#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x1t s LYS 3 N 0.00 3.69 1.14 4.33 1.02 -1.26 -5.02 119.74 123.64 2x1t s LYS 3 Ca 0.00 1.84 -0.19 0.00 0.02 0.00 0.00 55.97 57.64 2x1t s LYS 3 Cb 0.00 -2.40 0.27 0.00 -0.52 0.00 0.00 37.83 35.18 2x1t s LYS 3 CO 0.00 -0.62 1.19 -1.25 -0.92 0.00 0.00 175.35 173.74 2x1t s PRO 4 N -2.70 -0.74 0.14 -1.68 0.04 -1.26 -4.93 135.00 123.85 2x1t s PRO 4 Ca 0.64 -0.24 -0.32 0.00 0.04 0.00 0.00 61.00 61.13 2x1t s PRO 4 Cb -0.30 -1.67 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 2x1t s PRO 4 CO 0.37 -3.36 1.80 0.94 0.04 0.00 0.00 177.00 176.78 2x1t n GLN 5 N -4.48 2.72 -1.57 4.56 7.27 -1.26 -4.96 117.38 119.66 2x1t n GLN 5 Ca 0.15 0.99 -0.31 0.00 0.07 0.00 0.00 57.00 57.90 2x1t n GLN 5 Cb 0.60 -2.86 0.06 0.00 2.41 0.00 0.00 30.24 30.44 2x1t n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2x1t s PRO 6 N 2.33 2.76 -0.05 3.69 0.04 -1.26 -4.87 135.00 137.63 2x1t s PRO 6 Ca 0.81 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2x1t s PRO 6 Cb -0.51 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.05 2x1t s PRO 6 CO 0.37 -1.21 -0.18 0.42 0.04 0.00 0.00 177.00 176.44 2x1t s ILE 7 N -3.08 1.54 -0.28 0.56 1.01 -0.46 -1.60 121.20 118.91 2x1t s ILE 7 Ca 0.59 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 2x1t s ILE 7 Cb -0.14 -1.33 0.04 0.00 0.01 0.00 0.00 42.46 41.04 2x1t s ILE 7 CO 0.55 0.44 -0.03 0.00 0.00 0.00 0.00 174.94 175.90 2x1t s ALA 8 N 0.09 2.75 -0.04 9.38 0.00 -0.27 -1.37 121.76 132.30 2x1t s ALA 8 Ca -0.06 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.32 2x1t s ALA 8 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2x1t s ALA 8 CO 0.03 -1.09 -0.25 0.00 0.00 0.00 0.00 175.76 174.46 2x1t s ALA 9 N 1.27 2.11 -0.12 0.00 0.00 0.53 -0.92 121.76 124.62 2x1t s ALA 9 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2x1t s ALA 9 Cb -0.19 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 2x1t s ALA 9 CO -0.03 0.45 -0.14 0.00 0.00 0.00 0.00 175.76 176.04 2x1t s ALA 10 N -0.31 2.60 -0.30 0.00 0.00 0.69 -0.18 121.76 124.25 2x1t s ALA 10 Ca 0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 2x1t s ALA 10 Cb -0.12 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.86 2x1t s ALA 10 CO 0.02 0.27 0.03 1.21 0.00 0.00 0.00 175.76 177.29 2x1t s ASN 11 N 0.30 4.97 0.41 0.00 2.47 0.14 -0.12 114.94 123.12 2x1t s ASN 11 Ca -0.10 -1.13 -0.26 0.00 0.42 0.00 0.00 52.86 51.78 2x1t s ASN 11 Cb -0.16 -1.77 -0.09 0.00 -1.45 0.00 0.00 41.25 37.79 2x1t s ASN 11 CO 0.06 -0.26 1.31 0.86 -3.72 0.00 0.00 177.10 175.35 2x1t s TRP 12 N 1.33 2.78 0.00 0.43 -0.11 0.06 -3.88 118.94 119.55 2x1t s TRP 12 Ca -0.03 1.39 0.00 0.00 1.22 0.00 0.00 56.10 58.69 2x1t s TRP 12 Cb -0.19 -3.69 0.00 0.00 -1.50 0.00 0.00 33.47 28.09 2x1t s TRP 12 CO 0.00 -2.18 0.00 0.36 -4.62 0.00 0.00 176.95 170.51 2x1t n LYS 13 N 0.08 0.00 -1.63 5.86 2.85 -1.26 -4.73 118.16 119.33 2x1t n LYS 13 Ca 0.04 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.88 2x1t n LYS 13 Cb 0.43 -0.08 -0.03 0.00 -0.65 0.00 0.00 35.03 34.71 2x1t n LYS 13 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2x1t s SER 20 N 0.00 5.30 0.20 -5.58 0.15 -1.26 -5.08 113.70 107.43 2x1t s SER 20 Ca 0.00 1.69 -0.11 0.00 0.70 0.00 0.00 55.95 58.23 2x1t s SER 20 Cb 0.00 -2.51 0.16 0.00 -1.71 0.00 0.00 66.02 61.96 2x1t s SER 20 CO 0.00 -2.11 1.83 0.25 1.20 0.00 0.00 173.24 174.41 2x1t h LEU 21 N 15.80 0.62 -0.62 3.45 7.12 -2.00 -2.26 115.31 137.43 2x1t h LEU 21 Ca -0.37 0.00 0.06 0.00 0.13 0.00 0.00 57.88 57.70 2x1t h LEU 21 Cb 1.24 -0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 41.19 2x1t h LEU 21 CO 1.00 0.43 0.32 0.28 -0.13 0.00 0.00 178.44 180.34 2x1t h SER 22 N 0.75 0.44 -0.02 1.25 0.02 -2.01 -1.48 113.55 112.50 2x1t h SER 22 Ca 0.26 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 2x1t h SER 22 Cb 0.04 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2x1t h SER 22 CO -0.11 0.29 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.26 2x1t h GLU 23 N 0.58 0.46 -0.27 3.45 5.08 -1.89 -1.84 114.58 120.15 2x1t h GLU 23 Ca 0.28 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 2x1t h GLU 23 Cb 0.21 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2x1t h GLU 23 CO -0.20 0.70 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.95 2x1t h LEU 24 N 0.40 0.81 -0.43 1.33 3.38 -0.99 -1.99 115.31 117.82 2x1t h LEU 24 Ca 0.06 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2x1t h LEU 24 Cb 0.70 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2x1t h LEU 24 CO 0.05 1.16 0.14 0.40 0.09 0.00 0.00 178.44 180.28 2x1t h ILE 25 N 0.58 1.22 -0.41 1.22 2.04 -0.99 0.47 117.51 121.64 2x1t h ILE 25 Ca 0.03 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.20 2x1t h ILE 25 Cb 1.05 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2x1t h ILE 25 CO 0.10 0.25 0.26 0.44 0.00 0.00 0.00 178.15 179.20 2x1t h ASP 26 N 0.55 0.44 -0.33 1.72 3.32 -1.31 0.22 116.42 121.03 2x1t h ASP 26 Ca 0.14 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.25 2x1t h ASP 26 Cb 0.25 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2x1t h ASP 26 CO -0.01 0.31 -0.07 0.25 -1.72 0.00 0.00 179.24 178.01 2x1t h LEU 27 N 0.53 -0.28 -0.03 1.55 5.85 -1.08 -1.01 115.31 120.83 2x1t h LEU 27 Ca 0.15 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.98 2x1t h LEU 27 Cb -0.03 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2x1t h LEU 27 CO -0.05 -0.10 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.67 2x1t h PHE 28 N 0.01 -0.05 -0.92 1.25 0.04 -0.21 -2.26 116.94 114.80 2x1t h PHE 28 Ca 0.16 0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.10 2x1t h PHE 28 Cb 0.24 0.03 -0.08 0.00 2.20 0.00 0.00 35.95 38.34 2x1t h PHE 28 CO -0.30 -0.04 0.59 -0.91 -0.60 0.00 0.00 178.31 177.06 2x1t h ASN 29 N -0.03 0.60 0.50 2.17 2.35 -0.19 -1.03 115.58 119.95 2x1t h ASN 29 Ca 0.02 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2x1t h ASN 29 Cb 0.06 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2x1t h ASN 29 CO -0.05 0.27 -0.05 -1.54 -1.65 0.00 0.00 177.43 174.41 2x1t n SER 30 N -4.58 0.16 -4.62 5.81 3.41 -0.42 -4.83 113.62 108.55 2x1t n SER 30 Ca 0.19 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.10 2x1t n SER 30 Cb 0.57 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.26 2x1t n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2x1t s THR 31 N -2.55 4.81 -0.21 6.66 2.01 -0.39 -5.01 115.64 120.95 2x1t s THR 31 Ca 0.28 1.25 -0.29 0.00 0.31 0.00 0.00 61.69 63.24 2x1t s THR 31 Cb 0.20 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.58 2x1t s THR 31 CO 0.47 -0.21 1.18 -0.44 -0.69 0.00 0.00 174.62 174.94 2x1t s SER 32 N 1.56 6.97 -0.31 3.53 0.01 -1.26 -5.00 113.70 119.20 2x1t s SER 32 Ca 0.32 1.51 -0.06 0.00 1.31 0.00 0.00 55.95 59.04 2x1t s SER 32 Cb -0.14 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.57 2x1t s SER 32 CO 0.11 -0.76 0.07 -0.63 0.41 0.00 0.00 173.24 172.44 2x1t s ILE 33 N 3.48 3.70 -1.13 1.44 1.01 -1.26 -4.99 121.20 123.45 2x1t s ILE 33 Ca 0.51 -0.97 0.25 0.00 0.00 0.00 0.00 60.65 60.43 2x1t s ILE 33 Cb -0.18 -3.01 0.04 0.00 0.01 0.00 0.00 42.46 39.32 2x1t s ILE 33 CO 0.12 -0.04 1.42 0.59 0.00 0.00 0.00 174.94 177.04 2x1t n ASN 34 N 4.80 0.61 -4.69 3.58 5.03 -1.26 -4.92 115.26 118.41 2x1t n ASN 34 Ca -0.14 -0.39 -0.32 0.00 0.87 0.00 0.00 54.58 54.60 2x1t n ASN 34 Cb 0.46 0.26 -0.08 0.00 -1.02 0.00 0.00 39.78 39.40 2x1t n ASN 34 CO 0.00 0.00 0.00 -1.38 -1.83 0.00 0.00 177.26 174.05 2x1t s HIS 35 N -2.91 1.86 -0.52 3.10 -3.43 -1.26 -5.09 115.29 107.04 2x1t s HIS 35 Ca 0.13 -0.99 -0.23 0.00 -0.80 0.00 0.00 55.06 53.17 2x1t s HIS 35 Cb 0.18 -1.57 0.04 0.00 -1.43 0.00 0.00 32.58 29.80 2x1t s HIS 35 CO 0.67 0.18 0.87 0.34 -2.00 0.00 0.00 174.74 174.80 2x1t s ASP 36 N -3.85 6.35 -0.17 7.38 2.15 -1.26 -4.98 116.67 122.28 2x1t s ASP 36 Ca 0.07 -0.34 -0.12 0.00 0.43 0.00 0.00 52.55 52.60 2x1t s ASP 36 Cb 0.02 -2.41 0.05 0.00 -0.30 0.00 0.00 42.92 40.28 2x1t s ASP 36 CO 0.04 -1.11 0.43 0.54 -0.17 0.00 0.00 175.17 174.90 2x1t s VAL 37 N 3.64 -0.02 -0.24 1.11 0.11 -1.26 -4.24 120.40 119.50 2x1t s VAL 37 Ca 0.29 0.06 -0.25 0.00 -2.93 0.00 0.00 61.98 59.15 2x1t s VAL 37 Cb -0.13 -0.62 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2x1t s VAL 37 CO 0.20 0.02 0.83 -1.58 -3.33 0.00 0.00 175.10 171.24 2x1t s GLN 38 N 0.99 4.19 0.02 1.54 2.00 -0.63 -4.92 119.66 122.86 2x1t s GLN 38 Ca -0.06 0.94 -0.01 0.00 -2.00 0.00 0.00 55.36 54.23 2x1t s GLN 38 Cb -0.06 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 30.06 2x1t s GLN 38 CO -0.08 -0.51 0.15 0.00 -0.50 0.00 0.00 175.29 174.34 2x1t s VAL 40 N -1.34 -0.04 -0.26 0.00 1.01 -0.10 -1.34 120.40 118.34 2x1t s VAL 40 Ca 0.28 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 2x1t s VAL 40 Cb -0.12 -0.05 0.04 0.00 0.00 0.00 0.00 36.38 36.24 2x1t s VAL 40 CO 0.20 0.05 -0.07 -0.69 0.00 0.00 0.00 175.10 174.60 2x1t s VAL 41 N 0.65 2.71 -0.21 2.92 1.01 -0.60 -0.22 120.40 126.66 2x1t s VAL 41 Ca -0.05 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 2x1t s VAL 41 Cb -0.08 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2x1t s VAL 41 CO -0.02 0.12 0.13 0.00 0.00 0.00 0.00 175.10 175.33 2x1t s ALA 42 N 1.27 3.59 0.04 5.51 0.00 0.84 -0.49 121.76 132.51 2x1t s ALA 42 Ca -0.02 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.24 2x1t s ALA 42 Cb -0.18 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2x1t s ALA 42 CO -0.05 0.03 -0.24 0.45 0.00 0.00 0.00 175.76 175.95 2x1t s SER 43 N 0.63 2.85 0.74 0.00 0.15 -0.07 -0.76 113.70 117.25 2x1t s SER 43 Ca 0.07 -0.55 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 2x1t s SER 43 Cb -0.12 -0.26 0.05 0.00 -1.71 0.00 0.00 66.02 63.98 2x1t s SER 43 CO 0.01 0.22 1.14 0.42 1.20 0.00 0.00 173.24 176.22 2x1t s THR 44 N -0.78 2.85 0.26 6.45 -4.23 -1.26 -3.58 115.64 115.35 2x1t s THR 44 Ca 0.10 0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 2x1t s THR 44 Cb -0.09 -2.80 0.25 0.00 1.34 0.00 0.00 72.50 71.19 2x1t s THR 44 CO 0.02 -0.29 1.73 0.15 -0.54 0.00 0.00 174.62 175.69 2x1t h PHE 45 N -0.62 0.63 0.00 3.99 3.57 -1.97 -1.50 116.94 121.04 2x1t h PHE 45 Ca -0.46 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 2x1t h PHE 45 Cb 1.26 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 2x1t h PHE 45 CO 0.53 0.06 -0.14 -0.39 -2.23 0.00 0.00 178.31 176.14 2x1t h VAL 46 N 0.48 0.54 -0.01 1.41 -1.51 -2.03 -2.31 116.25 112.83 2x1t h VAL 46 Ca 0.47 