 5.08 -1.88 -2.62 114.58 115.37 1s1e h GLU 52 Ca -0.00 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1s1e h GLU 52 Cb 1.12 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1s1e h GLU 52 CO 0.04 0.93 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.71 1s1e h LEU 53 N 0.23 0.36 -0.44 1.33 3.38 -1.18 -1.23 115.31 117.75 1s1e h LEU 53 Ca -0.03 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 1s1e h LEU 53 Cb 1.31 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1s1e h LEU 53 CO 0.12 0.57 -0.62 1.56 0.09 0.00 0.00 178.44 180.17 1s1e h GLN 54 N 0.33 0.55 -0.14 1.13 1.08 -1.36 -0.19 115.11 116.51 1s1e h GLN 54 Ca 0.06 -0.38 -0.09 0.00 -1.45 0.00 0.00 58.65 56.78 1s1e h GLN 54 Cb 0.55 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1s1e h GLN 54 CO 0.04 1.00 -0.33 0.28 -0.95 0.00 0.00 178.83 178.87 1s1e h VAL 55 N 0.41 1.28 -0.17 -0.54 2.07 -1.10 -1.28 116.25 116.92 1s1e h VAL 55 Ca -0.01 -1.33 -0.22 0.00 0.82 0.00 0.00 66.70 65.97 1s1e h VAL 55 Cb 1.18 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1s1e h VAL 55 CO 0.12 0.40 -0.75 -0.07 0.02 0.00 0.00 177.57 177.29 1s1e h LEU 56 N 0.25 0.94 -0.11 2.57 3.38 -0.99 -2.73 115.31 118.62 1s1e h LEU 56 Ca 0.03 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1s1e h LEU 56 Cb 0.70 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1s1e h LEU 56 CO 0.05 1.40 0.05 0.22 0.09 0.00 0.00 178.44 180.25 1s1e h TYR 57 N 0.55 0.16 -0.55 1.13 3.20 -0.82 -0.72 116.97 119.91 1s1e h TYR 57 Ca -0.04 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.92 1s1e h TYR 57 Cb 1.38 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 39.52 1s1e h TYR 57 CO 0.08 0.24 0.09 0.07 -1.64 0.00 0.00 178.16 177.00 1s1e h ARG 58 N 0.03 0.21 -0.05 1.82 0.11 -1.25 0.57 114.38 115.82 1s1e h ARG 58 Ca 0.04 -0.01 -0.09 0.00 0.10 0.00 0.00 59.98 60.01 1s1e h ARG 58 Cb 0.15 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1s1e h ARG 58 CO -0.00 0.14 -0.39 0.78 0.10 0.00 0.00 179.97 180.59 1s1e h GLY 59 N 0.21 0.11 0.72 0.08 0.00 -1.29 -2.04 103.07 100.86 1s1e h GLY 59 Ca 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1s1e h GLY 59 CO -0.40 0.09 -0.07 -2.75 0.00 0.00 0.00 176.54 173.41 1s1e h PHE 60 N 0.08 -0.18 -0.33 5.60 3.57 0.59 -2.74 116.94 123.54 1s1e h PHE 60 Ca 0.01 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1s1e h PHE 60 Cb 0.73 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1s1e h PHE 60 CO 0.01 0.11 -0.10 0.87 -2.23 0.00 0.00 178.31 176.96 1s1e h LYS 61 N -0.48 0.56 -0.85 1.11 1.79 -1.07 0.39 116.57 118.03 1s1e h LYS 61 Ca -0.02 -0.16 0.13 0.00 -2.18 0.00 0.00 60.65 58.42 1s1e h LYS 61 Cb 0.37 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 1s1e h LYS 61 CO 0.03 0.66 0.55 -0.97 -1.08 0.00 0.00 179.45 178.65 1s1e h ASN 62 N 0.52 0.62 0.15 0.86 -0.73 -1.25 -1.92 115.58 113.82 1s1e h ASN 62 Ca 0.10 0.03 -0.10 0.00 1.87 0.00 0.00 56.30 58.19 1s1e h ASN 62 Cb 0.49 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.97 1s1e h ASN 62 CO 0.03 0.33 -1.96 1.21 -0.37 0.00 0.00 177.43 176.67 1s1e n GLU 63 N -4.54 0.66 -3.55 6.67 4.07 -0.93 -4.72 120.64 118.31 1s1e n GLU 63 Ca 0.16 -0.09 -0.27 0.00 -0.06 0.00 0.00 57.16 56.90 1s1e n GLU 63 Cb 0.44 -1.57 -0.11 0.00 -0.06 0.00 0.00 31.44 30.15 1s1e n GLU 63 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s1e h PRO 65 N 5.46 0.49 0.00 0.00 0.11 -1.66 0.89 132.00 137.29 1s1e h PRO 65 Ca 0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1s1e h PRO 65 Cb 0.85 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1s1e h PRO 65 CO 0.50 0.33 0.00 -1.13 -0.21 0.00 0.00 178.00 177.48 1s1e n SER 66 N -4.92 0.00 0.00 -2.05 3.41 -1.26 -4.87 113.62 103.92 1s1e n SER 66 Ca 0.28 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 1s1e n SER 66 Cb 0.82 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1s1e n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s1e n GLY 67 N 0.46 1.25 3.16 5.00 0.00 0.31 -5.03 105.19 110.33 1s1e n GLY 67 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1s1e n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1e s VAL 68 N -2.59 0.64 -0.14 1.61 -7.23 -1.26 -4.21 120.40 107.22 1s1e s VAL 68 Ca 0.00 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1s1e s VAL 68 Cb 0.00 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.32 1s1e s VAL 68 CO 0.00 -0.87 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.05 1s1e s VAL 69 N -3.56 2.44 0.57 1.32 1.01 -0.53 -4.86 120.40 116.78 1s1e s VAL 69 Ca 0.10 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1s1e s VAL 69 Cb 0.05 -2.00 0.07 0.00 0.00 0.00 0.00 36.38 34.50 1s1e s VAL 69 CO -0.05 0.53 0.78 0.54 0.00 0.00 0.00 175.10 176.90 1s1e s ASN 70 N 0.73 5.08 0.11 3.32 2.20 -1.26 -1.17 114.94 123.94 1s1e s ASN 70 Ca -0.08 -0.55 -0.23 0.00 -0.94 0.00 0.00 52.86 51.06 1s1e s ASN 70 Cb -0.16 -0.12 -0.08 0.00 -2.00 0.00 0.00 41.25 38.89 1s1e s ASN 70 CO 0.01 -1.30 1.70 -0.08 -2.94 0.00 0.00 177.10 174.49 1s1e h GLU 71 N 0.12 -0.12 -0.41 3.55 4.81 -1.99 -1.68 114.58 118.85 1s1e h GLU 71 Ca -0.35 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.95 1s1e h GLU 71 Cb 1.28 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 1s1e h GLU 71 CO 0.43 -0.08 0.08 0.93 -0.73 0.00 0.00 179.01 179.64 1s1e h GLU 72 N -0.13 0.21 -0.75 1.92 4.39 -1.98 0.53 114.58 118.77 1s1e h GLU 72 Ca 0.05 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.77 1s1e h GLU 72 Cb 0.19 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 1s1e h GLU 72 CO -0.11 0.14 0.46 1.15 -1.16 0.00 0.00 179.01 179.49 1s1e h THR 73 N 0.21 1.07 -0.66 1.13 2.02 -1.93 0.23 112.91 114.99 1s1e h THR 73 Ca 0.20 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1s1e h THR 73 Cb 0.24 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1s1e h THR 73 CO -0.26 0.16 0.09 0.15 0.37 0.00 0.00 175.52 176.03 