#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1s s LYS 3 N 0.00 3.08 1.12 -1.46 1.02 -1.26 -5.01 119.74 117.23 2x1s s LYS 3 Ca 0.00 2.08 -0.15 0.00 0.02 0.00 0.00 55.97 57.92 2x1s s LYS 3 Cb 0.00 -2.15 0.25 0.00 -0.52 0.00 0.00 37.83 35.41 2x1s s LYS 3 CO 0.00 -1.19 1.08 -1.25 -0.92 0.00 0.00 175.35 173.07 2x1s s PRO 4 N -3.04 -0.57 0.07 -1.68 0.04 -1.26 -4.91 135.00 123.66 2x1s s PRO 4 Ca 0.74 0.34 -0.34 0.00 0.04 0.00 0.00 61.00 61.77 2x1s s PRO 4 Cb -0.37 -1.64 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 2x1s s PRO 4 CO 0.42 -3.36 1.66 0.94 0.04 0.00 0.00 177.00 176.71 2x1s n GLN 5 N -4.58 2.09 -1.80 4.56 7.27 -1.26 -4.96 117.38 118.70 2x1s n GLN 5 Ca 0.08 0.76 -0.31 0.00 0.07 0.00 0.00 57.00 57.60 2x1s n GLN 5 Cb 0.58 -2.55 0.03 0.00 2.41 0.00 0.00 30.24 30.72 2x1s n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1s s PRO 6 N 1.94 3.14 -0.03 3.69 0.04 -1.26 -4.92 135.00 137.60 2x1s s PRO 6 Ca 0.84 0.69 0.04 0.00 0.04 0.00 0.00 61.00 62.60 2x1s s PRO 6 Cb -0.70 -2.03 -0.00 0.00 0.04 0.00 0.00 34.50 31.80 2x1s s PRO 6 CO 0.43 -0.88 -0.14 0.42 0.04 0.00 0.00 177.00 176.87 2x1s s ILE 7 N -3.21 1.16 -0.23 0.56 1.01 -0.84 -1.63 121.20 118.01 2x1s s ILE 7 Ca 0.57 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2x1s s ILE 7 Cb -0.12 -1.00 0.04 0.00 0.01 0.00 0.00 42.46 41.39 2x1s s ILE 7 CO 0.54 0.34 -0.14 0.00 0.00 0.00 0.00 174.94 175.68 2x1s s ALA 8 N 0.08 2.50 -0.05 9.38 0.00 -0.49 -1.51 121.76 131.66 2x1s s ALA 8 Ca -0.03 -1.52 0.06 0.00 0.00 0.00 0.00 51.96 50.46 2x1s s ALA 8 Cb -0.10 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2x1s s ALA 8 CO 0.01 -0.83 -0.22 0.00 0.00 0.00 0.00 175.76 174.72 2x1s s ALA 9 N 1.20 2.30 -0.12 0.00 0.00 0.09 -1.04 121.76 124.19 2x1s s ALA 9 Ca -0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 2x1s s ALA 9 Cb -0.17 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2x1s s ALA 9 CO -0.08 0.47 -0.09 0.00 0.00 0.00 0.00 175.76 176.06 2x1s s ALA 10 N -0.38 2.83 -0.34 0.00 0.00 0.42 -0.78 121.76 123.51 2x1s s ALA 10 Ca 0.03 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 2x1s s ALA 10 Cb -0.12 -1.32 0.06 0.00 0.00 0.00 0.00 23.12 21.74 2x1s s ALA 10 CO 0.02 0.32 0.08 1.21 0.00 0.00 0.00 175.76 177.39 2x1s s ASN 11 N 0.05 5.11 0.29 0.00 2.47 0.23 -0.20 114.94 122.88 2x1s s ASN 11 Ca -0.02 -1.41 -0.30 0.00 0.42 0.00 0.00 52.86 51.55 2x1s s ASN 11 Cb -0.14 -1.79 -0.12 0.00 -1.45 0.00 0.00 41.25 37.75 2x1s s ASN 11 CO 0.04 -0.35 1.53 1.87 -3.72 0.00 0.00 177.10 176.47 2x1s n TRP 12 N 4.68 2.67 -4.33 0.43 -0.00 -0.53 -3.83 117.44 116.53 2x1s n TRP 12 Ca -0.10 0.32 -0.18 0.00 -0.00 0.00 0.00 57.50 57.53 2x1s n TRP 12 Cb 0.43 -2.55 -0.14 0.00 -0.00 0.00 0.00 31.31 29.05 2x1s n TRP 12 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2x1s s LYS 13 N -0.60 0.73 -0.80 5.87 2.20 -1.26 -4.88 119.74 120.99 2x1s s LYS 13 Ca 0.64 -0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 55.57 2x1s s LYS 13 Cb -0.54 -0.69 -0.13 0.00 -1.51 0.00 0.00 37.83 34.96 2x1s s LYS 13 CO 0.50 0.18 2.38 0.45 -0.36 0.00 0.00 175.35 178.50 2x1s s SER 15 N -0.46 3.94 0.00 1.43 0.15 -1.26 -5.05 113.70 112.45 2x1s s SER 15 Ca 0.02 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2x1s s SER 15 Cb -0.05 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2x1s s SER 15 CO -0.00 -3.84 0.00 -0.24 1.20 0.00 0.00 173.24 170.36 2x1s n SER 17 N 18.46 0.00 0.11 5.45 2.88 -1.26 -5.21 113.62 134.05 2x1s n SER 17 Ca 0.46 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 2x1s n SER 17 Cb 0.43 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.19 2x1s n SER 17 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2x1s h PRO 18 N 0.00 0.00 -6.54 -1.46 0.11 -1.97 -3.47 132.00 118.67 2x1s h PRO 18 Ca 0.00 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.61 2x1s h PRO 18 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2x1s h PRO 18 CO 0.00 0.00 -0.13 -0.51 -0.21 0.00 0.00 178.00 177.15 2x1s s ASP 19 N -4.76 6.39 -0.14 -2.05 1.01 -1.26 -5.05 116.67 110.80 2x1s s ASP 19 Ca 0.09 0.67 -0.29 0.00 0.71 0.00 0.00 52.55 53.72 2x1s s ASP 19 Cb 0.11 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 2x1s s ASP 19 CO 0.64 -0.26 1.00 -0.55 0.21 0.00 0.00 175.17 176.22 2x1s s SER 20 N -3.48 7.19 0.17 0.27 0.15 -1.26 -4.95 113.70 111.78 2x1s s SER 20 Ca 0.43 1.47 -0.15 0.00 0.70 0.00 0.00 55.95 58.40 2x1s s SER 20 Cb -0.10 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.71 2x1s s SER 20 CO 0.33 -0.50 1.83 0.25 1.20 0.00 0.00 173.24 176.35 2x1s h LEU 21 N 8.40 0.54 -1.22 3.45 5.85 -1.97 -1.12 115.31 129.23 2x1s h LEU 21 Ca -0.28 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2x1s h LEU 21 Cb 1.12 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2x1s h LEU 21 CO 0.89 0.39 0.25 0.77 -0.34 0.00 0.00 178.44 180.39 2x1s h SER 22 N 0.64 0.71 -0.33 1.25 4.64 -1.99 -0.84 113.55 117.63 2x1s h SER 22 Ca 0.18 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 2x1s h SER 22 Cb -0.07 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 2x1s h SER 22 CO -0.04 0.62 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.06 2x1s h GLU 23 N 0.78 0.78 -0.47 4.77 5.08 -1.84 -0.66 114.58 123.02 2x1s h GLU 23 Ca 0.19 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2x1s h GLU 23 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2x1s h GLU 23 CO -0.02 0.88 0.06 -0.07 -1.00 0.00 0.00 179.01 178.86 2x1s h LEU 24 N 0.70 0.76 -0.63 1.33 3.38 -0.69 -0.99 115.31 119.16 2x1s h LEU 24 Ca 0.11 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2x1s h LEU 24 Cb 0.64 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2x1s h LEU 24 CO 0.04 0.84 0.34 0.40 0.09 0.00 0.00 178.44 180.16 2x1s h ILE 25 N 0.65 0.96 -0.30 1.22 2.04 -0.98 0.45 117.51 121.55 2x1s h ILE 25 Ca 0.14 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.83 2x1s h ILE 25 Cb 0.41 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2x1s h ILE 25 CO 0.01 0.12 -0.01 0.44 0.00 0.00 0.00 178.15 178.71 2x1s h ASP 26 N 0.64 -0.15 -0.38 1.72 3.32 -0.91 0.62 116.42 121.28 2x1s h ASP 26 Ca 0.28 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.47 2x1s h ASP 26 Cb 0.18 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 2x1s h ASP 26 CO -0.18 -0.04 0.05 0.25 -1.72 0.00 0.00 179.24 177.60 2x1s h LEU 27 N 0.07 -0.06 -0.50 1.55 5.85 -0.36 -1.85 115.31 120.02 2x1s h LEU 27 Ca 0.15 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2x1s h LEU 27 Cb 0.20 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2x1s h LEU 27 CO -0.26 0.01 0.26 -0.26 -0.34 0.00 0.00 178.44 177.85 2x1s h PHE 28 N 0.16 0.71 -0.37 1.25 0.04 -0.48 -2.22 116.94 116.04 2x1s h PHE 28 Ca 0.19 -0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.98 2x1s h PHE 28 Cb 0.24 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2x1s h PHE 28 CO -0.22 0.54 0.25 -0.91 -0.60 0.00 0.00 178.31 177.37 2x1s h ASN 29 N 0.67 0.28 0.35 2.17 2.35 -0.50 -1.93 115.58 118.97 2x1s h ASN 29 Ca 0.18 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2x1s h ASN 29 Cb 0.08 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2x1s h ASN 29 CO -0.03 0.19 -0.15 -1.54 -1.65 0.00 0.00 177.43 174.25 2x1s n SER 30 N -4.48 0.59 -4.76 5.81 3.41 -0.73 -4.81 113.62 108.65 2x1s n SER 30 Ca 0.04 -0.61 -0.40 0.00 -0.26 0.00 0.00 58.87 57.64 2x1s n SER 30 Cb 0.21 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 2x1s n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1s s THR 31 N -2.51 4.44 -0.20 6.66 2.01 -0.73 -5.04 115.64 120.26 2x1s s THR 31 Ca 0.27 1.77 -0.17 0.00 0.31 0.00 0.00 61.69 63.87 2x1s s THR 31 Cb 0.20 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2x1s s THR 31 CO 0.49 0.46 0.45 -0.44 -0.69 0.00 0.00 174.62 174.89 2x1s s SER 32 N -0.77 6.48 -0.12 3.53 0.01 -1.26 -5.05 113.70 116.51 2x1s s SER 32 Ca 0.38 0.57 -0.00 0.00 1.31 0.00 0.00 55.95 58.20 2x1s s SER 32 Cb -0.23 -2.26 0.03 0.00 0.21 0.00 0.00 66.02 63.77 2x1s s SER 32 CO 0.26 -0.13 -0.08 -0.63 0.41 0.00 0.00 173.24 173.08 2x1s s ILE 33 N 1.49 1.10 -1.87 1.44 1.01 -1.26 -5.04 121.20 118.07 2x1s s ILE 33 Ca 0.21 -0.37 0.16 0.00 0.00 0.00 0.00 60.65 60.65 2x1s s ILE 33 Cb -0.15 -1.13 0.10 0.00 0.01 0.00 0.00 42.46 41.29 