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2x1t h VAL 46 Cb 0.77 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2x1t h VAL 46 CO -0.43 0.13 -0.44 1.41 -1.23 0.00 0.00 177.57 177.01 2x1t n HIS 47 N -3.57 0.00 0.06 5.19 8.25 -0.58 -4.56 115.22 120.01 2x1t n HIS 47 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 2x1t n HIS 47 Cb 0.27 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.27 2x1t n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2x1t h LEU 48 N 1.60 -0.25 -0.41 2.41 3.38 -1.27 -1.46 115.31 119.31 2x1t h LEU 48 Ca 0.00 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2x1t h LEU 48 Cb 0.62 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2x1t h LEU 48 CO 0.00 -0.13 0.22 0.00 0.09 0.00 0.00 178.44 178.62 2x1t h ALA 49 N 0.80 0.52 -0.28 1.53 0.00 -1.80 0.14 119.26 120.17 2x1t h ALA 49 Ca 0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2x1t h ALA 49 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2x1t h ALA 49 CO -0.08 -0.12 -0.06 1.98 0.00 0.00 0.00 179.25 180.97 2x1t h MET 50 N 0.45 0.54 0.04 0.00 1.85 -1.83 -2.12 114.93 113.85 2x1t h MET 50 Ca 0.17 -0.20 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2x1t h MET 50 Cb 0.05 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.05 2x1t h MET 50 CO -0.10 0.73 -0.03 1.15 -0.40 0.00 0.00 176.91 178.26 2x1t h THR 51 N 0.30 0.93 -0.75 -0.77 2.02 -1.01 0.81 112.91 114.43 2x1t h THR 51 Ca 0.07 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.42 2x1t h THR 51 Cb 0.53 0.93 -0.12 0.00 -1.74 0.00 0.00 68.15 67.76 2x1t h THR 51 CO 0.03 0.00 0.16 0.50 0.37 0.00 0.00 175.52 176.58 2x1t h LYS 52 N -0.07 0.23 0.00 6.66 3.11 -0.70 0.18 116.57 125.99 2x1t h LYS 52 Ca 0.00 -0.01 -0.19 0.00 -2.81 0.00 0.00 60.65 57.63 2x1t h LYS 52 Cb 0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.21 2x1t h LYS 52 CO -0.00 0.15 -1.02 1.05 -2.81 0.00 0.00 179.45 176.82 2x1t h GLU 53 N 0.24 0.00 0.08 1.90 4.11 -0.87 -3.36 114.58 116.68 2x1t h GLU 53 Ca 0.43 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.54 2x1t h GLU 53 Cb 0.76 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2x1t h GLU 53 CO -0.55 0.74 -1.79 0.00 0.07 0.00 0.00 179.01 177.48 2x1t h ARG 54 N 0.00 0.17 -6.18 1.06 2.47 -0.47 -3.45 114.38 107.98 2x1t h ARG 54 Ca -0.06 -0.29 -0.57 0.00 -1.26 0.00 0.00 59.98 57.80 2x1t h ARG 54 Cb 1.70 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 30.08 2x1t h ARG 54 CO 0.10 0.94 0.80 -1.17 0.56 0.00 0.00 179.97 181.20 2x1t s LEU 55 N -6.69 4.19 0.00 3.04 2.96 0.60 -4.85 118.68 117.92 2x1t s LEU 55 Ca -0.13 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.40 2x1t s LEU 55 Cb 0.07 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2x1t s LEU 55 CO 0.81 -0.67 0.16 -1.54 -1.32 0.00 0.00 176.35 173.79 2x1t n SER 56 N 6.06 0.32 -4.67 3.68 3.41 -1.26 -4.84 113.62 116.32 2x1t n SER 56 Ca 0.12 -0.72 -0.42 0.00 -0.26 0.00 0.00 58.87 57.59 2x1t n SER 56 Cb 0.46 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 2x1t n SER 56 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2x1t s HIS 57 N -0.20 1.85 -1.18 7.33 5.04 -1.26 -4.85 115.29 122.02 2x1t s HIS 57 Ca 0.00 -0.07 0.19 0.00 -1.54 0.00 0.00 55.06 53.64 2x1t s HIS 57 Cb 0.00 -4.11 0.89 0.00 0.04 0.00 0.00 32.58 29.40 2x1t s HIS 57 CO 0.00 -4.73 1.61 -0.35 -2.34 0.00 0.00 174.74 168.93 2x1t n PRO 58 N 6.62 0.12 -0.05 2.88 -0.04 -1.26 -1.61 135.00 141.66 2x1t n PRO 58 Ca 0.18 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2x1t n PRO 58 Cb 0.41 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.82 2x1t n PRO 58 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2x1t n LYS 59 N -1.41 1.65 -4.14 0.54 5.02 -1.26 -4.85 118.16 113.70 2x1t n LYS 59 Ca 0.07 -0.96 -0.31 0.00 -2.02 0.00 0.00 58.31 55.08 2x1t n LYS 59 Cb 0.20 -1.42 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 2x1t n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2x1t s PHE 60 N -1.88 3.12 0.10 2.13 0.40 -0.63 -1.10 117.98 120.12 2x1t s PHE 60 Ca 0.35 0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.82 2x1t s PHE 60 Cb 0.19 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.05 2x1t s PHE 60 CO 0.29 0.50 -0.18 0.14 0.70 0.00 0.00 175.22 176.67 2x1t s VAL 61 N -1.26 1.51 0.27 -0.44 -7.23 -0.45 -4.89 120.40 107.92 2x1t s VAL 61 Ca 0.25 -1.54 -0.26 0.00 -1.81 0.00 0.00 61.98 58.62 2x1t s VAL 61 Cb -0.12 -1.45 -0.09 0.00 0.56 0.00 0.00 36.38 35.28 2x1t s VAL 61 CO 0.17 -0.18 0.88 -0.63 -0.31 0.00 0.00 175.10 175.03 2x1t s ILE 62 N -1.42 4.27 0.06 -0.62 -1.09 -1.26 -1.55 121.20 119.58 2x1t s ILE 62 Ca 0.05 1.76 0.08 0.00 -2.23 0.00 0.00 60.65 60.32 2x1t s ILE 62 Cb -0.09 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 2x1t s ILE 62 CO 0.04 0.26 -0.22 0.00 -1.23 0.00 0.00 174.94 173.79 2x1t s ALA 63 N -1.47 1.87 0.73 9.38 0.00 0.35 -3.80 121.76 128.82 2x1t s ALA 63 Ca 0.46 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 2x1t s ALA 63 Cb -0.20 -0.34 0.11 0.00 0.00 0.00 0.00 23.12 22.68 2x1t s ALA 63 CO 0.25 0.41 1.02 0.00 0.00 0.00 0.00 175.76 177.44 2x1t s ALA 64 N -0.88 3.37 -0.00 0.00 0.00 -0.48 -0.89 121.76 122.88 2x1t s ALA 64 Ca 0.08 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.68 