1s1e h PHE 74 N 0.89 1.19 -0.20 3.16 3.04 -0.18 -1.14 116.94 123.69 1s1e h PHE 74 Ca 0.31 -0.17 -0.11 0.00 3.98 0.00 0.00 57.97 61.98 1s1e h PHE 74 Cb 0.08 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 1s1e h PHE 74 CO -0.04 1.00 -0.36 0.87 -2.02 0.00 0.00 178.31 177.76 1s1e h LYS 75 N 1.03 0.43 0.21 1.11 1.57 0.80 -1.36 116.57 120.36 1s1e h LYS 75 Ca 0.20 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1s1e h LYS 75 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1s1e h LYS 75 CO 0.02 0.73 -0.10 1.96 -0.57 0.00 0.00 179.45 181.49 1s1e h GLN 76 N 0.36 -0.27 -0.35 3.15 4.20 -0.22 -0.14 115.11 121.84 1s1e h GLN 76 Ca 0.04 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1s1e h GLN 76 Cb 0.81 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1s1e h GLN 76 CO 0.07 0.03 0.15 0.82 -0.67 0.00 0.00 178.83 179.23 1s1e h ILE 77 N -0.58 0.94 -0.53 2.54 2.04 -1.18 -2.84 117.51 117.91 1s1e h ILE 77 Ca -0.03 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 1s1e h ILE 77 Cb 0.42 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1s1e h ILE 77 CO 0.05 0.06 -0.11 0.22 0.00 0.00 0.00 178.15 178.37 1s1e h TYR 78 N 0.32 1.10 -0.98 1.37 3.20 -1.25 -3.14 116.97 117.60 1s1e h TYR 78 Ca 0.15 -0.22 0.32 0.00 3.14 0.00 0.00 58.73 62.12 1s1e h TYR 78 Cb 0.10 -0.27 -0.15 0.00 1.54 0.00 0.00 36.73 37.94 1s1e h TYR 78 CO -0.12 1.03 0.47 0.00 -1.64 0.00 0.00 178.16 177.89 1s1e h ALA 79 N 0.98 1.81 -0.17 1.82 0.00 -0.75 0.27 119.26 123.22 1s1e h ALA 79 Ca 0.14 0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1s1e h ALA 79 Cb 0.66 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1s1e h ALA 79 CO 0.05 -0.61 0.14 1.96 0.00 0.00 0.00 179.25 180.79 1s1e h GLN 80 N 0.24 0.00 0.00 0.00 4.20 -1.59 -0.01 115.11 117.94 1s1e h GLN 80 Ca 0.71 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.42 1s1e h GLN 80 Cb 1.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.40 1s1e h GLN 80 CO -0.66 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 178.69 1s1e n PHE 81 N -4.28 0.00 -3.15 2.96 3.72 0.09 -4.08 117.46 112.72 1s1e n PHE 81 Ca 0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.22 1s1e n PHE 81 Cb 0.27 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 1s1e n PHE 81 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1s1e n PHE 82 N -1.44 -1.70 0.54 1.38 3.72 -0.02 -4.99 117.46 114.95 1s1e n PHE 82 Ca 0.05 -2.78 0.12 0.00 -0.05 0.00 0.00 57.45 54.79 1s1e n PHE 82 Cb 0.16 0.54 0.45 0.00 -0.94 0.00 0.00 39.48 39.69 1s1e n PHE 82 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1s1e n PRO 83 N 2.46 0.18 -0.25 -1.08 -0.04 -1.24 -3.17 135.00 131.85 1s1e n PRO 83 Ca 0.24 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 1s1e n PRO 83 Cb 0.52 -1.77 0.26 0.00 -0.04 0.00 0.00 33.50 32.47 1s1e n PRO 83 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1s1e n HIS 84 N -2.09 0.66 -3.23 0.54 8.25 -1.26 -4.97 115.22 113.12 1s1e n HIS 84 Ca 0.04 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1s1e n HIS 84 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1s1e n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s1e n GLY 85 N 1.39 2.97 3.08 -1.41 0.00 -1.19 -4.20 105.19 105.83 1s1e n GLY 85 Ca 0.19 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 1s1e n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s1e s ASP 86 N -0.58 5.05 0.00 1.61 2.15 0.08 -4.93 116.67 120.06 1s1e s ASP 86 Ca 0.00 -2.09 0.19 0.00 0.43 0.00 0.00 52.55 51.07 1s1e s ASP 86 Cb 0.00 -1.75 0.53 0.00 -0.30 0.00 0.00 42.92 41.41 1s1e s ASP 86 CO 0.00 -0.47 1.43 0.00 -0.17 0.00 0.00 175.17 175.95 1s1e n ALA 87 N 4.44 2.45 -0.29 3.66 0.00 -1.26 -2.64 120.51 126.87 1s1e n ALA 87 Ca 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 1s1e n ALA 87 Cb 0.42 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 18.95 1s1e n ALA 87 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1s1e h SER 88 N 3.00 0.96 -0.48 0.00 4.64 -1.92 0.29 113.55 120.04 1s1e h SER 88 Ca 0.00 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1s1e h SER 88 Cb 0.67 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1s1e h SER 88 CO 0.00 0.75 -0.20 0.71 -0.87 0.00 0.00 176.83 177.22 1s1e h THR 89 N 1.09 1.27 -0.35 2.95 1.35 -1.90 -0.41 112.91 116.91 1s1e h THR 89 Ca 0.29 -1.36 -0.10 0.00 -0.55 0.00 0.00 66.41 64.68 1s1e h THR 89 Cb -0.03 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1s1e h THR 89 CO -0.05 0.47 -0.17 0.22 -0.25 0.00 0.00 175.52 175.74 1s1e h TYR 90 N 0.84 0.85 -0.12 4.73 3.20 -1.72 -1.91 116.97 122.83 1s1e h TYR 90 Ca 0.11 -0.21 0.03 0.00 3.14 0.00 0.00 58.73 61.81 1s1e h TYR 90 Cb 0.78 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1s1e h TYR 90 CO 0.05 0.93 0.09 0.00 -1.64 0.00 0.00 178.16 177.59 1s1e h ALA 91 N 0.79 2.04 -0.21 1.82 0.00 -0.30 0.11 119.26 123.51 1s1e h ALA 91 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s1e h ALA 91 Cb 0.71 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1s1e h ALA 91 CO 0.05 -0.15 0.08 1.25 0.00 0.00 0.00 179.25 180.48 1s1e h HIS 92 N 0.00 0.33 -0.32 0.00 -0.00 -0.27 0.15 115.15 115.03 1s1e h HIS 92 Ca 0.06 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.28 1s1e h HIS 92 Cb 0.23 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1s1e h HIS 92 CO 0.00 0.38 -0.30 1.88 -0.00 0.00 0.00 177.93 179.89 1s1e h TYR 93 N 0.18 0.78 -0.78 5.26 0.05 -0.78 -2.70 116.97 118.98 1s1e h TYR 93 Ca 0.07 -0.20 -0.05 0.00 0.05 0.00 0.00 58.73 58.60 1s1e h TYR 93 Cb 0.20 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 1s1e h TYR 93 CO -0.01 0.90 0.29 1.25 -1.05 0.00 0.00 178.16 179.54 1s1e h LEU 94 N 0.58 1.09 0.21 3.88 5.85 -0.64 -2.60 115.31 123.69 1s1e h LEU 94 Ca 0.07 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1s1e h LEU 94 Cb 0.80 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1s1e h LEU 94 CO 