2x1s s ILE 33 CO 0.09 0.35 0.97 0.59 0.00 0.00 0.00 174.94 176.93 2x1s n ASN 34 N 4.92 2.16 -4.59 3.58 3.02 -1.26 -4.97 115.26 118.12 2x1s n ASN 34 Ca -0.13 -1.58 -0.26 0.00 -0.03 0.00 0.00 54.58 52.58 2x1s n ASN 34 Cb 0.50 0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.68 2x1s n ASN 34 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 2x1s s HIS 35 N -1.46 2.47 -0.53 3.10 -3.43 -1.26 -5.07 115.29 109.10 2x1s s HIS 35 Ca 0.17 -0.53 -0.28 0.00 -0.80 0.00 0.00 55.06 53.62 2x1s s HIS 35 Cb 0.13 -1.52 -0.00 0.00 -1.43 0.00 0.00 32.58 29.75 2x1s s HIS 35 CO 0.25 0.52 1.62 0.34 -2.00 0.00 0.00 174.74 175.46 2x1s s ASP 36 N -3.67 5.82 -0.06 7.38 -1.08 -1.26 -4.95 116.67 118.86 2x1s s ASP 36 Ca 0.34 0.49 -0.03 0.00 -0.52 0.00 0.00 52.55 52.83 2x1s s ASP 36 Cb 0.04 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.99 2x1s s ASP 36 CO 0.18 -1.91 0.14 0.54 0.52 0.00 0.00 175.17 174.63 2x1s s VAL 37 N 7.13 -0.03 -0.29 1.11 0.11 -1.26 -4.37 120.40 122.80 2x1s s VAL 37 Ca 0.62 0.11 -0.24 0.00 -2.93 0.00 0.00 61.98 59.54 2x1s s VAL 37 Cb -0.14 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2x1s s VAL 37 CO 0.25 0.05 0.81 -1.58 -3.33 0.00 0.00 175.10 171.30 2x1s s GLN 38 N 0.75 4.02 -0.10 1.54 2.00 -0.65 -4.90 119.66 122.33 2x1s s GLN 38 Ca -0.06 0.70 -0.09 0.00 -2.00 0.00 0.00 55.36 53.91 2x1s s GLN 38 Cb -0.07 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 29.98 2x1s s GLN 38 CO -0.04 -0.65 0.20 0.00 -0.50 0.00 0.00 175.29 174.30 2x1s s VAL 40 N -0.97 0.76 -0.36 0.00 1.01 -0.20 -0.70 120.40 119.93 2x1s s VAL 40 Ca 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 2x1s s VAL 40 Cb -0.13 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.58 2x1s s VAL 40 CO 0.06 0.27 0.13 -0.69 0.00 0.00 0.00 175.10 174.87 2x1s s VAL 41 N 0.83 3.42 -0.20 2.92 1.01 0.01 -0.44 120.40 127.95 2x1s s VAL 41 Ca -0.12 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 60.04 2x1s s VAL 41 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2x1s s VAL 41 CO 0.01 -0.39 0.75 0.00 0.00 0.00 0.00 175.10 175.47 2x1s s ALA 42 N 1.26 3.56 0.10 5.51 0.00 0.72 -1.04 121.76 131.87 2x1s s ALA 42 Ca 0.02 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 51.94 2x1s s ALA 42 Cb -0.21 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2x1s s ALA 42 CO -0.01 -0.68 -0.24 -1.12 0.00 0.00 0.00 175.76 173.70 2x1s s SER 43 N 1.23 2.96 0.47 0.00 0.01 0.97 -1.45 113.70 117.89 2x1s s SER 43 Ca 0.34 -0.68 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 2x1s s SER 43 Cb -0.16 -0.20 -0.07 0.00 0.21 0.00 0.00 66.02 65.80 2x1s s SER 43 CO 0.10 0.15 0.89 0.28 0.41 0.00 0.00 173.24 175.07 2x1s s THR 44 N -1.03 4.66 0.22 1.44 -1.32 -1.26 -3.45 115.64 114.90 2x1s s THR 44 Ca 0.11 0.92 -0.13 0.00 -1.21 0.00 0.00 61.69 61.37 2x1s s THR 44 Cb -0.10 -3.74 0.26 0.00 -1.51 0.00 0.00 72.50 67.41 2x1s s THR 44 CO 0.04 -0.65 1.61 0.15 -2.21 0.00 0.00 174.62 173.57 2x1s h PHE 45 N 0.98 -0.41 0.00 9.09 3.04 -1.98 -0.56 116.94 127.11 2x1s h PHE 45 Ca -0.47 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.54 2x1s h PHE 45 Cb 1.19 0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.98 2x1s h PHE 45 CO 0.62 -0.30 0.00 -0.39 -2.02 0.00 0.00 178.31 176.22 2x1s h VAL 46 N -0.01 0.00 -0.10 1.41 -1.51 -2.04 -1.91 116.25 112.09 2x1s h VAL 46 Ca 0.32 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.65 2x1s h VAL 46 Cb 0.51 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2x1s h VAL 46 CO -0.71 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.04 2x1s n HIS 47 N -2.61 0.11 -0.11 5.19 8.25 -0.24 -4.63 115.22 121.19 2x1s n HIS 47 Ca -0.01 -0.09 -0.08 0.00 -0.26 0.00 0.00 57.72 57.29 2x1s n HIS 47 Cb 0.14 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2x1s n HIS 47 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2x1s h LEU 48 N 2.87 0.32 -0.42 2.41 5.85 -1.05 -1.61 115.31 123.68 2x1s h LEU 48 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2x1s h LEU 48 Cb 0.65 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2x1s h LEU 48 CO 0.00 0.23 0.19 0.00 -0.34 0.00 0.00 178.44 178.53 2x1s h ALA 49 N 1.16 0.55 -0.27 1.25 0.00 -1.82 -0.99 119.26 119.13 2x1s h ALA 49 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2x1s h ALA 49 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2x1s h ALA 49 CO -0.07 0.12 0.05 1.98 0.00 0.00 0.00 179.25 181.33 2x1s h MET 50 N 0.54 0.45 -0.60 0.00 1.85 -1.84 -2.33 114.93 113.01 2x1s h MET 50 Ca 0.14 -0.12 -0.02 0.00 -0.61 0.00 0.00 59.70 59.10 2x1s h MET 50 Cb 0.14 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.09 2x1s h MET 50 CO -0.02 0.56 0.31 1.15 -0.40 0.00 0.00 176.91 178.51 2x1s h THR 51 N 0.27 1.20 -0.89 -0.77 2.02 -1.22 -0.85 112.91 112.67 2x1s h THR 51 Ca 0.08 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.76 2x1s h THR 51 Cb 0.33 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 2x1s h THR 51 CO 0.00 0.23 0.59 0.50 0.37 0.00 0.00 175.52 177.21 2x1s h LYS 52 N 0.81 1.09 -0.03 6.66 1.63 -1.12 -0.33 116.57 125.29 2x1s h LYS 52 Ca 0.21 -0.07 -0.23 0.00 -0.85 0.00 0.00 60.65 59.71 2x1s h LYS 52 Cb 0.08 -0.25 0.01 0.00 -0.60 0.00 0.00 32.23 31.47 2x1s h LYS 52 CO -0.03 0.72 -0.92 0.93 -3.45 0.00 0.00 179.45 176.70 2x1s h GLU 53 N 1.12 0.54 0.01 1.90 4.39 -0.84 -3.38 114.58 118.33 2x1s h GLU 53 Ca 0.35 -0.54 -0.33 0.00 0.34 0.00 0.00 59.36 59.19 2x1s h GLU 53 Cb 0.01 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 2x1s h GLU 53 CO -0.10 1.17 -2.00 0.54 -1.16 0.00 0.00 179.01 177.45 2x1s n ARG 54 N -3.81 0.66 -2.51 2.33 5.12 -0.38 -4.87 116.66 113.20 2x1s n ARG 54 Ca -0.08 0.19 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 2x1s n ARG 54 Cb 0.82 -1.68 -0.03 0.00 -1.16 0.00 0.00 32.46 30.41 2x1s n ARG 54 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2x1s s LEU 55 N -6.03 4.27 0.00 0.55 2.96 -0.16 -4.88 118.68 115.39 2x1s s LEU 55 Ca -0.10 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 2x1s s LEU 55 Cb 0.07 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2x1s s LEU 55 CO 0.81 -0.55 0.00 -1.54 -1.32 0.00 0.00 176.35 173.75 2x1s n SER 56 N 5.12 0.36 -4.65 3.68 3.41 -1.26 -4.90 113.62 115.37 2x1s n SER 56 Ca 0.10 -0.19 -0.47 0.00 -0.26 0.00 0.00 58.87 58.06 2x1s n SER 56 Cb 0.47 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.82 2x1s n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2x1s n HIS 57 N -0.48 2.10 0.24 7.33 -0.00 -1.26 -4.84 115.22 118.30 2x1s n HIS 57 Ca 0.00 0.37 0.16 0.00 -0.00 0.00 0.00 57.72 58.25 2x1s n HIS 57 Cb 0.00 -2.49 0.84 0.00 -0.00 0.00 0.00 29.99 28.34 2x1s n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2x1s h PRO 58 N 5.34 0.00 -0.15 1.57 0.11 -1.98 -1.67 132.00 135.22 2x1s h PRO 58 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2x1s h PRO 58 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2x1s h PRO 58 CO 0.84 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.26 2x1s n LYS 59 N -3.91 1.99 -4.17 1.05 5.02 -1.26 -4.91 118.16 111.97 2x1s n LYS 59 Ca -0.00 -1.47 -0.33 0.00 -2.02 0.00 0.00 58.31 54.49 2x1s n LYS 59 Cb 0.22 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.70 2x1s n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1s s PHE 60 N -1.82 3.19 0.15 2.13 0.40 -0.63 -0.74 117.98 120.67 2x1s s PHE 60 Ca 0.34 0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.87 2x1s s PHE 60 Cb 0.20 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 2x1s s PHE 60 CO 0.30 0.51 -0.11 0.14 0.70 0.00 0.00 175.22 176.77 2x1s s VAL 61 N -1.16 1.23 0.06 -0.44 -7.23 0.12 -4.84 120.40 108.14 2x1s s VAL 61 Ca 0.22 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2x1s s VAL 61 Cb -0.12 -1.86 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 2x1s s VAL 61 CO 0.13 -0.73 0.32 -0.63 -0.31 0.00 0.00 175.10 173.88 2x1s s ILE 62 N -3.27 5.23 0.05 -0.62 1.01 -1.26 -0.81 121.20 121.53 2x1s s ILE 62 Ca 0.17 0.13 0.06 0.00 0.00 0.00 0.00 60.65 61.01 2x1s s ILE 62 Cb 0.02 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2x1s s ILE 62 CO 0.01 0.24 -0.17 0.00 0.00 0.00 0.00 174.94 175.02 2x1s s ALA 63 N -1.44 1.42 0.93 9.38 0.00 -0.21 -3.94 121.76 127.90 2x1s s ALA 63 Ca 0.33 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 