2x1t s ALA 64 Cb -0.09 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2x1t s ALA 64 CO 0.02 -1.47 -0.11 -0.65 0.00 0.00 0.00 175.76 173.56 2x1t s GLN 65 N -5.23 0.83 0.00 0.00 -0.21 -1.23 -1.12 119.66 112.70 2x1t s GLN 65 Ca 0.65 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.61 2x1t s GLN 65 Cb -0.07 -0.80 0.00 0.00 1.00 0.00 0.00 33.01 33.14 2x1t s GLN 65 CO 0.45 0.22 0.00 0.09 -2.12 0.00 0.00 175.29 173.92 2x1t n ASN 66 N 2.70 0.00 -4.68 5.90 5.03 -0.53 -4.89 115.26 118.78 2x1t n ASN 66 Ca -0.14 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 54.86 2x1t n ASN 66 Cb 0.56 -1.17 -0.04 0.00 -1.02 0.00 0.00 39.78 38.11 2x1t n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2x1t n ALA 67 N 0.83 1.82 -0.22 5.41 0.00 -1.26 -4.86 120.51 122.22 2x1t n ALA 67 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2x1t n ALA 67 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2x1t n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x1t n GLY 68 N 3.62 -0.07 3.75 0.00 0.00 -1.26 -4.94 105.19 106.30 2x1t n GLY 68 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2x1t n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x1t s ASN 69 N -0.23 6.18 0.26 1.61 3.84 -1.26 -4.88 114.94 120.44 2x1t s ASN 69 Ca 0.00 0.26 -0.03 0.00 0.21 0.00 0.00 52.86 53.30 2x1t s ASN 69 Cb 0.00 -2.07 0.39 0.00 -0.55 0.00 0.00 41.25 39.02 2x1t s ASN 69 CO 0.00 0.22 1.86 0.00 -2.79 0.00 0.00 177.10 176.39 2x1t h ALA 70 N 6.35 1.31 -0.33 1.71 0.00 -1.97 -0.13 119.26 126.19 2x1t h ALA 70 Ca -0.43 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 2x1t h ALA 70 Cb 1.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2x1t h ALA 70 CO 0.72 0.33 -0.27 -0.44 0.00 0.00 0.00 179.25 179.59 2x1t h ASP 71 N 1.05 0.70 -0.45 0.00 3.32 -1.99 -1.08 116.42 117.97 2x1t h ASP 71 Ca 0.41 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 2x1t h ASP 71 Cb 0.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2x1t h ASP 71 CO -0.19 0.94 -0.22 0.00 -1.72 0.00 0.00 179.24 178.05 2x1t h ALA 72 N 1.11 0.63 -0.44 3.45 0.00 -1.69 -1.13 119.26 121.19 2x1t h ALA 72 Ca 0.08 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2x1t h ALA 72 Cb 0.77 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2x1t h ALA 72 CO 0.06 0.62 0.28 -0.07 0.00 0.00 0.00 179.25 180.14 2x1t h LEU 80 N 0.78 0.47 -0.79 0.00 3.38 -0.90 -0.67 115.31 117.59 2x1t h LEU 80 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2x1t h LEU 80 Cb 0.80 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2x1t h LEU 80 CO 0.07 0.34 0.49 0.00 0.09 0.00 0.00 178.44 179.43 2x1t h ALA 81 N 1.18 1.00 -0.53 1.53 0.00 -1.02 -1.60 119.26 119.82 2x1t h ALA 81 Ca 0.17 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2x1t h ALA 81 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2x1t h ALA 81 CO -0.05 0.45 -0.07 1.03 0.00 0.00 0.00 179.25 180.60 2x1t h SER 82 N 1.07 0.95 -0.14 0.00 0.87 -0.87 -0.32 113.55 115.10 2x1t h SER 82 Ca 0.28 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2x1t h SER 82 Cb -0.07 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 2x1t h SER 82 CO -0.06 1.04 0.09 -0.07 -0.53 0.00 0.00 176.83 177.31 2x1t h LEU 83 N 0.86 0.17 -0.29 2.23 3.38 -0.89 0.38 115.31 121.16 2x1t h LEU 83 Ca 0.14 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2x1t h LEU 83 Cb 0.61 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2x1t h LEU 83 CO 0.04 0.14 0.15 0.50 0.09 0.00 0.00 178.44 179.36 2x1t h LYS 84 N 0.18 0.31 -0.44 1.13 1.63 -1.07 -0.44 116.57 117.87 2x1t h LYS 84 Ca 0.05 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2x1t h LYS 84 Cb -0.00 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2x1t h LYS 84 CO -0.01 0.20 0.29 0.22 -3.45 0.00 0.00 179.45 176.70 2x1t h ASP 85 N 0.32 0.37 0.61 4.20 3.58 -0.89 -0.34 116.42 124.26 2x1t h ASP 85 Ca 0.12 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2x1t h ASP 85 Cb 0.02 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2x1t h ASP 85 CO -0.07 0.25 0.00 0.33 -2.88 0.00 0.00 179.24 176.87 2x1t n PHE 86 N -4.48 0.00 -0.16 0.28 7.35 0.11 -4.88 117.46 115.68 2x1t n PHE 86 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2x1t n PHE 86 Cb 0.19 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 39.65 2x1t n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2x1t n GLY 87 N 0.91 0.91 3.54 7.13 0.00 -0.14 -5.06 105.19 112.47 2x1t n GLY 87 Ca 0.10 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2x1t n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x1t s VAL 88 N -2.00 4.69 0.00 1.61 1.01 -0.62 -4.92 120.40 120.17 2x1t s VAL 88 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2x1t s VAL 88 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2x1t s VAL 88 CO 0.00 0.35 0.39 0.59 0.00 0.00 0.00 175.10 176.44 2x1t n ASN 89 N 4.53 0.79 -4.34 3.32 4.13 -1.26 -3.61 115.26 118.82 2x1t n ASN 89 Ca -0.16 -0.90 -0.24 0.00 1.68 0.00 0.00 54.58 54.96 2x1t n ASN 89 Cb 0.52 0.18 -0.12 0.00 -1.54 0.00 0.00 39.78 38.82 2x1t n ASN 89 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2x1t s TRP 90 N -0.18 1.95 -0.09 3.10 0.52 -1.25 -0.53 118.94 122.45 2x1t s TRP 90 Ca 0.00 -0.43 -0.19 0.00 0.02 0.00 0.00 56.10 55.50 2x1t s TRP 90 