0.07 0.98 -0.12 0.15 -0.34 0.00 0.00 178.44 179.18 1s1e h PHE 95 N 1.14 -0.30 -1.00 1.25 3.57 -0.46 -2.37 116.94 118.78 1s1e h PHE 95 Ca 0.26 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.83 1s1e h PHE 95 Cb 0.24 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1s1e h PHE 95 CO 0.02 -0.19 0.64 -0.91 -2.23 0.00 0.00 178.31 175.64 1s1e h ASN 96 N -0.31 1.00 0.22 0.41 -0.26 -1.37 0.20 115.58 115.46 1s1e h ASN 96 Ca -0.02 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.69 1s1e h ASN 96 Cb 0.25 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1s1e h ASN 96 CO 0.03 0.61 -0.21 0.00 -1.06 0.00 0.00 177.43 176.80 1s1e h ALA 97 N 1.48 1.63 0.17 -0.83 0.00 -1.24 -2.15 119.26 118.31 1s1e h ALA 97 Ca 0.45 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.87 1s1e h ALA 97 Cb 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.04 1s1e h ALA 97 CO -0.20 0.26 -1.31 0.74 0.00 0.00 0.00 179.25 178.73 1s1e h PHE 98 N 0.00 0.73 -0.11 0.00 -1.00 -0.54 -3.37 116.94 112.65 1s1e h PHE 98 Ca -0.00 -0.52 -0.71 0.00 2.81 0.00 0.00 57.97 59.55 1s1e h PHE 98 Cb 0.37 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 39.85 1s1e h PHE 98 CO 0.00 1.39 3.05 -3.47 -1.61 0.00 0.00 178.31 177.67 1s1e n ASP 99 N -3.64 3.97 -0.15 2.17 2.03 0.51 -4.74 116.55 116.70 1s1e n ASP 99 Ca -0.12 -2.86 -0.02 0.00 0.52 0.00 0.00 54.79 52.31 1s1e n ASP 99 Cb 1.04 -1.65 0.19 0.00 -0.72 0.00 0.00 41.12 39.98 1s1e n ASP 99 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1s1e h THR 100 N 4.03 1.22 0.00 5.18 1.35 -1.74 -1.24 112.91 121.70 1s1e h THR 100 Ca 0.56 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1s1e h THR 100 Cb 0.65 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1s1e h THR 100 CO 1.86 0.28 0.00 0.35 -0.25 0.00 0.00 175.52 177.77 1s1e n THR 101 N -4.30 0.17 -3.41 6.82 -2.24 -1.26 -4.87 114.28 105.19 1s1e n THR 101 Ca 0.05 0.04 -0.25 0.00 -2.27 0.00 0.00 64.05 61.62 1s1e n THR 101 Cb 0.19 -0.69 0.01 0.00 -2.10 0.00 0.00 70.33 67.74 1s1e n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s1e n GLN 102 N -1.15 -4.26 0.00 -0.78 1.13 -0.47 -4.86 117.38 107.00 1s1e n GLN 102 Ca 0.13 0.61 0.12 0.00 -1.94 0.00 0.00 57.00 55.93 1s1e n GLN 102 Cb 0.12 -5.40 0.28 0.00 0.11 0.00 0.00 30.24 25.35 1s1e n GLN 102 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1s1e n THR 103 N -4.25 0.00 -0.96 5.09 5.66 -1.26 -4.92 114.28 113.64 1s1e n THR 103 Ca -0.03 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1s1e n THR 103 Cb 0.56 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.91 1s1e n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1s1e n GLY 104 N 1.37 0.74 2.73 1.09 0.00 -1.26 -4.98 105.19 104.88 1s1e n GLY 104 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1s1e n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s1e s SER 105 N -2.60 2.46 -0.41 1.61 0.15 -1.26 -4.43 113.70 109.21 1s1e s SER 105 Ca 0.00 -0.58 -0.24 0.00 0.70 0.00 0.00 55.95 55.83 1s1e s SER 105 Cb 0.00 -0.51 0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1s1e s SER 105 CO 0.00 -0.28 0.86 -0.69 1.20 0.00 0.00 173.24 174.33 1s1e s VAL 106 N 1.92 4.61 0.89 4.45 1.01 -0.32 -4.89 120.40 128.08 1s1e s VAL 106 Ca 0.01 0.85 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 1s1e s VAL 106 Cb -0.16 -4.32 0.14 0.00 0.00 0.00 0.00 36.38 32.05 1s1e s VAL 106 CO -0.07 -0.61 1.25 -0.54 0.00 0.00 0.00 175.10 175.12 1s1e s LYS 107 N 3.40 1.24 0.14 2.72 1.02 -1.26 -1.45 119.74 125.55 1s1e s LYS 107 Ca 0.34 -0.14 -0.17 0.00 0.02 0.00 0.00 55.97 56.02 1s1e s LYS 107 Cb -0.12 -1.89 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1s1e s LYS 107 CO 0.21 -2.05 1.78 0.35 -0.92 0.00 0.00 175.35 174.72 1s1e h PHE 108 N -1.38 0.45 -0.81 3.18 3.57 -1.97 -2.14 116.94 117.85 1s1e h PHE 108 Ca -0.45 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1s1e h PHE 108 Cb 1.28 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 1s1e h PHE 108 CO -0.44 0.31 0.51 1.05 -2.23 0.00 0.00 178.31 177.51 1s1e h GLU 109 N 0.46 1.09 -0.66 1.11 4.11 -1.96 0.27 114.58 119.00 1s1e h GLU 109 Ca 0.13 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1s1e h GLU 109 Cb -0.02 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 1s1e h GLU 109 CO -0.03 0.75 0.43 -0.44 0.07 0.00 0.00 179.01 179.79 1s1e h ASP 110 N 1.11 0.77 -0.20 3.06 3.32 -1.81 0.32 116.42 122.98 1s1e h ASP 110 Ca 0.29 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 1s1e h ASP 110 Cb -0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1s1e h ASP 110 CO -0.06 0.57 0.13 0.15 -1.72 0.00 0.00 179.24 178.31 1s1e h PHE 111 N 0.90 0.27 -0.28 4.55 3.57 -0.63 -1.82 116.94 123.50 1s1e h PHE 111 Ca 0.24 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.56 1s1e h PHE 111 Cb -0.08 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1s1e h PHE 111 CO -0.02 0.20 -0.54 -0.39 -2.23 0.00 0.00 178.31 175.33 1s1e h VAL 112 N 0.25 1.28 -0.91 1.41 -1.51 -0.59 -1.91 116.25 114.28 1s1e h VAL 112 Ca 0.07 -1.73 0.06 0.00 -1.23 0.00 0.00 66.70 63.88 1s1e h VAL 112 Cb 0.01 1.64 -0.06 0.00 -2.13 0.00 0.00 31.29 30.74 1s1e h VAL 112 CO -0.01 0.56 0.58 0.74 -1.23 0.00 0.00 177.57 178.20 1s1e h THR 113 N 0.63 1.06 0.01 7.19 2.02 -0.25 0.52 112.91 124.08 1s1e h THR 113 Ca 0.02 -0.36 -0.21 0.00 0.77 0.00 0.00 66.41 66.63 1s1e h THR 113 Cb 1.13 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1s1e h THR 113 CO 0.12 0.19 -0.92 0.00 0.37 0.00 0.00 175.52 175.27 1s1e h ALA 114 N 1.42 0.44 -0.26 6.16 0.00 -1.25 -3.21 119.26 122.56 1s1e h ALA 114 Ca 0.40 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1s1e h ALA 114 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1s1e h ALA 114 CO -0.17 0.89 -0.44 -0.07 0.00 0.00 0.00 179.25 179.45 1s1e h LEU 115 N 0.15 0.71 -0.74 0.00 3.38 -0.60 -0.59 115.31 117.62 1s1e h LEU 115 Ca -0.06 