2x1s s ALA 63 Cb -0.13 -0.24 0.20 0.00 0.00 0.00 0.00 23.12 22.95 2x1s s ALA 63 CO 0.20 0.29 1.27 0.00 0.00 0.00 0.00 175.76 177.52 2x1s s ALA 64 N -0.87 2.49 -0.02 0.00 0.00 -0.74 -0.02 121.76 122.59 2x1s s ALA 64 Ca 0.04 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.65 2x1s s ALA 64 Cb -0.08 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.44 2x1s s ALA 64 CO 0.02 -2.32 -0.04 -0.65 0.00 0.00 0.00 175.76 172.77 2x1s s GLN 65 N -5.78 0.55 0.00 0.00 -0.21 -1.22 -1.54 119.66 111.46 2x1s s GLN 65 Ca 0.74 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 56.01 2x1s s GLN 65 Cb -0.03 -0.58 0.00 0.00 1.00 0.00 0.00 33.01 33.39 2x1s s GLN 65 CO 0.52 -0.01 0.00 0.09 -2.12 0.00 0.00 175.29 173.77 2x1s n ASN 66 N 3.60 0.00 -4.68 5.90 3.02 -0.12 -4.91 115.26 118.07 2x1s n ASN 66 Ca -0.21 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 53.90 2x1s n ASN 66 Cb 0.54 -0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 2x1s n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x1s n ALA 67 N 0.52 1.48 -0.41 5.41 0.00 -1.26 -4.88 120.51 121.37 2x1s n ALA 67 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2x1s n ALA 67 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2x1s n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x1s n GLY 68 N 2.51 0.33 3.76 0.00 0.00 -1.26 -4.94 105.19 105.59 2x1s n GLY 68 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2x1s n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1s s ASN 69 N -0.13 6.55 0.32 1.61 3.84 -1.26 -4.89 114.94 120.98 2x1s s ASN 69 Ca 0.00 0.65 -0.00 0.00 0.21 0.00 0.00 52.86 53.72 2x1s s ASN 69 Cb 0.00 -2.20 0.52 0.00 -0.55 0.00 0.00 41.25 39.02 2x1s s ASN 69 CO 0.00 0.15 1.98 0.00 -2.79 0.00 0.00 177.10 176.44 2x1s h ALA 70 N 6.17 1.48 -0.43 1.71 0.00 -1.97 -0.04 119.26 126.17 2x1s h ALA 70 Ca -0.44 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2x1s h ALA 70 Cb 1.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2x1s h ALA 70 CO 0.71 0.47 -0.01 -0.44 0.00 0.00 0.00 179.25 179.99 2x1s h ASP 71 N 1.02 0.76 -0.63 0.00 3.32 -1.99 -2.01 116.42 116.88 2x1s h ASP 71 Ca 0.29 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2x1s h ASP 71 Cb -0.07 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 2x1s h ASP 71 CO -0.07 0.89 0.18 0.00 -1.72 0.00 0.00 179.24 178.51 2x1s h ALA 72 N 0.90 0.83 -0.36 3.45 0.00 -1.76 -1.24 119.26 121.08 2x1s h ALA 72 Ca 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2x1s h ALA 72 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2x1s h ALA 72 CO 0.02 0.52 0.21 -0.07 0.00 0.00 0.00 179.25 179.93 2x1s h LEU 80 N 0.92 0.44 -1.01 0.00 3.38 -1.01 -0.19 115.31 117.84 2x1s h LEU 80 Ca 0.20 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2x1s h LEU 80 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2x1s h LEU 80 CO -0.00 0.38 0.12 0.00 0.09 0.00 0.00 178.44 179.03 2x1s h ALA 81 N 1.08 1.20 -0.54 1.53 0.00 -1.16 -1.17 119.26 120.20 2x1s h ALA 81 Ca 0.13 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2x1s h ALA 81 Cb 0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2x1s h ALA 81 CO -0.02 0.55 -0.09 1.03 0.00 0.00 0.00 179.25 180.71 2x1s h SER 82 N 0.81 1.01 -0.37 0.00 0.87 -0.90 -0.58 113.55 114.39 2x1s h SER 82 Ca 0.18 -0.35 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 2x1s h SER 82 Cb 0.31 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2x1s h SER 82 CO -0.00 1.12 0.22 -0.07 -0.53 0.00 0.00 176.83 177.57 2x1s h LEU 83 N 0.88 0.35 -0.31 2.23 3.38 -0.66 -1.10 115.31 120.09 2x1s h LEU 83 Ca 0.14 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2x1s h LEU 83 Cb 0.66 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2x1s h LEU 83 CO 0.05 0.26 0.00 0.11 0.09 0.00 0.00 178.44 178.95 2x1s h LYS 84 N 0.44 0.09 -0.13 1.13 1.79 -0.96 -1.41 116.57 117.53 2x1s h LYS 84 Ca 0.14 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2x1s h LYS 84 Cb -0.00 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2x1s h LYS 84 CO -0.06 0.06 0.09 -0.44 -1.08 0.00 0.00 179.45 178.01 2x1s h ASP 85 N 0.09 0.12 0.89 0.86 3.32 -0.69 -0.35 116.42 120.67 2x1s h ASP 85 Ca 0.15 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2x1s h ASP 85 Cb 0.20 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2x1s h ASP 85 CO -0.25 0.09 0.00 0.33 -1.72 0.00 0.00 179.24 177.69 2x1s n PHE 86 N -4.52 0.24 -0.05 4.55 7.35 -0.45 -4.88 117.46 119.70 2x1s n PHE 86 Ca -0.01 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 2x1s n PHE 86 Cb 0.11 -0.63 0.00 0.00 0.35 0.00 0.00 39.48 39.30 2x1s n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1s n GLY 87 N 0.83 0.97 3.62 7.13 0.00 -0.14 -5.08 105.19 112.53 2x1s n GLY 87 Ca 0.05 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2x1s n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1s s VAL 88 N -2.00 5.20 -0.45 1.61 1.01 -0.67 -4.95 120.40 120.14 2x1s s VAL 88 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.58 2x1s s VAL 88 Cb 0.00 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2x1s s VAL 88 CO 0.00 0.19 0.48 0.59 0.00 0.00 0.00 175.10 176.36 2x1s n ASN 89 N 5.11 0.97 -4.34 3.32 5.03 -1.26 -3.65 115.26 120.43 2x1s n ASN 89 Ca -0.09 -0.99 -0.22 0.00 0.87 0.00 0.00 54.58 54.15 2x1s n ASN 89 Cb 0.51 0.35 -0.11 0.00 -1.02 0.00 0.00 39.78 39.51 2x1s n ASN 89 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2x1s s TRP 90 N -0.74 1.85 -0.07 3.10 0.52 -1.25 -0.54 118.94 121.81 2x1s s TRP 90 Ca 0.04 -0.46 -0.19 0.00 0.02 0.00 0.00 56.10 55.51 2x1s s TRP 90 Cb 0.04 -0.92 0.04 0.00 -1.15 0.00 0.00 33.47 31.47 2x1s s TRP 90 CO 0.10 0.34 0.44 -1.50 0.02 0.00 0.00 176.95 176.35 2x1s s ILE 91 N -2.01 0.03 -0.15 2.03 2.07 -0.48 -1.80 121.20 120.88 2x1s s ILE 91 Ca 0.16 -0.22 -0.04 0.00 -1.41 0.00 0.00 60.65 59.14 2x1s s ILE 91 Cb -0.06 -0.71 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 2x1s s ILE 91 CO 0.07 -0.12 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.27 2x1s s VAL 92 N -0.81 4.13 0.04 4.00 1.01 -0.59 -0.86 120.40 127.32 2x1s s VAL 92 Ca -0.09 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.64 2x1s s VAL 92 Cb -0.03 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2x1s s VAL 92 CO 0.04 0.51 -0.10 -0.76 0.00 0.00 0.00 175.10 174.79 2x1s s LEU 93 N 0.12 2.20 0.00 3.92 1.43 -0.41 -0.94 118.68 124.99 2x1s s LEU 93 Ca 0.01 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2x1s s LEU 93 Cb -0.13 -0.35 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2x1s s LEU 93 CO 0.02 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.13 2x1s n GLY 94 N 1.78 0.56 3.58 -3.19 0.00 -1.26 -1.19 105.19 105.46 2x1s n GLY 94 Ca -0.20 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 2x1s n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1s n HIS 95 N -2.82 0.32 -0.36 1.61 -0.00 -1.26 -4.50 115.22 108.21 2x1s n HIS 95 Ca 0.00 0.39 -0.08 0.00 0.46 0.00 0.00 57.72 58.48 2x1s n HIS 95 Cb 0.00 -2.04 -0.07 0.00 -0.12 0.00 0.00 29.99 27.76 2x1s n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2x1s n SER 96 N -1.32 -0.86 0.25 0.26 3.41 -1.26 -0.87 113.62 113.24 2x1s n SER 96 Ca 0.12 1.53 0.12 0.00 -0.26 0.00 0.00 58.87 60.38 2x1s n SER 96 Cb 0.49 -0.22 0.66 0.00 -0.26 0.00 0.00 64.21 64.89 2x1s n SER 96 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2x1s h GLU 97 N 0.00 0.00 -0.96 4.33 9.09 -1.97 0.96 114.58 126.03 2x1s h GLU 97 Ca 0.16 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.62 2x1s h GLU 97 Cb 0.38 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.42 2x1s h GLU 97 CO -0.82 0.14 0.63 0.00 0.05 0.00 0.00 179.01 179.02 2x1s h ARG 98 N 0.00 1.14 0.06 1.06 2.47 -1.32 0.08 114.38 117.87 2x1s h ARG 98 Ca -0.00 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.53 2x1s h ARG 98 Cb 0.45 -0.26 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 2x1s h ARG 98 CO 0.02 0.75 -0.60 0.00 0.56 0.00 0.00 179.97 180.70 2x1s h ARG 99 N 1.17 0.13 0.00 0.04 3.08 -0.82 -0.27 114.38 117.71 2x1s h ARG 99 Ca 0.39 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2x1s h ARG 99 Cb 0.08 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2x1s h ARG 99 CO -0.13 1.11 -0.71 0.11 -1.07 0.00 0.00 179.97 179.27 2x1s h TRP 100 