Cb 0.00 -1.00 0.04 0.00 -1.15 0.00 0.00 33.47 31.37 2x1t s TRP 90 CO 0.00 0.34 0.47 -1.50 0.02 0.00 0.00 176.95 176.28 2x1t s ILE 91 N -1.69 0.02 -0.14 2.03 2.07 -0.60 -1.38 121.20 121.51 2x1t s ILE 91 Ca 0.14 -0.17 -0.04 0.00 -1.41 0.00 0.00 60.65 59.18 2x1t s ILE 91 Cb -0.07 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 2x1t s ILE 91 CO 0.07 -0.09 -0.00 -0.69 -1.91 0.00 0.00 174.94 172.31 2x1t s VAL 92 N -0.64 4.23 0.02 4.00 1.01 -0.27 -0.72 120.40 128.04 2x1t s VAL 92 Ca -0.07 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2x1t s VAL 92 Cb -0.03 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2x1t s VAL 92 CO 0.04 0.52 -0.05 -0.76 0.00 0.00 0.00 175.10 174.86 2x1t s LEU 93 N -0.07 2.20 0.00 3.92 1.43 -0.11 -1.45 118.68 124.61 2x1t s LEU 93 Ca 0.03 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2x1t s LEU 93 Cb -0.13 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.05 2x1t s LEU 93 CO 0.02 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2x1t n GLY 94 N 1.84 0.71 3.57 -3.19 0.00 -1.26 -0.66 105.19 106.20 2x1t n GLY 94 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 2x1t n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2x1t n HIS 95 N -2.53 0.50 -0.23 1.61 -0.00 -1.26 -4.45 115.22 108.86 2x1t n HIS 95 Ca 0.00 0.48 -0.01 0.00 0.46 0.00 0.00 57.72 58.65 2x1t n HIS 95 Cb 0.00 -2.11 0.05 0.00 -0.12 0.00 0.00 29.99 27.81 2x1t n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2x1t h SER 96 N 0.77 -0.82 0.45 0.26 4.64 -1.94 0.25 113.55 117.17 2x1t h SER 96 Ca -0.46 0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2x1t h SER 96 Cb 1.37 0.48 -0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2x1t h SER 96 CO 0.52 -0.26 -0.06 1.05 -0.87 0.00 0.00 176.83 177.21 2x1t h GLU 97 N -0.05 0.00 -0.31 4.77 9.09 -1.98 0.13 114.58 126.23 2x1t h GLU 97 Ca 0.30 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.68 2x1t h GLU 97 Cb 0.53 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.61 2x1t h GLU 97 CO -0.71 0.06 0.04 0.00 0.05 0.00 0.00 179.01 178.45 2x1t h ARG 98 N 0.00 0.46 0.04 1.06 2.47 -0.80 -1.31 114.38 116.30 2x1t h ARG 98 Ca -0.00 -0.08 -0.21 0.00 -1.26 0.00 0.00 59.98 58.43 2x1t h ARG 98 Cb 0.30 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 2x1t h ARG 98 CO 0.01 0.45 -1.15 0.00 0.56 0.00 0.00 179.97 179.85 2x1t h ARG 99 N 0.45 0.08 0.00 0.04 3.08 -0.81 0.29 114.38 117.51 2x1t h ARG 99 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2x1t h ARG 99 Cb 0.23 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2x1t h ARG 99 CO 0.00 1.07 -0.27 0.11 -1.07 0.00 0.00 179.97 179.81 2x1t h TRP 100 N -0.74 0.00 0.00 3.04 5.08 -1.30 -3.23 115.95 118.80 2x1t h TRP 100 Ca -0.28 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.65 2x1t h TRP 100 Cb 1.43 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.58 2x1t h TRP 100 CO 0.13 0.00 -0.71 0.98 -1.28 0.00 0.00 178.44 177.57 2x1t n TYR 101 N -2.41 0.00 0.76 0.12 9.36 -0.55 -4.77 117.16 119.67 2x1t n TYR 101 Ca 0.04 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.39 2x1t n TYR 101 Cb 0.46 -0.13 0.50 0.00 -0.63 0.00 0.00 39.34 39.54 2x1t n TYR 101 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2x1t n TYR 102 N -3.45 0.46 -1.26 2.98 4.01 -0.86 -4.91 117.16 114.14 2x1t n TYR 102 Ca -0.06 0.14 -0.01 0.00 -0.16 0.00 0.00 57.90 57.82 2x1t n TYR 102 Cb 0.32 -0.73 -0.00 0.00 -0.31 0.00 0.00 39.34 38.62 2x1t n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2x1t n GLY 103 N 1.21 0.41 3.62 2.72 0.00 -0.81 -4.98 105.19 107.37 2x1t n GLY 103 Ca 0.06 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 2x1t n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x1t s GLU 104 N -2.53 3.73 1.00 1.61 2.02 0.03 -4.98 118.70 119.58 2x1t s GLU 104 Ca 0.00 1.56 -0.15 0.00 0.02 0.00 0.00 54.97 56.40 2x1t s GLU 104 Cb 0.00 -4.04 0.19 0.00 0.10 0.00 0.00 34.13 30.38 2x1t s GLU 104 CO 0.00 -1.37 1.18 0.95 0.02 0.00 0.00 175.26 176.04 2x1t s THR 105 N 5.36 1.90 0.26 3.63 -4.23 -1.26 -4.28 115.64 117.02 2x1t s THR 105 Ca 0.71 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 2x1t s THR 105 Cb -0.23 -2.75 0.25 0.00 1.34 0.00 0.00 72.50 71.11 2x1t s THR 105 CO 0.30 0.00 1.82 0.78 -0.54 0.00 0.00 174.62 176.98 2x1t h ASN 106 N -1.80 0.80 0.07 3.99 2.35 -1.95 -1.53 115.58 117.50 2x1t h ASN 106 Ca -0.47 0.05 -0.24 0.00 -0.55 0.00 0.00 56.30 55.09 2x1t h ASN 106 Cb 1.30 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.57 2x1t h ASN 106 CO 0.49 0.43 -0.92 -0.33 -1.65 0.00 0.00 177.43 175.45 2x1t h GLU 107 N 0.89 0.63 -0.48 0.81 3.07 -1.92 -1.13 114.58 116.44 2x1t h GLU 107 Ca 0.45 -0.61 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2x1t h GLU 107 Cb 0.44 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2x1t h GLU 107 CO -0.26 1.22 0.30 0.82 -1.40 0.00 0.00 179.01 179.69 2x1t h ILE 108 N 0.38 1.14 -0.46 3.13 2.04 -1.84 0.28 117.51 122.19 2x1t h ILE 108 Ca -0.09 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2x1t h ILE 108 Cb 1.55 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2x1t h ILE 108 CO 0.17 0.14 0.12 0.58 0.00 0.00 0.00 178.15 179.16 2x1t h VAL 109 N 0.64 1.23 -0.58 1.67 2.07 -1.25 -1.33 116.25 118.71 2x1t h VAL 