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 57.69 1s1e h LEU 115 Cb 1.56 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 1s1e h LEU 115 CO 0.15 1.05 0.34 -1.28 0.09 0.00 0.00 178.44 178.79 1s1e h SER 116 N 0.53 0.40 0.23 -0.43 0.87 0.01 0.53 113.55 115.70 1s1e h SER 116 Ca 0.04 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1s1e h SER 116 Cb 0.98 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1s1e h SER 116 CO 0.09 0.21 -0.11 0.40 -0.53 0.00 0.00 176.83 176.88 1s1e h ILE 117 N 0.55 0.26 -0.86 2.23 2.04 -1.54 -2.25 117.51 117.94 1s1e h ILE 117 Ca 0.38 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1s1e h ILE 117 Cb 0.48 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 1s1e h ILE 117 CO -0.32 0.07 0.56 -0.07 0.00 0.00 0.00 178.15 178.39 1s1e h LEU 118 N -1.04 0.86 0.02 1.44 4.07 -0.95 0.15 115.31 119.86 1s1e h LEU 118 Ca -0.03 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 1s1e h LEU 118 Cb 0.36 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1s1e h LEU 118 CO 0.05 0.56 -0.58 0.25 -1.08 0.00 0.00 178.44 177.64 1s1e h LEU 119 N 0.98 0.06 -3.41 1.67 5.85 -0.07 -3.43 115.31 116.96 1s1e h LEU 119 Ca 0.36 -0.82 -0.17 0.00 0.84 0.00 0.00 57.88 58.09 1s1e h LEU 119 Cb 0.17 -0.02 -0.27 0.00 0.37 0.00 0.00 40.66 40.91 1s1e h LEU 119 CO -0.13 1.24 -0.86 -2.11 -0.34 0.00 0.00 178.44 176.24 1s1e n ARG 120 N -4.47 1.09 -2.37 1.25 1.85 -0.87 -5.07 116.66 108.07 1s1e n ARG 120 Ca -0.19 -2.83 -0.25 0.00 -1.00 0.00 0.00 57.85 53.58 1s1e n ARG 120 Cb 0.60 -0.95 0.09 0.00 -1.05 0.00 0.00 32.46 31.15 1s1e n ARG 120 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1s1e s GLY 121 N -2.79 1.75 0.60 2.89 0.00 0.53 -4.89 107.32 105.41 1s1e s GLY 121 Ca 0.36 -1.30 -0.09 0.00 0.00 0.00 0.00 44.72 43.69 1s1e s GLY 121 CO -0.10 -0.81 0.97 -0.51 0.00 0.00 0.00 173.10 172.65 1s1e s THR 122 N -3.21 4.32 0.28 0.90 -4.23 -1.26 -4.80 115.64 107.64 1s1e s THR 122 Ca 0.63 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 1s1e s THR 122 Cb -0.08 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 70.33 1s1e s THR 122 CO 0.45 -0.86 1.85 -0.37 -0.54 0.00 0.00 174.62 175.14 1s1e h VAL 123 N -0.25 0.96 -0.41 2.29 -1.51 -1.98 0.39 116.25 115.75 1s1e h VAL 123 Ca -0.45 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1s1e h VAL 123 Cb 1.22 -0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.18 1s1e h VAL 123 CO 0.62 0.19 0.27 0.45 -1.23 0.00 0.00 177.57 177.87 1s1e h HIS 124 N 1.04 0.52 -0.41 5.19 3.86 -1.99 0.91 115.15 124.27 1s1e h HIS 124 Ca 0.48 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.59 1s1e h HIS 124 Cb 0.41 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1s1e h HIS 124 CO -0.00 0.33 -0.17 0.93 0.86 0.00 0.00 177.93 179.89 1s1e h GLU 125 N 0.55 0.84 -0.22 2.45 5.08 -1.45 -2.26 114.58 119.57 1s1e h GLU 125 Ca 0.15 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1s1e h GLU 125 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1s1e h GLU 125 CO -0.03 0.99 0.09 0.87 -1.00 0.00 0.00 179.01 179.93 1s1e h LYS 126 N 0.66 0.33 -0.17 2.33 1.57 -0.01 -2.17 116.57 119.12 1s1e h LYS 126 Ca 0.10 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1s1e h LYS 126 Cb 0.72 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1s1e h LYS 126 CO 0.05 0.38 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.21 1s1e h LEU 127 N 0.21 0.23 -0.74 2.94 3.38 -0.82 -1.27 115.31 119.24 1s1e h LEU 127 Ca 0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1s1e h LEU 127 Cb 0.17 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1s1e h LEU 127 CO -0.01 0.30 -0.48 0.03 0.09 0.00 0.00 178.44 178.38 1s1e h ARG 128 N 0.25 0.36 -0.33 1.13 3.08 -1.14 0.45 114.38 118.18 1s1e h ARG 128 Ca 0.06 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1s1e h ARG 128 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1s1e h ARG 128 CO 0.01 0.77 -0.01 2.35 -1.07 0.00 0.00 179.97 182.02 1s1e h TRP 129 N 0.29 0.65 -0.38 3.04 7.01 -0.67 -1.74 115.95 124.16 1s1e h TRP 129 Ca 0.02 -0.12 -0.06 0.00 2.11 0.00 0.00 58.89 60.84 1s1e h TRP 129 Cb 0.95 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.83 1s1e h TRP 129 CO 0.03 0.72 0.01 1.15 -2.79 0.00 0.00 178.44 177.56 1s1e h THR 130 N 0.40 1.26 -0.40 2.65 2.02 -1.06 -1.97 112.91 115.81 1s1e h THR 130 Ca 0.09 -0.97 0.07 0.00 0.77 0.00 0.00 66.41 66.37 1s1e h THR 130 Cb 0.47 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1s1e h THR 130 CO 0.02 0.32 0.06 0.15 0.37 0.00 0.00 175.52 176.44 1s1e h PHE 131 N 0.48 0.09 -0.34 3.16 3.57 -0.80 -1.00 116.94 122.10 1s1e h PHE 131 Ca 0.11 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1s1e h PHE 131 Cb 0.45 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1s1e h PHE 131 CO 0.03 -0.01 0.23 -0.91 -2.23 0.00 0.00 178.31 175.42 1s1e h ASN 132 N 0.18 0.32 -0.15 0.41 -0.26 -1.08 0.23 115.58 115.23 1s1e h ASN 132 Ca 0.20 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1s1e h ASN 132 Cb 0.25 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1s1e h ASN 132 CO -0.28 0.22 -0.00 0.25 -1.06 0.00 0.00 177.43 176.57 1s1e h LEU 133 N 0.37 0.27 -1.05 1.61 5.85 -0.43 -3.08 115.31 118.84 1s1e h LEU 133 Ca 0.14 -0.31 -0.09 0.00 0.84 0.00 0.00 57.88 58.45 1s1e h LEU 133 Cb 0.