N -0.71 0.00 0.00 3.04 5.08 -1.25 -3.33 115.95 118.79 2x1s h TRP 100 Ca -0.13 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.73 2x1s h TRP 100 Cb 1.34 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.49 2x1s h TRP 100 CO 0.21 0.00 -1.17 0.98 -1.28 0.00 0.00 178.44 177.18 2x1s n TYR 101 N -2.27 0.00 1.07 0.12 9.36 -0.04 -4.78 117.16 120.61 2x1s n TYR 101 Ca 0.02 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.38 2x1s n TYR 101 Cb 0.47 -0.29 0.63 0.00 -0.63 0.00 0.00 39.34 39.52 2x1s n TYR 101 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2x1s n TYR 102 N -3.54 0.00 -0.81 2.98 4.01 -0.85 -4.90 117.16 114.04 2x1s n TYR 102 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 2x1s n TYR 102 Cb 0.49 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 2x1s n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x1s n GLY 103 N 1.30 0.51 3.59 2.72 0.00 -0.95 -4.99 105.19 107.37 2x1s n GLY 103 Ca 0.09 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2x1s n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1s s GLU 104 N -1.43 3.43 0.93 1.61 2.02 -0.15 -4.98 118.70 120.12 2x1s s GLU 104 Ca 0.00 0.85 -0.12 0.00 0.02 0.00 0.00 54.97 55.72 2x1s s GLU 104 Cb 0.00 -4.09 0.15 0.00 0.10 0.00 0.00 34.13 30.29 2x1s s GLU 104 CO 0.00 -1.75 1.11 0.95 0.02 0.00 0.00 175.26 175.59 2x1s s THR 105 N 5.94 2.25 0.29 3.63 -4.23 -1.26 -4.33 115.64 117.94 2x1s s THR 105 Ca 0.61 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 61.24 2x1s s THR 105 Cb -0.14 -2.70 0.29 0.00 1.34 0.00 0.00 72.50 71.29 2x1s s THR 105 CO 0.30 -0.11 1.68 0.78 -0.54 0.00 0.00 174.62 176.74 2x1s h ASN 106 N -1.61 0.25 0.01 3.99 2.35 -1.95 -0.66 115.58 117.95 2x1s h ASN 106 Ca -0.51 0.16 -0.21 0.00 -0.55 0.00 0.00 56.30 55.18 2x1s h ASN 106 Cb 1.32 0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.86 2x1s h ASN 106 CO 0.59 -0.04 -0.78 -0.33 -1.65 0.00 0.00 177.43 175.22 2x1s h GLU 107 N 0.35 0.65 -0.65 0.81 3.07 -1.92 -0.67 114.58 116.22 2x1s h GLU 107 Ca 0.55 -0.54 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 2x1s h GLU 107 Cb 1.06 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 2x1s h GLU 107 CO -0.55 1.16 0.09 0.82 -1.40 0.00 0.00 179.01 179.13 2x1s h ILE 108 N 0.44 1.26 -0.26 3.13 2.04 -1.69 -0.36 117.51 122.07 2x1s h ILE 108 Ca -0.05 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 2x1s h ILE 108 Cb 1.39 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2x1s h ILE 108 CO 0.15 0.39 0.00 0.58 0.00 0.00 0.00 178.15 179.27 2x1s h VAL 109 N 1.00 1.25 -0.79 1.67 2.07 -1.07 -2.03 116.25 118.36 2x1s h VAL 109 Ca 0.20 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.85 2x1s h VAL 109 Cb 0.45 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2x1s h VAL 109 CO 0.01 0.29 0.52 0.00 0.02 0.00 0.00 177.57 178.41 2x1s h ALA 110 N 0.82 1.56 -0.43 1.67 0.00 -0.84 -1.10 119.26 120.95 2x1s h ALA 110 Ca 0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2x1s h ALA 110 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2x1s h ALA 110 CO 0.01 0.34 -0.22 -0.44 0.00 0.00 0.00 179.25 178.95 2x1s h ASP 111 N 0.93 0.87 -0.40 0.00 3.32 -0.85 -1.44 116.42 118.85 2x1s h ASP 111 Ca 0.32 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2x1s h ASP 111 Cb 0.11 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2x1s h ASP 111 CO -0.10 1.06 0.06 0.11 -1.72 0.00 0.00 179.24 178.65 2x1s h LYS 112 N 0.74 0.66 -0.18 3.56 1.57 -0.60 -0.70 116.57 121.63 2x1s h LYS 112 Ca 0.10 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2x1s h LYS 112 Cb 0.75 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2x1s h LYS 112 CO 0.06 0.71 0.04 0.28 -0.57 0.00 0.00 179.45 179.97 2x1s h VAL 113 N 0.51 0.93 -0.58 0.50 2.07 -1.07 0.69 116.25 119.30 2x1s h VAL 113 Ca 0.12 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2x1s h VAL 113 Cb 0.38 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2x1s h VAL 113 CO 0.01 0.02 0.37 0.00 0.02 0.00 0.00 177.57 177.99 2x1s h ALA 114 N 1.12 0.74 -0.48 1.67 0.00 -1.18 -0.45 119.26 120.69 2x1s h ALA 114 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2x1s h ALA 114 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2x1s h ALA 114 CO -0.10 0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.48 2x1s h ALA 115 N 1.23 0.62 -0.17 0.00 0.00 -0.73 -1.33 119.26 118.87 2x1s h ALA 115 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2x1s h ALA 115 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2x1s h ALA 115 CO -0.07 0.21 0.07 0.00 0.00 0.00 0.00 179.25 179.46 2x1s h ALA 116 N 1.05 0.22 -0.89 0.00 0.00 -0.60 -1.44 119.26 117.59 2x1s h ALA 116 Ca 0.16 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2x1s h ALA 116 Cb 0.17 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2x1s h ALA 116 CO -0.02 -0.19 0.56 0.28 0.00 0.00 0.00 179.25 179.88 2x1s h VAL 117 N 0.12 1.02 -0.40 0.00 2.07 -0.98 -0.89 116.25 117.19 2x1s h VAL 117 Ca 0.06 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2x1s h VAL 117 Cb 0.18 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2x1s h VAL 117 CO -0.00 0.18 0.18 0.00 0.02 0.00 0.00 177.57 177.95 2x1s h ALA 118 N 1.43 1.58 -0.08 1.67 0.00 -0.89 -1.38 119.26 121.59 2x1s h ALA 118 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2x1s h ALA 118 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2x1s h ALA 118 CO -0.19 0.34 0.00 0.43 0.00 0.00 0.00 179.25 179.83 2x1s n SER 119 N -4.40 0.95 0.00 0.00 7.64 -0.41 -4.91 113.62 112.48 2x1s n SER 119 Ca 0.03 -1.52 0.00 0.00 1.01 0.00 0.00 58.87 58.39 2x1s n SER 119 Cb 0.12 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2x1s n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1s n GLY 120 N 1.01 1.06 3.90 0.23 0.00 -0.52 -4.91 105.19 105.97 2x1s n GLY 120 Ca 0.17 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2x1s n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1s s PHE 121 N -2.00 3.48 -0.01 1.61 0.40 -0.75 -4.93 117.98 115.78 2x1s s PHE 121 Ca 0.00 0.72 -0.22 0.00 -0.60 0.00 0.00 56.93 56.83 2x1s s PHE 121 Cb 0.00 -2.17 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 2x1s s PHE 121 CO 0.00 0.08 0.64 -1.64 0.70 0.00 0.00 175.22 175.00 2x1s s MET 122 N -3.75 4.37 -0.15 0.44 -1.94 0.30 -4.54 119.30 114.03 2x1s s MET 122 Ca 0.45 0.81 0.02 0.00 -1.71 0.00 0.00 55.69 55.26 2x1s s MET 122 Cb -0.10 -3.37 0.02 0.00 2.01 0.00 0.00 34.83 33.38 2x1s s MET 122 CO 0.32 0.29 -0.20 0.08 -0.01 0.00 0.00 175.02 175.50 2x1s s VAL 123 N 0.03 1.95 -0.51 -6.03 1.01 -0.05 -1.39 120.40 115.42 2x1s s VAL 123 Ca 0.33 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2x1s s VAL 123 Cb -0.18 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.51 2x1s s VAL 123 CO 0.18 0.53 0.61 -0.63 0.00 0.00 0.00 175.10 175.79 2x1s s ILE 124 N 1.09 4.91 -0.22 2.22 1.01 -0.04 -0.10 121.20 130.07 2x1s s ILE 124 Ca -0.01 -0.60 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 2x1s s ILE 124 Cb -0.14 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 2x1s s ILE 124 CO -0.07 -0.81 0.22 0.00 0.00 0.00 0.00 174.94 174.27 2x1s s ALA 125 N 2.53 3.61 -0.11 9.38 0.00 -0.15 -1.29 121.76 135.72 2x1s s ALA 125 Ca 0.14 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 2x1s s ALA 125 Cb -0.20 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 2x1s s ALA 125 CO 0.11 -0.15 0.17 0.00 0.00 0.00 0.00 175.76 175.89 2x1s s ILE 127 N -0.96 0.35 0.00 0.00 -4.36 -0.50 -4.62 121.20 111.11 2x1s s ILE 127 Ca 0.16 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 2x1s s ILE 127 Cb -0.12 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.08 2x1s s ILE 127 CO 0.05 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.77 2x1s n GLY 128 N -0.36 3.89 3.94 6.27 0.00 -1.26 -1.17 105.19 116.51 2x1s n GLY 128 Ca -0.00 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 2x1s n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1s s GLU 129 N -2.63 3.47 0.79 1.61 1.03 -1.26 -4.73 118.70 116.99 2x1s s GLU 129 Ca 0.00 -0.53 -0.09 0.00 0.03 0.00 0.00 54.97 54.37 2x1s s GLU 129 Cb 0.00 -2.89 0.11 0.00 -0.80 0.00 0.00 34.13 30.55 2x1s s GLU 129 CO 0.00 0.44 1.13 0.95 -1.33 0.00 0.00 175.26 176.44 2x1s s THR 130 N -1.88 2.13 0.17 1.83 -4.23 -1.26 -0.45 