109 Ca 0.17 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.94 2x1t h VAL 109 Cb -0.04 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2x1t h VAL 109 CO -0.03 0.29 0.32 0.00 0.02 0.00 0.00 177.57 178.16 2x1t h ALA 110 N 0.98 0.76 -0.69 1.67 0.00 -0.97 0.15 119.26 121.16 2x1t h ALA 110 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2x1t h ALA 110 Cb 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2x1t h ALA 110 CO 0.00 -0.01 0.19 -0.44 0.00 0.00 0.00 179.25 178.99 2x1t h ASP 111 N 0.60 1.01 -0.36 0.00 3.32 -0.64 -0.34 116.42 120.02 2x1t h ASP 111 Ca 0.25 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2x1t h ASP 111 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2x1t h ASP 111 CO -0.16 0.96 0.09 0.11 -1.72 0.00 0.00 179.24 178.52 2x1t h LYS 112 N 1.03 0.57 -0.58 3.56 1.57 -0.65 0.07 116.57 122.14 2x1t h LYS 112 Ca 0.22 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2x1t h LYS 112 Cb 0.33 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2x1t h LYS 112 CO -0.00 0.62 0.35 0.28 -0.57 0.00 0.00 179.45 180.13 2x1t h VAL 113 N 0.43 1.06 -0.40 0.50 2.07 -0.29 -1.15 116.25 118.47 2x1t h VAL 113 Ca 0.11 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2x1t h VAL 113 Cb 0.31 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2x1t h VAL 113 CO 0.00 0.13 0.03 0.00 0.02 0.00 0.00 177.57 177.75 2x1t h ALA 114 N 1.25 0.54 -0.55 1.67 0.00 -0.90 -0.97 119.26 120.31 2x1t h ALA 114 Ca 0.23 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2x1t h ALA 114 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2x1t h ALA 114 CO -0.10 0.29 0.36 0.00 0.00 0.00 0.00 179.25 179.80 2x1t h ALA 115 N 0.90 0.70 -0.31 0.00 0.00 -0.70 -1.15 119.26 118.71 2x1t h ALA 115 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2x1t h ALA 115 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2x1t h ALA 115 CO 0.02 0.13 0.14 0.00 0.00 0.00 0.00 179.25 179.54 2x1t h ALA 116 N 1.21 0.40 -0.67 0.00 0.00 -1.00 -0.65 119.26 118.53 2x1t h ALA 116 Ca 0.20 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2x1t h ALA 116 Cb -0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2x1t h ALA 116 CO -0.05 -0.03 0.40 0.28 0.00 0.00 0.00 179.25 179.85 2x1t h VAL 117 N 0.36 1.03 0.00 0.00 2.07 -0.93 -0.84 116.25 117.94 2x1t h VAL 117 Ca 0.11 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 2x1t h VAL 117 Cb 0.14 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2x1t h VAL 117 CO -0.01 0.14 -0.18 0.00 0.02 0.00 0.00 177.57 177.54 2x1t h ALA 118 N 1.32 1.14 -0.34 1.67 0.00 -0.87 -1.91 119.26 120.27 2x1t h ALA 118 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2x1t h ALA 118 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2x1t h ALA 118 CO -0.14 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.76 2x1t n SER 119 N -3.51 2.02 0.00 0.00 7.64 -0.28 -4.92 113.62 114.56 2x1t n SER 119 Ca -0.01 -1.94 0.00 0.00 1.01 0.00 0.00 58.87 57.93 2x1t n SER 119 Cb 0.34 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2x1t n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x1t n GLY 120 N 1.13 0.72 3.86 0.23 0.00 -0.72 -4.92 105.19 105.49 2x1t n GLY 120 Ca 0.14 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 2x1t n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1t s PHE 121 N -2.00 3.45 -0.03 1.61 0.40 -0.51 -4.93 117.98 115.98 2x1t s PHE 121 Ca 0.00 0.98 -0.28 0.00 -0.60 0.00 0.00 56.93 57.03 2x1t s PHE 121 Cb 0.00 -2.34 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 2x1t s PHE 121 CO 0.00 0.27 0.88 -1.64 0.70 0.00 0.00 175.22 175.44 2x1t s MET 122 N -2.66 4.51 -0.16 0.44 -1.94 0.31 -4.44 119.30 115.35 2x1t s MET 122 Ca 0.47 1.23 0.00 0.00 -1.71 0.00 0.00 55.69 55.68 2x1t s MET 122 Cb -0.12 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.26 2x1t s MET 122 CO 0.20 -0.03 -0.16 0.08 -0.01 0.00 0.00 175.02 175.11 2x1t s VAL 123 N 1.00 2.60 -0.48 -6.03 1.01 0.36 -1.56 120.40 117.31 2x1t s VAL 123 Ca 0.47 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.47 2x1t s VAL 123 Cb -0.20 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.13 2x1t s VAL 123 CO 0.24 0.52 0.62 -0.63 0.00 0.00 0.00 175.10 175.84 2x1t s ILE 124 N 0.87 4.87 -0.21 2.22 1.01 0.10 -0.12 121.20 129.94 2x1t s ILE 124 Ca -0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 2x1t s ILE 124 Cb -0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2x1t s ILE 124 CO -0.01 -0.73 0.08 0.00 0.00 0.00 0.00 174.94 174.28 2x1t s ALA 125 N 2.66 3.38 -0.06 9.38 0.00 0.36 -0.93 121.76 136.55 2x1t s ALA 125 Ca 0.17 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 2x1t s ALA 125 Cb -0.18 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2x1t s ALA 125 CO 0.14 -0.02 0.08 0.00 0.00 0.00 0.00 175.76 175.96 2x1t s ILE 127 N -1.06 0.14 0.00 0.00 -4.36 -0.33 -4.57 121.20 111.02 2x1t s ILE 127 Ca 0.18 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2x1t s ILE 127 Cb -0.12 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.77 2x1t s ILE 127 CO 0.08 -0.65 0.00 0.61 0.24 0.00 0.00 174.94 175.22 2x1t n GLY 128 N -0.03 3.59 3.77 6.27 0.00 -1.26 -0.47 105.19 117.06 2x1t n GLY 128 Ca -0.09 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 2x1t