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1s1e h LEU 133 CO -0.03 0.51 -0.38 1.88 -0.34 0.00 0.00 178.44 180.09 1s1e h TYR 134 N 0.01 0.21 -0.16 1.25 -1.99 -0.78 -3.32 116.97 112.18 1s1e h TYR 134 Ca 0.04 -0.05 -0.69 0.00 2.00 0.00 0.00 58.73 60.03 1s1e h TYR 134 Cb 0.38 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 1s1e h TYR 134 CO 0.03 0.54 2.84 -3.47 -0.00 0.00 0.00 178.16 178.11 1s1e n ASP 135 N -4.06 3.91 -0.22 3.88 2.03 0.02 -4.72 116.55 117.38 1s1e n ASP 135 Ca -0.01 -2.84 0.03 0.00 0.52 0.00 0.00 54.79 52.49 1s1e n ASP 135 Cb 0.44 -1.62 0.14 0.00 -0.72 0.00 0.00 41.12 39.36 1s1e n ASP 135 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1s1e h ILE 136 N 4.37 0.61 -0.15 5.18 2.04 -1.76 -0.89 117.51 126.92 1s1e h ILE 136 Ca 0.53 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.29 1s1e h ILE 136 Cb 0.69 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1s1e h ILE 136 CO 1.81 0.05 0.00 -0.46 0.00 0.00 0.00 178.15 179.55 1s1e n ASN 137 N -5.11 1.11 -3.93 1.72 2.04 -1.26 -4.90 115.26 104.93 1s1e n ASN 137 Ca 0.11 -1.75 -0.29 0.00 -0.44 0.00 0.00 54.58 52.20 1s1e n ASN 137 Cb 0.37 -0.10 0.02 0.00 -2.53 0.00 0.00 39.78 37.54 1s1e n ASN 137 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1s1e n LYS 138 N 0.01 -4.99 -0.04 -3.83 4.01 -0.34 -4.85 118.16 108.12 1s1e n LYS 138 Ca 0.12 0.56 -0.13 0.00 -0.51 0.00 0.00 58.31 58.35 1s1e n LYS 138 Cb 0.22 -5.33 -0.01 0.00 -0.51 0.00 0.00 35.03 29.39 1s1e n LYS 138 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1s1e h ASP 139 N -1.97 0.86 0.00 4.39 1.82 -1.91 -3.46 116.42 116.15 1s1e h ASP 139 Ca -0.59 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 55.58 1s1e h ASP 139 Cb 1.37 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1s1e h ASP 139 CO 0.67 1.25 0.00 0.61 -1.61 0.00 0.00 179.24 180.16 1s1e n GLY 140 N 0.38 0.78 3.14 -0.78 0.00 -1.26 -5.07 105.19 102.38 1s1e n GLY 140 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1s1e n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s1e s TYR 141 N -2.00 0.75 -0.15 1.61 2.02 -1.26 -4.06 117.35 114.25 1s1e s TYR 141 Ca 0.00 -1.17 0.01 0.00 -0.37 0.00 0.00 57.07 55.55 1s1e s TYR 141 Cb 0.00 -0.44 0.01 0.00 -0.40 0.00 0.00 41.96 41.13 1s1e s TYR 141 CO 0.00 -0.49 -0.19 0.42 -1.57 0.00 0.00 175.55 173.72 1s1e s ILE 142 N -4.01 2.34 0.44 2.71 1.01 0.02 -4.70 121.20 119.00 1s1e s ILE 142 Ca 0.19 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 60.04 1s1e s ILE 142 Cb 0.07 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1s1e s ILE 142 CO -0.02 0.53 0.53 0.54 0.00 0.00 0.00 174.94 176.52 1s1e s ASN 143 N 0.90 5.39 0.25 3.58 2.20 -1.26 -1.57 114.94 124.42 1s1e s ASN 143 Ca -0.04 -0.59 -0.06 0.00 -0.94 0.00 0.00 52.86 51.23 1s1e s ASN 143 Cb -0.15 -0.51 0.30 0.00 -2.00 0.00 0.00 41.25 38.89 1s1e s ASN 143 CO -0.03 -0.79 1.90 0.11 -2.94 0.00 0.00 177.10 175.34 1s1e h LYS 144 N 0.72 1.16 -0.68 3.55 1.79 -1.99 -1.47 116.57 119.66 1s1e h LYS 144 Ca -0.39 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.05 1s1e h LYS 144 Cb 1.28 -0.26 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 1s1e h LYS 144 CO 0.49 0.77 0.40 1.49 -1.08 0.00 0.00 179.45 181.52 1s1e h GLU 145 N 1.20 0.74 -0.41 3.15 4.81 -1.96 0.13 114.58 122.24 1s1e h GLU 145 Ca 0.37 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.41 1s1e h GLU 145 Cb -0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1s1e h GLU 145 CO -0.12 0.49 -0.33 0.93 -0.73 0.00 0.00 179.01 179.25 1s1e h GLU 146 N 0.76 0.93 -0.29 1.92 5.08 -1.80 -2.27 114.58 118.92 1s1e h GLU 146 Ca 0.29 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1s1e h GLU 146 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1s1e h GLU 146 CO -0.14 1.12 0.18 1.98 -1.00 0.00 0.00 179.01 181.14 1s1e h MET 147 N 0.77 0.35 0.13 2.33 4.05 -0.66 -2.55 114.93 119.35 1s1e h MET 147 Ca 0.08 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1s1e h MET 147 Cb 0.92 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1s1e h MET 147 CO 0.09 0.23 -0.26 0.52 0.23 0.00 0.00 176.91 177.72 1s1e h MET 148 N 0.36 -0.46 -0.22 0.39 2.86 -0.65 0.33 114.93 117.54 1s1e h MET 148 Ca 0.11 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1s1e h MET 148 Cb -0.01 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 1s1e h MET 148 CO -0.05 -0.30 -0.42 -0.44 1.06 0.00 0.00 176.91 176.76 1s1e h ASP 149 N -0.47 -1.34 -0.25 1.22 3.32 -1.23 0.62 116.42 118.28 1s1e h ASP 149 Ca 0.03 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1s1e h ASP 149 Cb 0.49 0.56 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1s1e h ASP 149 CO -0.14 -0.41 0.16 0.40 -1.72 0.00 0.00 179.24 177.53 1s1e h ILE 150 N -0.44 1.05 -0.42 0.35 1.08 -1.32 -1.58 117.51 116.22 1s1e h ILE 150 Ca 0.09 -0.11 -0.09 0.00 -0.39 0.00 0.00 64.86 64.37 1s1e h ILE 150 Cb 0.61 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 35.04 1s1e h ILE 150 CO -0.45 0.06 -0.09 0.58 -0.69 0.00 0.00 178.15 177.56 1s1e h VAL 151 N 0.32 1.25 -0.35 1.67 2.07 -0.45 -0.78 116.25 119.98 1s1e h VAL 151 Ca 0.09 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1s1e h VAL 151 Cb -0.02 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1s1e h VAL 151 CO -0.03 0.38 -0.03 0.50 0.02 0.00 0.00 177.57 178.41 1s1e h LYS 152 N 0.68 0.57 -0.56 1.57 1.63 0.44 -0.86 116.57 120.05 1s1e h LYS 152 Ca 0.12 -0.14 -0.10 0.00 -0.85 0.00 0.00 60.65 59.68 1s1e h LYS 152 Cb 0.55 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1s1e h LYS 152 CO 0.03 0.61 -0.06 0.00 -3.45 0.00 0.00 179.45 176.58 1s1e h ALA 153 N 1.44 0.83 -0.42 5.00 0.00 -0.36 -2.39 119.26 123.37 1s1e h ALA 153 Ca 0.11 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1s1e h ALA 153 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s1e h ALA 153 CO 0.02 0.66 -0.05 0.82 0.00 0.00 0.00 179.25 180.70 1s1e h ILE 154 N 0.92 1.27 -0.44 0.00 2.04 -0.59 -1.57 117.51 119.14 1s1e h ILE 154 Ca 0.15 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 1s1e h ILE 154 Cb 0.62 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1s1e h ILE 154 CO 0.04 0.38 0.27 1.88 0.00 0.00 0.00 178.15 180.72 1s1e h TYR 155 N 0.60 0.58 -0.50 1.37 -1.99 -1.11 -0.75 116.97 115.16 1s1e h TYR 155 Ca 0.11 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 1s1e h TYR 155 Cb 0.57 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 1s1e h TYR 155 CO 0.04 0.40 0.23 -0.44 -0.00 0.00 0.00 178.16 178.39 1s1e h ASP 156 N 0.59 0.64 -0.44 3.88 3.32 -1.34 -0.37 116.42 122.70 1s1e h ASP 156 Ca 0.16 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1s1e h ASP 156 Cb -0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1s1e h ASP 156 CO -0.03 0.55 -0.14 -0.03 -1.72 0.00 0.00 179.24 177.87 1s1e h MET 157 N 0.71 0.88 -0.00 3.56 4.05 -0.68 0.32 114.93 123.76 1s1e h MET 157 Ca 0.18 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1s1e h MET 157 Cb 0.10 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1s1e h MET 157 CO -0.02 1.00 -0.13 -1.33 0.23 0.00 0.00 176.91 176.65 1s1e n MET 158 N -4.24 0.26 0.00 0.39 2.81 -0.34 -3.55 117.12 112.45 1s1e n MET 158 Ca -0.01 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1s1e n MET 158 Cb 0.40 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1s1e n MET 158 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s1e n GLY 159 N 1.41 3.20 0.78 3.03 0.00 -0.18 -1.63 105.19 111.81 1s1e n GLY 159 Ca 0.10 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1s1e n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s1e n LYS 160 N 14.00 2.05 -1.20 1.61 2.85 -1.26 -4.07 118.16 132.14 1s1e n LYS 160 Ca 0.00 -1.56 -0.22 0.00 -1.05 0.00 0.00 58.31 55.48 1s1e n LYS 160 Cb 0.00 -1.46 0.16 0.00 -0.65 0.00 0.00 35.03 33.08 1s1e n LYS 160 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1s1e n TYR 161 N 0.83 2.64 -1.78 5.58 4.01 -0.65 -4.80 117.16 122.99 1s1e n TYR 161 Ca 0.17 -2.06 -0.41 0.00 -0.16 0.00 0.00 57.90 55.44 1s1e n TYR 161 Cb 0.47 -0.92 -0.02 0.00 -0.31 0.00 0.00 39.34 38.56 1s1e n TYR 161 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1s1e n THR 162 N -1.08 3.04 0.00 -0.72 5.66 -1.22 -4.94 114.28 115.02 1s1e n THR 162 Ca 0.54 -2.80 0.00 0.00 -3.05 0.00 0.00 64.05 58.74 1s1e n THR 162 Cb 1.29 -2.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 1s1e n THR 162 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1s1e n TYR 163 N 7.50 -0.42 0.00 1.09 4.01 -1.26 -4.34 117.16 123.74 1s1e n TYR 163 Ca 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 1s1e n TYR 163 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1s1e n TYR 163 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1s1e n PRO 164 N -0.38 0.00 -0.29 -0.72 -0.04 -1.26 -1.69 135.00 130.61 1s1e n PRO 164 Ca 0.00 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.91 1s1e n PRO 164 Cb 0.00 -1.60 0.26 0.00 -0.04 0.00 0.00 33.50 32.11 1s1e n PRO 164 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1s1e h VAL 165 N 0.00 0.37 -2.49 0.52 2.07 -1.96 -3.14 116.25 111.62 1s1e h VAL 165 Ca 0.00 -0.08 -0.60 0.00 0.82 0.00 0.00 66.70 66.85 1s1e h VAL 165 Cb 0.21 0.12 -0.39 0.00 -1.52 0.00 0.00 31.29 29.71 1s1e h VAL 165 CO 0.00 0.04 -0.91 -0.76 0.02 0.00 0.00 177.57 175.97 1s1e s LEU 166 N -10.64 1.98 0.00 2.57 1.43 -0.68 -4.55 118.68 108.78 1s1e s LEU 166 Ca -0.12 -3.18 -0.23 0.00 -1.03 0.00 0.00 54.13 49.56 1s1e s LEU 166 Cb 0.25 -0.64 0.37 0.00 0.03 0.00 0.00 46.19 46.19 1s1e s LEU 166 CO 0.77 -0.16 0.82 2.29 0.23 0.00 0.00 176.35 180.30 1s1e n LYS 167 N 2.72 -4.71 -0.21 1.70 2.85 -1.19 -4.83 118.16 114.49 1s1e n LYS 167 Ca 0.28 -1.39 0.00 0.00 -1.05 0.00 0.00 58.31 56.15 1s1e n LYS 167 Cb 0.45 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 33.01 1s1e n LYS 167 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1s1e n GLU 168 N -5.55 0.00 -0.11 -1.58 1.02 -1.26 -4.79 120.64 108.37 1s1e n GLU 168 Ca 0.13 0.21 -0.05 0.00 -0.02 0.00 0.00 57.16 57.43 1s1e n GLU 168 Cb 0.57 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.01 1s1e n GLU 168 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1s1e h ASP 169 N 0.00 -0.13 -2.34 1.62 3.32 -1.97 -3.44 116.42 113.47 1s1e h ASP 169 Ca 0.00 0.08 -0.57 0.00 0.02 0.00 0.00 57.03 56.56 1s1e h ASP 169 Cb 0.00 0.14 -0.10 0.00 0.22 0.00 0.00 39.33 39.59 1s1e h ASP 169 CO 0.00 -0.03 -0.66 0.42 -1.72 0.00 0.00 179.24 177.26 1s1e s THR 170 N -6.18 3.42 0.26 0.35 -4.23 -1.26 -5.02 115.64 102.98 1s1e s THR 170 Ca -0.13 -1.86 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1s1e s THR 170 Cb 0.13 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.33 1s1e s THR 170 CO 0.71 -0.33 1.82 -0.65 -0.54 0.00 0.00 174.62 175.63 1s1e h PRO 171 N 2.07 0.94 -0.63 3.99 0.11 -1.91 -2.29 132.00 134.28 1s1e h PRO 171 Ca -0.45 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 65.48 1s1e h PRO 171 Cb 1.24 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1s1e h PRO 171 CO 0.59 0.81 0.37 -0.09 -0.21 0.00 0.00 178.00 179.47 1s1e h ARG 172 N 0.91 0.85 -0.01 1.05 9.65 -1.95 0.97 114.38 125.85 1s1e h ARG 172 Ca 0.20 -0.08 -0.19 0.00 -1.10 0.00 0.00 59.98 58.82 1s1e h ARG 172 Cb 0.26 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1s1e h ARG 172 CO -0.01 0.61 -0.84 1.96 2.80 0.00 0.00 179.97 184.49 1s1e h GLN 173 N 0.87 0.23 -0.09 0.20 4.20 -1.85 -2.68 115.11 115.98 1s1e h GLN 173 Ca 0.23 -0.23 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1s1e h GLN 173 Cb -0.01 0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.84 1s1e h GLN 173 CO -0.04 0.94 -0.76 1.25 -0.67 0.00 0.00 178.83 179.54 1s1e h HIS 174 N 0.13 0.94 -0.85 2.96 2.76 -0.89 -2.75 115.15 117.44 1s1e h HIS 174 Ca -0.04 -0.45 -0.03 0.00 -2.20 0.00 0.00 60.37 57.65 1s1e h HIS 174 Cb 1.45 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 30.24 1s1e h HIS 174 CO 0.03 1.27 0.43 0.28 -1.30 0.00 0.00 177.93 178.64 1s1e h VAL 175 N 0.34 1.26 -0.51 5.26 2.07 -0.86 0.26 116.25 124.07 1s1e h VAL 175 Ca -0.07 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.62 1s1e h VAL 175 Cb 1.41 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1s1e h VAL 175 CO 0.15 0.30 -0.18 0.44 0.02 0.00 0.00 177.57 178.31 1s1e h ASP 176 N 1.21 1.04 0.45 0.57 3.32 -1.51 -0.73 116.42 120.77 1s1e h ASP 176 Ca 0.30 -0.38 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 1s1e h ASP 176 Cb 0.09 