115.64 111.95 2x1s s THR 130 Ca 0.36 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 2x1s s THR 130 Cb -0.10 -2.95 0.07 0.00 1.34 0.00 0.00 72.50 70.86 2x1s s THR 130 CO 0.29 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.33 2x1s h LEU 131 N -0.96 0.86 -0.36 4.79 5.85 -1.97 -0.75 115.31 122.77 2x1s h LEU 131 Ca -0.44 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.10 2x1s h LEU 131 Cb 1.29 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2x1s h LEU 131 CO 0.53 0.83 0.22 -0.61 -0.34 0.00 0.00 178.44 179.07 2x1s h GLN 132 N 0.85 0.43 -0.44 1.25 -0.00 -1.98 0.86 115.11 116.08 2x1s h GLN 132 Ca 0.20 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 2x1s h GLN 132 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 2x1s h GLN 132 CO -0.01 0.29 0.23 0.93 0.00 0.00 0.00 178.83 180.27 2x1s h GLU 133 N 0.45 0.62 -0.22 1.69 5.08 -1.87 -0.18 114.58 120.14 2x1s h GLU 133 Ca 0.14 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2x1s h GLU 133 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2x1s h GLU 133 CO -0.05 0.50 0.08 -0.09 -1.00 0.00 0.00 179.01 178.45 2x1s h ARG 134 N 0.57 0.18 0.00 2.33 9.65 -0.91 0.19 114.38 126.39 2x1s h ARG 134 Ca 0.15 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2x1s h ARG 134 Cb 0.07 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2x1s h ARG 134 CO -0.02 0.12 -0.01 0.93 2.80 0.00 0.00 179.97 183.79 2x1s h GLU 135 N 0.19 0.00 -0.63 0.20 5.08 -0.46 -2.44 114.58 116.51 2x1s h GLU 135 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2x1s h GLU 135 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2x1s h GLU 135 CO -0.09 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 176.79 2x1s n SER 136 N -3.10 4.96 -0.65 1.42 3.41 -0.11 -4.94 113.62 114.61 2x1s n SER 136 Ca 0.01 -2.55 -0.07 0.00 -0.26 0.00 0.00 58.87 56.00 2x1s n SER 136 Cb 0.37 -0.60 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2x1s n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1s n GLY 137 N 1.01 0.65 1.16 5.00 0.00 -0.92 -4.91 105.19 107.17 2x1s n GLY 137 Ca 0.26 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.70 2x1s n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1s n ARG 138 N -2.42 2.97 -0.12 1.61 1.74 0.66 -4.63 116.66 116.47 2x1s n ARG 138 Ca -0.08 -2.53 -0.05 0.00 -0.77 0.00 0.00 57.85 54.42 2x1s n ARG 138 Cb 0.35 -1.55 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 2x1s n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1s h THR 139 N 3.47 0.43 -0.29 0.55 2.02 -1.83 -1.52 112.91 115.74 2x1s h THR 139 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2x1s h THR 139 Cb 1.02 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2x1s h THR 139 CO 0.05 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.98 2x1s h ALA 140 N 1.17 0.38 -0.70 6.16 0.00 -1.94 -0.58 119.26 123.75 2x1s h ALA 140 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x1s h ALA 140 Cb 0.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2x1s h ALA 140 CO -0.48 0.08 0.43 0.28 0.00 0.00 0.00 179.25 179.56 2x1s h VAL 141 N 0.29 1.20 0.36 0.00 2.07 -1.84 -1.72 116.25 116.61 2x1s h VAL 141 Ca 0.09 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2x1s h VAL 141 Cb 0.35 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2x1s h VAL 141 CO 0.01 0.21 -0.17 0.58 0.02 0.00 0.00 177.57 178.21 2x1s h VAL 142 N 0.96 0.63 -0.95 2.57 2.07 -1.03 -1.06 116.25 119.43 2x1s h VAL 142 Ca 0.25 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2x1s h VAL 142 Cb -0.03 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2x1s h VAL 142 CO -0.05 0.08 0.63 0.58 0.02 0.00 0.00 177.57 178.83 2x1s h VAL 143 N -0.74 1.20 -0.01 2.57 2.07 -1.10 -1.41 116.25 118.83 2x1s h VAL 143 Ca -0.05 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 66.91 2x1s h VAL 143 Cb 0.50 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2x1s h VAL 143 CO 0.08 0.23 -0.62 -0.07 0.02 0.00 0.00 177.57 177.21 2x1s h LEU 144 N 1.25 0.04 -0.21 2.57 3.38 -1.31 -2.59 115.31 118.44 2x1s h LEU 144 Ca 0.37 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 2x1s h LEU 144 Cb -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2x1s h LEU 144 CO -0.10 0.65 -0.21 0.74 0.09 0.00 0.00 178.44 179.61 2x1s h THR 145 N 0.03 1.33 -0.68 0.22 2.02 -0.59 -1.58 112.91 113.65 2x1s h THR 145 Ca -0.01 -1.38 0.02 0.00 0.77 0.00 0.00 66.41 65.82 2x1s h THR 145 Cb 1.10 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 2x1s h THR 145 CO 0.08 0.42 0.43 1.56 0.37 0.00 0.00 175.52 178.39 2x1s h GLN 146 N 0.18 0.83 0.04 6.66 4.20 -1.24 -2.17 115.11 123.61 2x1s h GLN 146 Ca 0.03 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.47 2x1s h GLN 146 Cb 0.76 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2x1s h GLN 146 CO 0.05 0.55 -1.01 0.97 -0.67 0.00 0.00 178.83 178.72 2x1s h ILE 147 N 0.86 1.55 -0.94 2.54 2.10 -1.47 -2.99 117.51 119.15 2x1s h ILE 147 Ca 0.27 -2.93 0.06 0.00 1.08 0.00 0.00 64.86 63.34 2x1s h ILE 147 Cb -0.01 2.69 -0.06 0.00 -1.09 0.00 0.00 36.82 38.34 2x1s h ILE 147 CO -0.09 0.85 0.60 0.00 -1.08 0.00 0.00 178.15 178.43 2x1s h ALA 148 N 0.86 1.29 -0.63 0.18 0.00 -1.10 0.16 119.26 120.03 2x1s h ALA 148 Ca -0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2x1s h ALA 148 Cb 1.70 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2x1s h ALA 148 CO 0.15 0.39 0.26 0.00 0.00 0.00 0.00 179.25 180.05 2x1s h ALA 149 N 1.43 0.82 0.06 0.00 0.00 -1.37 -0.46 119.26 119.75 2x1s h ALA 149 Ca 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2x1s h ALA 149 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2x1s h ALA 149 CO -0.17 0.43 -0.03 0.82 0.00 0.00 0.00 179.25 180.31 2x1s h ILE 150 N 0.89 1.05 -0.23 0.00 2.04 -1.21 -3.00 117.51 117.05 2x1s h ILE 150 Ca 0.21 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2x1s h ILE 150 Cb 0.19 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2x1s h ILE 150 CO -0.02 0.09 0.15 0.00 0.00 0.00 0.00 178.15 178.37 2x1s h ALA 151 N 0.69 1.90 0.00 1.87 0.00 -0.50 -1.97 119.26 121.25 2x1s h ALA 151 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2x1s h ALA 151 Cb 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2x1s h ALA 151 CO 0.01 0.08 -0.09 -0.22 0.00 0.00 0.00 179.25 179.04 2x1s h LYS 152 N 0.26 0.00 -0.36 0.00 3.64 -0.93 -2.54 116.57 116.63 2x1s h LYS 152 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2x1s h LYS 152 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2x1s h LYS 152 CO -0.02 0.09 0.00 1.63 -2.27 0.00 0.00 179.45 178.88 2x1s n LYS 153 N -3.54 2.36 -4.40 1.90 4.76 -0.74 -4.95 118.16 113.55 2x1s n LYS 153 Ca -0.02 -2.17 -0.24 0.00 -2.87 0.00 0.00 58.31 53.01 2x1s n LYS 153 Cb 0.22 -1.46 -0.09 0.00 -1.84 0.00 0.00 35.03 31.86 2x1s n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1s s LEU 154 N -1.34 2.89 0.38 -0.35 1.43 -0.96 -4.75 118.68 115.97 2x1s s LEU 154 Ca 0.35 -0.99 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 2x1s s LEU 154 Cb 0.20 -1.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 2x1s s LEU 154 CO 0.28 -0.14 0.17 -1.59 0.23 0.00 0.00 176.35 175.30 2x1s s LYS 155 N -3.65 2.30 0.22 1.70 -2.85 -1.26 -4.97 119.74 111.22 2x1s s LYS 155 Ca 0.33 -1.69 -0.08 0.00 -1.00 0.00 0.00 55.97 53.53 2x1s s LYS 155 Cb -0.02 -2.09 0.32 0.00 -2.06 0.00 0.00 37.83 33.98 2x1s s LYS 155 CO 0.18 -0.01 1.74 -0.22 0.10 0.00 0.00 175.35 177.14 2x1s h LYS 156 N 1.47 0.42 -0.04 1.78 3.64 -1.95 -0.53 116.57 121.36 2x1s h LYS 156 Ca -0.43 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2x1s h LYS 156 Cb 1.25 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2x1s h LYS 156 CO 0.66 0.28 0.05 0.00 -2.27 0.00 0.00 179.45 178.17 2x1s h ALA 157 N 1.45 1.51 0.00 5.00 0.00 -2.00 -2.60 119.26 122.61 2x1s h ALA 157 Ca 0.33 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2x1s h ALA 157 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2x1s h ALA 157 CO -0.32 -0.07 -0.20 -0.44 0.00 0.00 0.00 179.25 178.22 2x1s h ASP 158 N 0.00 0.00 0.68 0.00 3.32 -1.49 -3.09 116.42 115.84 2x1s h ASP 158 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2x1s h ASP 158 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2x1s h ASP 158 CO -0.00 0.20 0.00 -0.50 -1.72 0.00 