n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x1t s GLU 129 N -2.16 2.78 0.83 1.61 1.03 -1.25 -4.84 118.70 116.72 2x1t s GLU 129 Ca 0.00 -0.93 -0.12 0.00 0.03 0.00 0.00 54.97 53.96 2x1t s GLU 129 Cb 0.00 -2.58 0.12 0.00 -0.80 0.00 0.00 34.13 30.87 2x1t s GLU 129 CO 0.00 0.48 1.19 0.95 -1.33 0.00 0.00 175.26 176.54 2x1t s THR 130 N -1.75 2.06 0.12 1.83 -4.23 -1.26 -2.08 115.64 110.33 2x1t s THR 130 Ca 0.30 -0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.52 2x1t s THR 130 Cb -0.10 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.69 2x1t s THR 130 CO 0.22 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.29 2x1t h LEU 131 N -1.13 -0.02 -0.77 4.79 5.85 -1.81 0.90 115.31 123.12 2x1t h LEU 131 Ca -0.45 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.37 2x1t h LEU 131 Cb 1.29 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.30 2x1t h LEU 131 CO 0.55 0.01 0.45 1.56 -0.34 0.00 0.00 178.44 180.67 2x1t h GLN 132 N 0.07 0.78 -0.34 1.25 7.50 -1.96 0.13 115.11 122.55 2x1t h GLN 132 Ca 0.07 -0.05 -0.08 0.00 0.50 0.00 0.00 58.65 59.09 2x1t h GLN 132 Cb 0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 2x1t h GLN 132 CO -0.10 0.52 -0.10 0.93 -1.50 0.00 0.00 178.83 178.58 2x1t h GLU 133 N 0.81 0.67 -0.72 1.46 5.08 -1.84 -1.73 114.58 118.31 2x1t h GLU 133 Ca 0.35 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 2x1t h GLU 133 Cb 0.22 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2x1t h GLU 133 CO -0.19 0.85 0.18 -0.09 -1.00 0.00 0.00 179.01 178.75 2x1t h ARG 134 N 0.45 1.15 0.00 2.33 2.43 -0.23 -0.95 114.38 119.56 2x1t h ARG 134 Ca 0.08 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 2x1t h ARG 134 Cb 0.62 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2x1t h ARG 134 CO 0.04 1.01 -0.12 0.93 -1.51 0.00 0.00 179.97 180.31 2x1t h GLU 135 N 1.08 0.00 -0.06 0.20 5.08 -0.67 -2.00 114.58 118.21 2x1t h GLU 135 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2x1t h GLU 135 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2x1t h GLU 135 CO 0.00 0.12 0.00 -1.13 -1.00 0.00 0.00 179.01 177.01 2x1t n SER 136 N -3.19 0.45 -0.69 1.42 3.41 -0.66 -4.89 113.62 109.48 2x1t n SER 136 Ca 0.02 -1.69 -0.08 0.00 -0.26 0.00 0.00 58.87 56.85 2x1t n SER 136 Cb 0.47 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2x1t n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x1t n GLY 137 N 0.79 0.78 1.02 5.00 0.00 -0.75 -4.94 105.19 107.08 2x1t n GLY 137 Ca 0.10 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.52 2x1t n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1t n ARG 138 N -2.54 2.73 -0.05 1.61 1.74 -0.38 -4.65 116.66 115.13 2x1t n ARG 138 Ca -0.08 -2.93 -0.11 0.00 -0.77 0.00 0.00 57.85 53.95 2x1t n ARG 138 Cb 0.34 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 2x1t n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2x1t h THR 139 N 1.66 0.14 0.31 0.55 2.02 -1.83 -0.59 112.91 115.17 2x1t h THR 139 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2x1t h THR 139 Cb 1.56 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2x1t h THR 139 CO 0.30 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 176.04 2x1t h ALA 140 N 0.23 -0.42 -0.82 6.16 0.00 -1.95 0.63 119.26 123.10 2x1t h ALA 140 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2x1t h ALA 140 Cb 0.61 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2x1t h ALA 140 CO -0.46 -0.71 0.41 -0.24 0.00 0.00 0.00 179.25 178.25 2x1t h VAL 141 N -0.47 1.25 0.28 0.00 3.04 -1.87 0.81 116.25 119.29 2x1t h VAL 141 Ca -0.04 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 64.97 2x1t h VAL 141 Cb 0.35 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2x1t h VAL 141 CO 0.07 0.29 -0.13 0.58 -1.01 0.00 0.00 177.57 177.37 2x1t h VAL 142 N 1.15 0.76 -0.54 1.51 2.07 -0.95 -1.77 116.25 118.47 2x1t h VAL 142 Ca 0.28 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 2x1t h VAL 142 Cb 0.08 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2x1t h VAL 142 CO -0.04 0.12 0.11 0.58 0.02 0.00 0.00 177.57 178.36 2x1t h VAL 143 N -0.69 1.25 0.00 2.57 2.07 -0.73 -1.49 116.25 119.23 2x1t h VAL 143 Ca -0.04 -0.91 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 2x1t h VAL 143 Cb 0.48 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2x1t h VAL 143 CO 0.06 0.33 -0.52 -0.07 0.02 0.00 0.00 177.57 177.39 2x1t h LEU 144 N 0.77 0.00 -0.69 2.57 3.38 -0.93 -2.04 115.31 118.37 2x1t h LEU 144 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2x1t h LEU 144 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2x1t h LEU 144 CO 0.01 0.52 -0.42 0.74 0.09 0.00 0.00 178.44 179.37 2x1t h THR 145 N 0.00 1.31 -0.23 0.22 2.02 -1.06 0.59 112.91 115.75 2x1t h THR 145 Ca -0.01 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.55 2x1t h THR 145 Cb 1.03 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2x1t h THR 145 CO 0.07 0.50 0.02 1.56 0.37 0.00 0.00 175.52 178.04 2x1t h GLN 146 N 0.42 0.39 -0.10 6.66 4.20 -0.92 -2.34 115.11 123.42 2x1t h GLN 146 Ca 0.03 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 2x1t h GLN 146 Cb 0.92 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 2x1t h GLN 146 CO 0.08 0.55 -0.60 0.97 -0.67 0.00 0.00 178.83 179.16 2x1t h ILE 147 N 0.18 1.37 -0.90 2.54 2.10 -1.33 -2.98 117.51 118.48 2x1t h ILE 147 Ca 0.07 -1.94 0.06 0.00 1.08 0.00 0.00 64.86 64.12 2x1t h ILE 147 Cb 0.36 1.95 -0.06 0.00 -1.09 0.00 0.00 36.82 37.99 2x1t h ILE 147 CO 0.01 0.58 0.59 0.00 -1.08 0.00 0.00 178.15 178.25 2x1t h ALA 148 N 1.10 1.49 -0.45 0.18 0.00 -0.78 0.13 119.26 120.93 2x1t h ALA 148 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2x1t h ALA 148 Cb 1.