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1s1e h ASP 176 CO -0.04 1.19 -0.53 0.58 -1.72 0.00 0.00 179.24 178.72 1s1e h VAL 177 N 0.89 1.37 0.02 -1.35 2.07 -1.16 -1.81 116.25 116.28 1s1e h VAL 177 Ca 0.12 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 1s1e h VAL 177 Cb 0.76 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1s1e h VAL 177 CO 0.06 0.53 -0.01 0.15 0.02 0.00 0.00 177.57 178.32 1s1e h PHE 178 N 0.07 -0.03 -0.66 1.57 3.04 -0.20 -3.06 116.94 117.66 1s1e h PHE 178 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1s1e h PHE 178 Cb 0.96 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 1s1e h PHE 178 CO 0.01 0.43 0.27 0.74 -2.02 0.00 0.00 178.31 177.74 1s1e h PHE 179 N -0.49 1.00 -0.42 0.41 -1.00 -1.12 -1.18 116.94 114.15 1s1e h PHE 179 Ca -0.00 -0.07 0.07 0.00 2.81 0.00 0.00 57.97 60.78 1s1e h PHE 179 Cb 0.47 -0.30 -0.06 0.00 3.61 0.00 0.00 35.95 39.66 1s1e h PHE 179 CO 0.08 0.78 0.03 0.37 -1.61 0.00 0.00 178.31 177.96 1s1e h GLN 180 N 0.94 0.13 -0.20 1.51 5.75 -1.40 0.42 115.11 122.26 1s1e h GLN 180 Ca 0.22 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.56 1s1e h GLN 180 Cb 0.19 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1s1e h GLN 180 CO -0.02 0.09 -0.51 0.87 -2.65 0.00 0.00 178.83 176.61 1s1e h LYS 181 N 0.14 0.56 0.04 1.69 1.57 -1.41 -3.36 116.57 115.80 1s1e h LYS 181 Ca 0.21 -0.33 -0.34 0.00 -1.87 0.00 0.00 60.65 58.31 1s1e h LYS 181 Cb 0.28 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1s1e h LYS 181 CO -0.32 0.94 -1.99 -0.12 -0.57 0.00 0.00 179.45 177.39 1s1e n MET 182 N -3.98 0.69 -2.10 3.15 1.56 -0.46 -4.62 117.12 111.36 1s1e n MET 182 Ca -0.03 0.23 -0.42 0.00 -0.27 0.00 0.00 57.70 57.21 1s1e n MET 182 Cb 0.58 -1.70 -0.01 0.00 2.15 0.00 0.00 33.22 34.25 1s1e n MET 182 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1s1e n ASP 183 N -3.18 4.26 -0.33 6.12 2.03 0.14 -4.72 116.55 120.88 1s1e n ASP 183 Ca -0.28 -2.86 0.11 0.00 0.52 0.00 0.00 54.79 52.28 1s1e n ASP 183 Cb 1.06 -1.68 0.32 0.00 -0.72 0.00 0.00 41.12 40.10 1s1e n ASP 183 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1s1e h LYS 184 N 6.94 0.77 -0.23 -0.67 1.79 -1.84 -1.15 116.57 122.18 1s1e h LYS 184 Ca 0.50 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 1s1e h LYS 184 Cb 0.76 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1s1e h LYS 184 CO 1.67 0.51 0.00 0.27 -1.08 0.00 0.00 179.45 180.83 1s1e n ASN 185 N -4.64 2.30 -3.89 0.86 6.94 -1.26 -4.97 115.26 110.59 1s1e n ASN 185 Ca 0.20 -1.82 -0.26 0.00 -0.02 0.00 0.00 54.58 52.68 1s1e n ASN 185 Cb 0.49 -0.15 0.01 0.00 -2.36 0.00 0.00 39.78 37.76 1s1e n ASN 185 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1s1e n LYS 186 N 0.74 -4.27 -0.71 -3.83 5.02 -0.44 -4.88 118.16 109.79 1s1e n LYS 186 Ca 0.17 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 57.05 1s1e n LYS 186 Cb 0.43 -5.00 0.35 0.00 -0.02 0.00 0.00 35.03 30.79 1s1e n LYS 186 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1s1e n ASP 187 N -2.94 5.03 0.00 4.39 3.85 -1.26 -4.92 116.55 120.70 1s1e n ASP 187 Ca -0.19 -2.84 0.00 0.00 -0.71 0.00 0.00 54.79 51.05 1s1e n ASP 187 Cb 0.63 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 1s1e n ASP 187 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s1e n GLY 188 N 0.43 0.29 3.18 6.12 0.00 -1.26 -4.99 105.19 108.96 1s1e n GLY 188 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 1s1e n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s1e s ILE 189 N -1.65 1.35 -0.23 -0.61 -1.09 -1.26 -4.36 121.20 113.35 1s1e s ILE 189 Ca 0.00 -0.99 -0.02 0.00 -2.23 0.00 0.00 60.65 57.41 1s1e s ILE 189 Cb 0.00 -1.18 0.02 0.00 -1.58 0.00 0.00 42.46 39.72 1s1e s ILE 189 CO 0.00 0.17 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.11 1s1e s VAL 190 N -0.71 2.84 0.64 2.92 1.01 -0.61 -4.74 120.40 121.75 1s1e s VAL 190 Ca 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1s1e s VAL 190 Cb -0.08 -2.38 0.06 0.00 0.00 0.00 0.00 36.38 33.99 1s1e s VAL 190 CO 0.01 0.29 0.90 0.42 0.00 0.00 0.00 175.10 176.73 1s1e s THR 191 N 1.35 2.43 0.18 3.92 -4.23 -1.26 -0.80 115.64 117.23 1s1e s THR 191 Ca 0.02 -0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 59.89 1s1e s THR 191 Cb -0.16 -2.91 0.09 0.00 1.34 0.00 0.00 72.50 70.86 1s1e s THR 191 CO -0.06 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.09 1s1e h LEU 192 N -0.29 0.53 -0.77 4.79 5.85 -1.99 -1.47 115.31 121.97 1s1e h LEU 192 Ca -0.42 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 1s1e h LEU 192 Cb 1.30 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1s1e h LEU 192 CO 0.52 0.37 0.33 -0.78 -0.34 0.00 0.00 178.44 178.54 1s1e h ASP 193 N 0.66 1.04 -0.52 1.25 3.58 -1.94 0.44 116.42 120.93 1s1e h ASP 193 Ca 0.23 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 1s1e h ASP 193 Cb 0.04 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1s1e h ASP 193 CO -0.11 0.92 0.08 -0.33 -2.88 0.00 0.00 179.24 176.92 1s1e h GLU 194 N 1.10 0.91 -0.21 0.28 5.08 -1.82 -1.35 114.58 118.58 1s1e h GLU 194 Ca 0.26 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1s1e h GLU 194 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1s1e h GLU 194 CO -0.03 0.86 0.10 0.35 -1.00 0.00 0.00 179.01 179.29 1s1e h PHE 195 N 0.86 0.29 -0.20 4.33 3.57 -0.59 -1.35 116.94 123.84 1s1e h PHE 195 Ca 0.18 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1s1e h PHE 195 Cb 0.40 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1s1e h PHE 195 CO 0.02 0.30 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.31 1s1e h LEU 196 N 0.21 0.37 -0.16 0.59 3.38 -0.74 -2.16 115.31 116.79 1s1e h LEU 196 Ca 0.07 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1s1e h LEU 196 Cb 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1s1e h LEU 196 CO -0.01 0.62 0.04 -0.33 0.09 0.00 0.00 178.44 178.85 1s1e h GLU 197 N 0.12 