0.00 179.24 177.21 2x1s h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.59 -0.65 115.95 122.32 2x1s h TRP 159 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 2x1s h TRP 159 Cb 0.46 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.62 2x1s h TRP 159 CO 0.00 0.00 -0.01 0.00 -3.56 0.00 0.00 178.44 174.87 2x1s h ALA 160 N 2.17 1.02 -0.45 1.49 0.00 -1.76 -2.06 119.26 119.66 2x1s h ALA 160 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x1s h ALA 160 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2x1s h ALA 160 CO 0.00 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.89 2x1s n LYS 161 N -3.12 2.81 -4.95 0.00 4.76 -0.25 -4.99 118.16 112.42 2x1s n LYS 161 Ca -0.02 -2.22 -0.32 0.00 -2.87 0.00 0.00 58.31 52.88 2x1s n LYS 161 Cb 0.17 -1.35 -0.14 0.00 -1.84 0.00 0.00 35.03 31.87 2x1s n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1s s VAL 162 N -1.00 2.89 -0.03 -0.18 1.01 -0.78 -0.87 120.40 121.44 2x1s s VAL 162 Ca 0.31 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2x1s s VAL 162 Cb 0.16 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 2x1s s VAL 162 CO 0.21 0.58 -0.13 -0.69 0.00 0.00 0.00 175.10 175.07 2x1s s VAL 163 N -0.72 1.09 -0.18 2.92 1.01 0.85 -4.60 120.40 120.77 2x1s s VAL 163 Ca 0.11 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2x1s s VAL 163 Cb -0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2x1s s VAL 163 CO 0.00 0.32 0.10 -0.63 0.00 0.00 0.00 175.10 174.90 2x1s s ILE 164 N 0.07 5.11 -0.29 2.22 -1.09 -0.60 -0.98 121.20 125.63 2x1s s ILE 164 Ca -0.02 0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.43 2x1s s ILE 164 Cb -0.09 -3.31 0.02 0.00 -1.58 0.00 0.00 42.46 37.50 2x1s s ILE 164 CO 0.01 0.47 0.04 0.00 -1.23 0.00 0.00 174.94 174.22 2x1s s ALA 165 N 0.23 2.93 -0.28 9.38 0.00 -0.02 -0.32 121.76 133.68 2x1s s ALA 165 Ca 0.06 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.25 2x1s s ALA 165 Cb -0.12 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 2x1s s ALA 165 CO -0.01 -1.02 0.76 -0.47 0.00 0.00 0.00 175.76 175.03 2x1s s TYR 166 N 1.40 3.24 -0.23 0.00 5.04 0.42 -1.41 117.35 125.81 2x1s s TYR 166 Ca 0.00 0.87 -0.02 0.00 -2.44 0.00 0.00 57.07 55.48 2x1s s TYR 166 Cb -0.18 -3.10 0.07 0.00 0.35 0.00 0.00 41.96 39.10 2x1s s TYR 166 CO 0.00 -0.48 0.05 -1.21 -1.34 0.00 0.00 175.55 172.57 2x1s s GLU 167 N 2.83 0.71 0.10 4.97 2.02 -0.32 -1.69 118.70 127.32 2x1s s GLU 167 Ca 0.31 -0.60 -0.31 0.00 0.02 0.00 0.00 54.97 54.39 2x1s s GLU 167 Cb -0.15 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 2x1s s GLU 167 CO 0.11 -0.73 1.73 -2.14 0.02 0.00 0.00 175.26 174.24 2x1s s PRO 168 N 1.79 4.17 0.33 0.39 0.02 -1.25 -4.22 135.00 136.23 2x1s s PRO 168 Ca 0.01 2.45 0.04 0.00 0.02 0.00 0.00 61.00 63.52 2x1s s PRO 168 Cb -0.17 -3.58 0.65 0.00 0.02 0.00 0.00 34.50 31.42 2x1s s PRO 168 CO -0.13 -0.78 1.91 0.28 -0.33 0.00 0.00 177.00 177.95 2x1s h VAL 169 N 4.73 0.99 0.00 3.83 2.07 -1.05 0.72 116.25 127.55 2x1s h VAL 169 Ca -0.44 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2x1s h VAL 169 Cb 1.21 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2x1s h VAL 169 CO 0.94 0.16 0.00 -2.67 0.02 0.00 0.00 177.57 176.02 2x1s n TRP 170 N -4.51 0.20 0.97 1.57 4.27 -1.26 -2.13 117.44 116.55 2x1s n TRP 170 Ca 0.14 0.09 0.10 0.00 -3.89 0.00 0.00 57.50 53.95 2x1s n TRP 170 Cb 0.28 -0.65 -0.04 0.00 -1.36 0.00 0.00 31.31 29.54 2x1s n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2x1s n ALA 171 N -1.57 3.91 -2.62 -1.67 0.00 0.24 -4.63 120.51 114.17 2x1s n ALA 171 Ca 0.01 -0.62 -0.43 0.00 0.00 0.00 0.00 53.44 52.41 2x1s n ALA 171 Cb 0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 2x1s n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1s s ILE 172 N -2.59 4.61 0.00 0.00 1.01 -0.90 -1.30 121.20 122.03 2x1s s ILE 172 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2x1s s ILE 172 Cb 0.17 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2x1s s ILE 172 CO 0.65 -0.87 0.00 0.61 0.00 0.00 0.00 174.94 175.33 2x1s n GLY 173 N 5.07 0.70 0.00 6.18 0.00 -1.26 -4.88 105.19 111.00 2x1s n GLY 173 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2x1s n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1s n THR 174 N -2.55 0.00 -0.64 2.61 -2.24 -1.26 -4.97 114.28 105.23 2x1s n THR 174 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2x1s n THR 174 Cb 0.00 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2x1s n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1s n GLY 175 N 1.40 1.58 3.38 3.38 0.00 -1.26 -4.97 105.19 108.71 2x1s n GLY 175 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 2x1s n GLY 175 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x1s s LYS 176 N -0.04 3.67 0.47 1.61 2.20 -1.26 -5.01 119.74 121.38 2x1s s LYS 176 Ca 0.00 -2.28 -0.21 0.00 -0.36 0.00 0.00 55.97 53.12 2x1s s LYS 176 Cb 0.00 -4.64 -0.09 0.00 -1.51 0.00 0.00 37.83 31.58 2x1s s LYS 176 CO 0.00 -1.48 1.01 0.54 -0.36 0.00 0.00 175.35 175.06 2x1s s VAL 177 N 1.01 4.00 0.38 4.02 0.11 -1.26 -4.18 120.40 124.49 2x1s s VAL 177 Ca 0.25 1.25 -0.27 0.00 -2.93 0.00 0.00 61.98 60.28 2x1s s VAL 177 Cb -0.08 -3.50 -0.10 0.00 -1.53 0.00 0.00 36.38 31.17 2x1s s VAL 177 CO -0.09 -0.27 1.38 0.00 -3.33 0.00 0.00 175.10 172.80 2x1s s ALA 178 N -2.05 3.42 0.82 1.54 0.00 -1.26 -5.00 121.76 119.23 2x1s s ALA 178 Ca 0.65 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.90 2x1s s ALA 178 Cb -0.14 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.52 2x1s s ALA 178 CO 0.17 -0.91 1.09 0.95 0.00 0.00 0.00 175.76 177.07 2x1s s THR 179 N -1.17 3.08 0.27 0.00 -4.23 -1.26 -4.77 115.64 107.55 2x1s s THR 179 Ca 0.54 0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 61.39 2x1s s THR 179 Cb -0.42 -2.82 0.27 0.00 1.34 0.00 0.00 72.50 70.87 2x1s s THR 179 CO 0.56 -0.46 1.86 -0.65 -0.54 0.00 0.00 174.62 175.39 2x1s h PRO 180 N -1.29 1.07 -0.67 3.99 0.11 -1.94 -0.97 132.00 132.30 2x1s h PRO 180 Ca -0.45 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2x1s h PRO 180 Cb 1.25 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2x1s h PRO 180 CO 0.52 0.71 0.11 0.37 -0.21 0.00 0.00 178.00 179.50 2x1s h GLN 181 N 1.10 1.11 -0.42 1.05 4.15 -1.98 -0.09 115.11 120.03 2x1s h GLN 181 Ca 0.45 -0.30 -0.09 0.00 0.77 0.00 0.00 58.65 59.48 2x1s h GLN 181 Cb 0.28 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2x1s h GLN 181 CO -0.21 1.02 -0.09 1.96 -1.93 0.00 0.00 178.83 179.58 2x1s h GLN 182 N 1.03 0.80 -0.29 1.69 4.20 -1.74 -1.45 115.11 119.36 2x1s h GLN 182 Ca 0.20 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 2x1s h GLN 182 Cb 0.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2x1s h GLN 182 CO 0.01 0.92 -0.01 0.00 -0.67 0.00 0.00 178.83 179.09 2x1s h ALA 183 N 0.86 0.39 -0.65 3.87 0.00 -1.05 -2.41 119.26 120.27 2x1s h ALA 183 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2x1s h ALA 183 Cb 0.62 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2x1s h ALA 183 CO 0.04 0.15 0.32 0.37 0.00 0.00 0.00 179.25 180.12 2x1s h GLN 184 N 0.31 0.93 -0.82 0.00 5.75 -0.99 -1.17 115.11 119.12 2x1s h GLN 184 Ca 0.08 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 2x1s h GLN 184 Cb 0.44 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 2x1s h GLN 184 CO 0.02 0.74 0.39 0.93 -2.65 0.00 0.00 178.83 178.25 2x1s h GLU 185 N 0.89 1.19 -0.23 1.69 5.08 -1.21 0.12 114.58 122.11 2x1s h GLU 185 Ca 0.22 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2x1s h GLU 185 Cb 0.11 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2x1s h GLU 185 CO -0.03 0.92 -0.19 0.00 -1.00 0.00 0.00 179.01 178.71 2x1s h ALA 186 N 1.24 0.33 -0.79 3.43 0.00 -1.10 -1.84 119.26 120.54 2x1s h ALA 186 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2x1s h ALA 186 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2x1s h ALA 186 CO -0.03 0.25 0.41 0.45 0.00 0.00 0.00 179.25 180.32 2x1s h HIS 187 N 0.23 1.11 -0.49 0.00 3.86 -1.05 -1.49 115.15 117.32 2x1s h HIS 187 Ca 0.04 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2x1s h HIS 187 Cb 0.73 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 2x1s h HIS 187 CO 0.07 0.79 -0.11 0.00 0.86 0.00 0.00 177.93 179.55 2x1s h ALA 188 N 1.21 0.89 -0.44 2.45 