0.11 -0.43 1.13 4.39 -1.22 0.20 114.58 118.87 1s1e h GLU 197 Ca 0.06 -0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.80 1s1e h GLU 197 Cb 0.44 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 1s1e h GLU 197 CO 0.01 0.07 0.15 0.66 -1.16 0.00 0.00 179.01 178.74 1s1e h SER 198 N 0.11 0.15 -0.49 1.42 4.64 -1.22 0.26 113.55 118.42 1s1e h SER 198 Ca 0.07 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1s1e h SER 198 Cb 0.06 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1s1e h SER 198 CO -0.09 0.12 0.01 0.00 -0.87 0.00 0.00 176.83 176.00 1s1e h GLN 200 N 0.84 0.47 -0.26 0.00 4.15 0.08 -2.92 115.11 117.48 1s1e h GLN 200 Ca 0.16 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1s1e h GLN 200 Cb 0.48 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1s1e h GLN 200 CO 0.02 0.68 0.00 -0.85 -1.93 0.00 0.00 178.83 176.75 1s1e n GLU 201 N -4.13 2.09 -3.32 1.69 0.28 0.02 -4.79 120.64 112.47 1s1e n GLU 201 Ca -0.00 -1.63 -0.08 0.00 -0.16 0.00 0.00 57.16 55.28 1s1e n GLU 201 Cb 0.39 -1.45 -0.07 0.00 1.43 0.00 0.00 31.44 31.75 1s1e n GLU 201 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1s1e s ASP 202 N -1.54 0.20 0.54 -1.84 -1.08 -0.62 -5.01 116.67 107.31 1s1e s ASP 202 Ca 0.35 0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.67 1s1e s ASP 202 Cb 0.20 1.18 1.51 0.00 -1.46 0.00 0.00 42.92 44.35 1s1e s ASP 202 CO 0.29 -0.32 2.13 -0.78 0.52 0.00 0.00 175.17 177.01 1s1e h ASP 203 N 8.16 0.00 -0.12 -0.34 3.58 -1.87 -2.91 116.42 122.93 1s1e h ASP 203 Ca -0.15 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.24 1s1e h ASP 203 Cb 1.14 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1s1e h ASP 203 CO 0.27 0.08 -0.15 0.78 -2.88 0.00 0.00 179.24 177.34 1s1e h ASN 204 N 0.00 0.33 -0.59 2.28 2.35 -1.95 -3.00 115.58 115.01 1s1e h ASN 204 Ca -0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1s1e h ASN 204 Cb 0.20 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1s1e h ASN 204 CO 0.01 0.77 0.38 0.40 -1.65 0.00 0.00 177.43 177.34 1s1e h ILE 205 N -0.10 1.16 0.03 2.81 2.04 -1.85 -2.81 117.51 118.79 1s1e h ILE 205 Ca 0.02 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1s1e h ILE 205 Cb 0.69 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1s1e h ILE 205 CO 0.03 0.16 -0.25 -0.03 0.00 0.00 0.00 178.15 178.06 1s1e h MET 206 N 0.79 -0.39 -0.17 2.37 4.05 -1.56 -2.96 114.93 117.06 1s1e h MET 206 Ca 0.21 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.71 1s1e h MET 206 Cb -0.07 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 1s1e h MET 206 CO -0.04 -0.26 -0.13 0.00 0.23 0.00 0.00 176.91 176.70 1s1e h ARG 207 N -0.41 -0.14 0.00 0.39 3.08 -1.40 0.18 114.38 116.08 1s1e h ARG 207 Ca 0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1s1e h ARG 207 Cb 0.47 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1s1e h ARG 207 CO -0.20 -0.09 0.19 0.66 -1.07 0.00 0.00 179.97 179.45 1s1e h SER 208 N -0.14 0.00 0.00 7.04 4.64 -1.37 0.52 113.55 124.24 1s1e h SER 208 Ca 0.10 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.12 1s1e h SER 208 Cb 0.30 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 1s1e h SER 208 CO -0.25 0.00 -2.02 0.18 -0.87 0.00 0.00 176.83 173.87 1s1e n LEU 209 N -2.36 1.95 -0.04 5.97 4.77 -0.34 -4.75 117.00 122.19 1s1e n LEU 209 Ca -0.01 0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1s1e n LEU 209 Cb 0.22 -0.79 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 1s1e n LEU 209 CO 0.10 0.28 0.37 1.56 -1.33 0.00 0.00 177.39 178.37 1s1e h GLN 210 N -1.00 0.65 -0.24 3.23 1.08 -0.36 -3.38 115.11 115.10 1s1e h GLN 210 Ca -0.46 -0.50 0.03 0.00 -1.45 0.00 0.00 58.65 56.27 1s1e h GLN 210 Cb 1.40 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.89 1s1e h GLN 210 CO -0.28 1.12 -0.10 -0.11 -0.95 0.00 0.00 178.83 178.51 1s1e n LEU 211 N -4.13 -0.17 0.25 1.46 -0.00 0.14 0.14 117.00 114.70 1s1e n LEU 211 Ca -0.07 0.41 0.13 0.00 -0.00 0.00 0.00 56.01 56.48 1s1e n LEU 211 Cb 0.63 -0.09 0.64 0.00 -0.00 0.00 0.00 43.42 44.60 1s1e n LEU 211 CO 0.48 -0.37 0.92 -0.26 -0.00 0.00 0.00 177.39 178.17 1s1e h PHE 212 N 0.00 0.00 0.01 1.96 0.04 -1.82 -2.55 116.94 114.58 1s1e h PHE 212 Ca 0.08 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.62 1s1e h PHE 212 Cb 0.13 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1s1e h PHE 212 CO -0.21 0.14 -1.10 1.96 -0.60 0.00 0.00 178.31 178.50 1s1e h GLN 213 N 0.00 0.01 -0.22 1.51 7.50 0.10 -3.35 115.11 120.67 1s1e h GLN 213 Ca -0.00 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.03 1s1e h GLN 213 Cb 0.51 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.05 1s1e h GLN 213 CO 0.02 0.95 -0.24 -0.91 -1.50 0.00 0.00 178.83 177.15 1s1e h ASN 214 N 0.00 0.59 -0.92 1.46 2.35 -1.04 -3.17 115.58 114.85 1s1e h ASN 214 Ca -0.05 -0.49 0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1s1e h ASN 214 Cb 1.81 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.98 1s1e h ASN 214 CO 0.13 0.96 1.03 0.58 -1.65 0.00 0.00 177.43 178.47 1s1e h VAL 215 N 0.23 0.10 0.10 2.81 2.07 -1.63 0.48 116.25 120.41 1s1e h VAL 215 Ca 0.03 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.27 1s1e h VAL 215 Cb 0.80 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1s1e h VAL 215 CO 0.06 0.00 -1.37 0.24 0.02 0.00 0.00 177.57 176.52 1s1e h MET 216 N 0.00 0.21 -0.65 1.57 2.86 -1.76 -3.31 114.93 113.85 1s1e h MET 216 Ca 0.44 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1s1e h MET 216 Cb 2.49 0.13 0.00 0.00 0.06 0.00 0.00 31.60 34.28 1s1e h MET 216 CO -0.00 1.10 0.00 1.33 1.06 0.00 0.00 176.91 180.39 1s1e n VAL 217 N -3.44 1.59 0.37 -2.22 0.24 0.17 -5.10 118.33 109.94 1s1e n VAL 217 Ca -0.11 -0.91 0.03 0.00 -2.04 0.00 0.00 64.34 61.31 1s1e n VAL 217 Cb 1.02 -0.14 0.17 0.00 -1.47 0.00 0.00 33.84 33.42 1s1e n VAL 217 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07