0.00 -0.71 -0.74 119.26 121.92 2x1s h ALA 188 Ca 0.27 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2x1s h ALA 188 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2x1s h ALA 188 CO -0.04 0.64 0.26 1.25 0.00 0.00 0.00 179.25 181.35 2x1s h LEU 189 N 0.80 0.54 0.04 0.00 5.85 -1.02 -1.20 115.31 120.31 2x1s h LEU 189 Ca 0.13 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2x1s h LEU 189 Cb 0.63 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2x1s h LEU 189 CO 0.04 0.45 -0.02 0.40 -0.34 0.00 0.00 178.44 178.98 2x1s h ILE 190 N 0.58 1.03 -0.66 4.05 2.04 -0.94 -2.36 117.51 121.26 2x1s h ILE 190 Ca 0.16 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2x1s h ILE 190 Cb 0.02 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 2x1s h ILE 190 CO -0.03 0.05 0.16 -0.09 0.00 0.00 0.00 178.15 178.25 2x1s h ARG 191 N -0.15 1.03 -0.71 2.37 2.43 -1.05 -1.15 114.38 117.17 2x1s h ARG 191 Ca -0.01 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 2x1s h ARG 191 Cb 0.13 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2x1s h ARG 191 CO 0.01 0.91 0.44 1.03 -1.51 0.00 0.00 179.97 180.85 2x1s h SER 192 N 0.99 0.73 -0.34 -3.80 0.87 -1.14 0.64 113.55 111.50 2x1s h SER 192 Ca 0.21 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2x1s h SER 192 Cb 0.34 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2x1s h SER 192 CO -0.00 0.50 0.11 -0.25 -0.53 0.00 0.00 176.83 176.66 2x1s h TRP 193 N 0.87 0.54 -0.83 2.24 7.01 -0.86 -2.04 115.95 122.88 2x1s h TRP 193 Ca 0.28 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.25 2x1s h TRP 193 Cb 0.02 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 2x1s h TRP 193 CO -0.04 0.53 0.54 0.28 -2.79 0.00 0.00 178.44 176.96 2x1s h VAL 194 N 0.39 1.17 0.32 2.65 2.07 -0.84 -0.80 116.25 121.21 2x1s h VAL 194 Ca 0.11 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2x1s h VAL 194 Cb 0.25 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2x1s h VAL 194 CO -0.00 0.20 -0.21 -1.28 0.02 0.00 0.00 177.57 176.29 2x1s h SER 195 N 1.08 -0.53 -0.61 0.57 0.87 -0.64 0.19 113.55 114.48 2x1s h SER 195 Ca 0.32 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 2x1s h SER 195 Cb -0.07 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2x1s h SER 195 CO -0.09 -0.33 0.23 0.28 -0.53 0.00 0.00 176.83 176.39 2x1s h SER 196 N -0.52 0.86 0.33 6.23 0.02 -1.19 -2.38 113.55 116.90 2x1s h SER 196 Ca -0.03 -0.18 -0.31 0.00 -0.84 0.00 0.00 61.79 60.43 2x1s h SER 196 Cb 0.44 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 2x1s h SER 196 CO 0.02 0.81 -1.93 0.29 -1.14 0.00 0.00 176.83 174.88 2x1s n LYS 197 N -4.43 0.65 -0.08 3.45 4.76 -0.32 -4.63 118.16 117.55 2x1s n LYS 197 Ca 0.04 0.18 -0.15 0.00 -2.87 0.00 0.00 58.31 55.51 2x1s n LYS 197 Cb 0.18 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 31.60 2x1s n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x1s n ILE 198 N -2.93 0.94 0.00 -0.18 2.08 0.60 -5.07 119.36 114.80 2x1s n ILE 198 Ca -0.22 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 62.80 2x1s n ILE 198 Cb 1.07 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 38.53 2x1s n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1s n GLY 199 N 2.28 4.38 0.30 7.39 0.00 -0.81 -4.90 105.19 113.83 2x1s n GLY 199 Ca -0.32 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2x1s n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1s h ALA 200 N 0.00 1.42 -0.00 4.61 0.00 -1.82 -1.13 119.26 122.34 2x1s h ALA 200 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2x1s h ALA 200 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2x1s h ALA 200 CO 0.00 0.44 0.00 0.38 0.00 0.00 0.00 179.25 180.07 2x1s h ASP 201 N 0.71 0.01 -0.69 0.00 3.04 -1.94 -0.90 116.42 116.64 2x1s h ASP 201 Ca 0.17 -0.17 0.06 0.00 -3.24 0.00 0.00 57.03 53.85 2x1s h ASP 201 Cb 0.14 -0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.37 2x1s h ASP 201 CO -0.02 0.18 0.40 0.58 -2.04 0.00 0.00 179.24 178.33 2x1s h VAL 202 N -0.16 0.99 -0.59 4.15 2.07 -1.86 -2.57 116.25 118.27 2x1s h VAL 202 Ca 0.00 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2x1s h VAL 202 Cb 0.17 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2x1s h VAL 202 CO -0.00 0.13 0.23 0.00 0.02 0.00 0.00 177.57 177.95 2x1s h ALA 203 N 1.35 1.30 -0.14 1.67 0.00 -0.93 -1.66 119.26 120.84 2x1s h ALA 203 Ca 0.31 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 2x1s h ALA 203 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2x1s h ALA 203 CO -0.17 0.52 -0.36 0.78 0.00 0.00 0.00 179.25 180.02 2x1s h GLY 204 N 0.96 0.33 0.59 0.00 0.00 -0.77 -3.17 103.07 101.01 2x1s h GLY 204 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2x1s h GLY 204 CO -0.02 0.27 -0.75 1.18 0.00 0.00 0.00 176.54 177.22 2x1s n GLU 205 N -4.06 0.04 -2.24 4.80 1.02 -1.01 -4.57 120.64 114.61 2x1s n GLU 205 Ca -0.01 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 2x1s n GLU 205 Cb 0.45 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 2x1s n GLU 205 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2x1s s LEU 206 N -3.13 4.36 -0.19 -4.62 2.96 -0.66 -4.85 118.68 112.55 2x1s s LEU 206 Ca 0.09 2.21 -0.24 0.00 -0.22 0.00 0.00 54.13 55.97 2x1s s LEU 206 Cb 0.17 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 2x1s s LEU 206 CO 0.77 -0.62 0.78 -0.13 -1.32 0.00 0.00 176.35 175.84 2x1s s ARG 207 N 1.32 4.25 -0.26 1.98 3.00 -1.26 -4.93 118.95 123.05 2x1s s ARG 207 Ca 0.63 0.90 -0.02 0.00 0.00 0.00 0.00 55.73 57.24 2x1s s ARG 207 Cb -0.34 -3.59 0.03 0.00 0.00 0.00 0.00 34.95 31.04 2x1s s ARG 207 CO 0.29 -0.35 -0.04 0.42 0.00 0.00 0.00 175.30 175.63 2x1s s ILE 208 N 2.25 3.04 -0.01 1.52 1.01 -1.26 -1.56 121.20 126.19 2x1s s ILE 208 Ca 0.35 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 2x1s s ILE 208 Cb -0.16 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2x1s s ILE 208 CO 0.11 0.16 0.16 -0.76 0.00 0.00 0.00 174.94 174.60 2x1s s LEU 209 N 1.34 4.26 -0.03 2.97 1.43 0.57 -0.99 118.68 128.23 2x1s s LEU 209 Ca 0.00 0.30 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 2x1s s LEU 209 Cb -0.17 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2x1s s LEU 209 CO -0.03 0.27 0.22 -0.47 0.23 0.00 0.00 176.35 176.57 2x1s s TYR 210 N -1.29 3.59 0.02 0.29 5.04 -0.32 -0.44 117.35 124.24 2x1s s TYR 210 Ca 0.26 0.54 -0.06 0.00 -2.44 0.00 0.00 57.07 55.36 2x1s s TYR 210 Cb -0.12 -1.96 -0.00 0.00 0.35 0.00 0.00 41.96 40.22 2x1s s TYR 210 CO 0.17 0.66 0.11 0.20 -1.34 0.00 0.00 175.55 175.36 2x1s s GLY 211 N -1.53 0.10 0.00 8.97 0.00 -0.68 -1.24 107.32 112.94 2x1s s GLY 211 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2x1s s GLY 211 CO 0.13 -0.44 0.00 0.61 0.00 0.00 0.00 173.10 173.40 2x1s n GLY 212 N 1.22 1.65 2.56 0.20 0.00 -1.25 -3.88 105.19 105.68 2x1s n GLY 212 Ca -0.22 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 2x1s n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x1s n SER 213 N 0.00 -5.79 -4.77 1.61 7.64 -0.42 -4.31 113.62 107.59 2x1s n SER 213 Ca 0.00 -0.10 -0.39 0.00 1.01 0.00 0.00 58.87 59.39 2x1s n SER 213 Cb 0.00 -4.75 -0.02 0.00 -1.01 0.00 0.00 64.21 58.43 2x1s n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1s s VAL 214 N -3.05 2.95 0.24 0.44 1.01 -1.26 -4.59 120.40 116.14 2x1s s VAL 214 Ca 0.09 0.86 0.04 0.00 0.00 0.00 0.00 61.98 62.97 2x1s s VAL 214 Cb -0.04 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2x1s s VAL 214 CO 0.11 0.13 0.23 -0.46 0.00 0.00 0.00 175.10 175.12 2x1s n ASN 215 N 0.34 -0.61 0.08 3.32 0.23 -1.26 -4.90 115.26 112.47 2x1s n ASN 215 Ca 0.03 -2.50 0.02 0.00 -0.53 0.00 0.00 54.58 51.59 2x1s n ASN 215 Cb 0.45 1.32 0.37 0.00 -2.08 0.00 0.00 39.78 39.83 2x1s n ASN 215 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2x1s h GLY 216 N 1.43 0.36 0.31 4.83 0.00 -1.87 -1.64 103.07 106.49 2x1s h GLY 216 Ca -0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2x1s h GLY 216 CO 0.25 0.20 -0.03 0.50 0.00 0.00 0.00 176.54 177.45 2x1s h LYS 217 N 0.32 0.03 0.00 4.80 1.57 -1.97 -3.36 116.57 117.96 2x1s h LYS 217 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2x1s h LYS 217 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2x1s h LYS 217 CO 0.02 0.74 -0.41 0.27 -0.57 0.00 0.00 179.45 179.50 2x1s n ASN 218 N -4.71 0.62 -0.24 0.86 0.23 -1.21 -4.14 115.26 106.67 2x1s n ASN 218 Ca -0.09 0.19 -0.06 0.00 -0.53 0.00 0.00 54.58 54.09 2x1s n ASN 218 Cb 0.37 -0.09 0.08 0.00 -2.08 0.00 0.00 39.78 38.06 2x1s n ASN 218 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2x1s h ALA 219 N 2.65 1.02 0.09 -2.53 0.00 -1.44 -2.62 119.26 116.42 2x1s h ALA 219 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2x1s h ALA 219 Cb 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2x1s h ALA 219 CO 0.00 0.65 -0.04 -0.09 0.00 0.00 0.00 179.25 179.76 2x1s h ARG 220 N 1.04 -0.12 -0.78 0.00 9.65 -1.77 0.58 114.38 122.98 2x1s h ARG 220 Ca 0.22 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 2x1s h ARG 220 Cb 0.34 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 2x1s h ARG 220 CO -0.00 -0.08 0.31 1.15 2.80 0.00 0.00 179.97 184.15 2x1s h THR 221 N -0.12 1.26 -0.28 0.20 2.02 -1.80 -2.41 112.91 111.78 2x1s h THR 221 Ca -0.01 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.37 2x1s h THR 221 Cb 0.09 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2x1s h THR 221 CO 0.02 0.33 0.17 -0.07 0.37 0.00 0.00 175.52 176.34 2x1s h LEU 222 N 1.13 0.28 -1.96 2.58 3.38 -1.11 -2.76 115.31 116.86 2x1s h LEU 222 Ca 0.26 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2x1s h LEU 222 Cb 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2x1s h LEU 222 CO -0.02 0.21 -0.11 0.22 0.09 0.00 0.00 178.44 178.82 2x1s h TYR 223 N 0.35 0.00 0.00 1.13 3.20 -0.59 -2.16 116.97 118.90 2x1s h TYR 223 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2x1s h TYR 223 Cb -0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2x1s h TYR 223 CO -0.07 0.11 0.00 1.96 -1.64 0.00 0.00 178.16 178.52 2x1s h GLN 224 N 0.00 0.00 -6.90 1.82 1.08 -1.13 -3.44 115.11 106.53 2x1s h GLN 224 Ca -0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 2x1s h GLN 224 Cb 0.27 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.76 2x1s h GLN 224 CO 0.01 0.00 0.57 -0.65 -0.95 0.00 0.00 178.83 177.82 2x1s s GLN 225 N -3.57 4.22 0.33 1.46 -1.52 -0.82 -4.90 119.66 114.86 2x1s s GLN 225 Ca 0.00 2.04 0.09 0.00 -1.95 0.00 0.00 55.36 55.55 2x1s s GLN 225 Cb 0.09 -2.91 0.84 0.00 -0.22 0.00 0.00 33.01 30.81 2x1s s GLN 225 CO 0.35 -0.24 1.78 0.07 -0.25 0.00 0.00 175.29 177.01 2x1s h ARG 226 N 3.07 0.65 -0.38 2.91 0.11 -1.90 -2.72 114.38 116.12 2x1s h ARG 226 Ca -0.49 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.55 2x1s h ARG 226 Cb 1.23 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2x1s h ARG 226 CO 0.64 0.43 0.00 -0.25 0.10 0.00 0.00 179.97 180.89 2x1s n ASP 227 N -4.73 3.82 -4.63 0.08 8.00 -1.26 -4.92 116.55 112.91 2x1s n ASP 227 Ca 0.23 -2.54 -0.37 0.00 0.71 0.00 0.00 54.79 52.82 2x1s n ASP 227 Cb 0.64 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 2x1s n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2x1s s VAL 228 N -1.99 5.33 -0.26 2.53 1.01 -1.03 -4.64 120.40 121.36 2x1s s VAL 228 Ca 0.38 0.21 0.16 0.00 0.00 0.00 0.00 61.98 62.72 2x1s s VAL 228 Cb 0.27 -3.53 0.45 0.00 0.00 0.00 0.00 36.38 33.56 2x1s s VAL 228 CO 0.15 0.29 1.34 0.59 0.00 0.00 0.00 175.10 177.47 2x1s n ASN 229 N 4.67 3.45 0.00 3.32 4.13 -0.16 -4.84 115.26 125.83 2x1s n ASN 229 Ca -0.14 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.24 2x1s n ASN 229 Cb 0.52 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 2x1s n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x1s n GLY 230 N -0.54 0.88 3.07 7.41 0.00 -1.26 -1.99 105.19 112.76 2x1s n GLY 230 Ca 0.19 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 2x1s n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1s s PHE 231 N -2.55 0.26 -0.16 1.61 0.08 -0.57 -1.18 117.98 115.47 2x1s s PHE 231 Ca 0.00 -0.58 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 2x1s s PHE 231 Cb 0.00 -0.19 -0.00 0.00 -0.57 0.00 0.00 43.02 42.26 2x1s s PHE 231 CO 0.00 -0.30 -0.14 -1.17 -0.10 0.00 0.00 175.22 173.50 2x1s s LEU 232 N -1.98 2.52 0.30 -0.37 2.96 -0.37 -0.73 118.68 121.01 2x1s s LEU 232 Ca -0.07 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 2x1s s LEU 232 Cb -0.03 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2x1s s LEU 232 CO -0.04 0.08 0.28 0.00 -1.32 0.00 0.00 176.35 175.35 2x1s s ALA 233 N 0.86 1.51 0.66 5.97 0.00 0.04 -3.96 121.76 126.84 2x1s s ALA 233 Ca -0.04 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 49.91 2x1s s ALA 233 Cb -0.15 1.41 -0.01 0.00 0.00 0.00 0.00 23.12 24.37 2x1s s ALA 233 CO -0.01 -0.67 1.05 0.20 0.00 0.00 0.00 175.76 176.34 2x1s s GLY 234 N -3.30 1.79 -0.98 0.00 0.00 -1.26 -0.60 107.32 102.96 2x1s s GLY 234 Ca 0.39 0.14 -0.17 0.00 0.00 0.00 0.00 44.72 45.07 2x1s s GLY 234 CO 0.23 0.44 1.17 -2.27 0.00 0.00 0.00 173.10 172.67 2x1s s LEU 238 N -5.20 5.19 0.24 0.66 2.96 -1.25 -4.55 118.68 116.72 2x1s s LEU 238 Ca 0.59 -2.31 -0.14 0.00 -0.22 0.00 0.00 54.13 52.06 2x1s s LEU 238 Cb -0.14 -2.38 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 2x1s s LEU 238 CO 0.50 -0.95 0.49 -1.59 -1.32 0.00 0.00 176.35 173.47 2x1s s LYS 239 N 2.23 1.53 0.44 1.98 -2.85 -1.26 -4.98 119.74 116.82 2x1s s LYS 239 Ca 0.34 -1.20 0.15 0.00 -1.00 0.00 0.00 55.97 54.26 2x1s s LYS 239 Cb -0.05 0.48 1.06 0.00 -2.06 0.00 0.00 37.83 37.26 2x1s s LYS 239 CO -0.07 -0.64 1.95 -1.35 0.10 0.00 0.00 175.35 175.34 2x1s h PRO 240 N 2.25 0.38 0.00 1.78 0.11 -1.97 -1.22 132.00 133.33 2x1s h PRO 240 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2x1s h PRO 240 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2x1s h PRO 240 CO 0.35 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 2x1s n GLU 241 N -4.47 0.16 0.07 1.05 0.28 -1.26 -2.36 120.64 114.11 2x1s n GLU 241 Ca 0.12 0.12 0.18 0.00 -0.16 0.00 0.00 57.16 57.42 2x1s n GLU 241 Cb 0.45 -1.50 0.71 0.00 1.43 0.00 0.00 31.44 32.53 2x1s n GLU 241 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2x1s h PHE 242 N 0.00 0.00 -0.91 -1.84 3.57 -1.49 0.10 116.94 116.37 2x1s h PHE 242 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2x1s h PHE 242 Cb 0.26 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 2x1s h PHE 242 CO 0.00 0.00 0.60 0.28 -2.23 0.00 0.00 178.31 176.96 2x1s h VAL 243 N 0.00 1.24 -0.03 1.41 2.07 -1.69 -0.47 116.25 118.79 2x1s h VAL 243 Ca 0.19 -0.44 -0.19 0.00 0.82 0.00 0.00 66.70 67.08 2x1s h VAL 243 Cb 0.81 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2x1s h VAL 243 CO -0.00 0.23 -0.81 0.44 0.02 0.00 0.00 177.57 177.45 2x1s h ASP 244 N 1.24 0.34 -0.77 0.57 3.32 -1.04 -2.76 116.42 117.32 2x1s h ASP 244 Ca 0.33 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2x1s h ASP 244 Cb -0.13 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 2x1s h ASP 244 CO -0.07 1.01 0.39 0.40 -1.72 0.00 0.00 179.24 179.25 2x1s h ILE 245 N 0.17 1.24 -0.51 0.35 2.04 -0.90 -2.74 117.51 117.16 2x1s h ILE 245 Ca -0.04 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.19 2x1s h ILE 245 Cb 1.40 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 2x1s h ILE 245 CO 0.13 0.28 0.29 0.40 0.00 0.00 0.00 178.15 179.26 2x1s h ILE 246 N 1.09 1.03 0.00 -0.67 2.04 -0.98 -2.17 117.51 117.85 2x1s h ILE 246 Ca 0.27 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2x1s h ILE 246 Cb 0.10 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2x1s h ILE 246 CO -0.04 0.11 -0.00 0.11 0.00 0.00 0.00 178.15 178.33 2x1s h LYS 247 N 0.58 0.00 0.00 2.37 1.57 -1.21 -2.47 116.57 117.41 2x1s h LYS 247 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2x1s h LYS 247 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2x1s h LYS 247 CO -0.11 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 178.72 2x1s n ALA 248 N -2.26 2.42 -1.10 3.86 0.00 -0.82 -4.29 120.51 118.32 2x1s n ALA 248 Ca -0.03 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 2x1s n ALA 248 Cb 0.08 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 2x1s n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1s n THR 249 N -1.69 3.29 -1.94 0.00 -2.24 -0.93 -4.63 114.28 106.15 2x1s n THR 249 Ca 0.06 -1.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 2x1s n THR 249 Cb 0.36 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.50 2x1s n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50