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2x1t h ALA 148 CO 0.10 0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.64 2x1t h ALA 149 N 1.50 0.98 -0.28 0.00 0.00 -1.29 -1.07 119.26 119.10 2x1t h ALA 149 Ca 0.38 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2x1t h ALA 149 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2x1t h ALA 149 CO -0.14 0.61 -0.02 0.82 0.00 0.00 0.00 179.25 180.52 2x1t h ILE 150 N 0.73 1.27 -0.54 0.00 2.04 -1.12 -3.07 117.51 116.81 2x1t h ILE 150 Ca 0.13 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 2x1t h ILE 150 Cb 0.58 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2x1t h ILE 150 CO 0.04 0.31 0.28 0.00 0.00 0.00 0.00 178.15 178.78 2x1t h ALA 151 N 0.81 1.47 -0.44 1.87 0.00 -0.54 -2.60 119.26 119.83 2x1t h ALA 151 Ca 0.08 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2x1t h ALA 151 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2x1t h ALA 151 CO 0.02 0.43 0.29 -0.22 0.00 0.00 0.00 179.25 179.77 2x1t h LYS 152 N 0.76 0.37 -0.20 0.00 3.64 -1.10 -1.40 116.57 118.63 2x1t h LYS 152 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2x1t h LYS 152 Cb 0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2x1t h LYS 152 CO -0.03 0.24 0.00 1.63 -2.27 0.00 0.00 179.45 179.02 2x1t n LYS 153 N -4.48 2.07 -4.31 1.90 4.76 -0.98 -4.92 118.16 112.19 2x1t n LYS 153 Ca 0.05 -1.60 -0.26 0.00 -2.87 0.00 0.00 58.31 53.64 2x1t n LYS 153 Cb 0.23 -1.45 -0.09 0.00 -1.84 0.00 0.00 35.03 31.87 2x1t n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x1t s LEU 154 N -1.65 2.97 0.27 -0.35 1.43 -0.53 -4.80 118.68 116.02 2x1t s LEU 154 Ca 0.34 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 2x1t s LEU 154 Cb 0.20 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2x1t s LEU 154 CO 0.29 0.07 0.32 -1.59 0.23 0.00 0.00 176.35 175.68 2x1t s LYS 155 N -3.10 3.17 0.25 1.70 -2.85 -1.26 -4.96 119.74 112.69 2x1t s LYS 155 Ca 0.27 -0.93 -0.04 0.00 -1.00 0.00 0.00 55.97 54.26 2x1t s LYS 155 Cb -0.08 -2.75 0.41 0.00 -2.06 0.00 0.00 37.83 33.35 2x1t s LYS 155 CO 0.16 0.33 1.81 -0.22 0.10 0.00 0.00 175.35 177.54 2x1t h LYS 156 N 1.23 0.79 -0.01 1.78 3.64 -1.96 0.57 116.57 122.61 2x1t h LYS 156 Ca -0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2x1t h LYS 156 Cb 1.24 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2x1t h LYS 156 CO 0.59 0.52 0.02 0.00 -2.27 0.00 0.00 179.45 178.31 2x1t h ALA 157 N 1.46 1.39 0.00 5.00 0.00 -2.01 -2.44 119.26 122.66 2x1t h ALA 157 Ca 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2x1t h ALA 157 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2x1t h ALA 157 CO -0.25 -0.02 -0.12 -0.44 0.00 0.00 0.00 179.25 178.42 2x1t h ASP 158 N 0.00 0.00 0.49 0.00 3.32 -1.27 -2.90 116.42 116.06 2x1t h ASP 158 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2x1t h ASP 158 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2x1t h ASP 158 CO -0.00 0.12 0.00 -0.50 -1.72 0.00 0.00 179.24 177.14 2x1t h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.55 0.15 115.95 123.16 2x1t h TRP 159 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2x1t h TRP 159 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 2x1t h TRP 159 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 2x1t h ALA 160 N 2.06 1.00 -0.26 1.49 0.00 -1.73 -2.11 119.26 119.71 2x1t h ALA 160 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x1t h ALA 160 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2x1t h ALA 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 2x1t n LYS 161 N -2.54 2.25 -4.75 0.00 4.76 0.51 -4.99 118.16 113.39 2x1t n LYS 161 Ca -0.01 -1.82 -0.32 0.00 -2.87 0.00 0.00 58.31 53.29 2x1t n LYS 161 Cb 0.12 -1.26 -0.12 0.00 -1.84 0.00 0.00 35.03 31.93 2x1t n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x1t s VAL 162 N -0.98 3.11 -0.03 -0.18 1.01 -0.79 -0.48 120.40 122.05 2x1t s VAL 162 Ca 0.21 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2x1t s VAL 162 Cb 0.11 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2x1t s VAL 162 CO 0.16 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 174.95 2x1t s VAL 163 N -0.83 0.89 -0.14 2.92 1.01 0.82 -4.59 120.40 120.48 2x1t s VAL 163 Ca 0.13 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2x1t s VAL 163 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2x1t s VAL 163 CO 0.03 0.28 0.12 -0.63 0.00 0.00 0.00 175.10 174.90 2x1t s ILE 164 N 0.28 5.33 -0.18 2.22 -1.09 -0.53 -0.48 121.20 126.75 2x1t s ILE 164 Ca -0.05 0.15 -0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2x1t s ILE 164 Cb -0.10 -3.35 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 2x1t s ILE 164 CO 0.01 0.56 -0.16 0.00 -1.23 0.00 0.00 174.94 174.13 2x1t s ALA 165 N -0.58 2.47 -0.30 9.38 0.00 -0.11 -0.15 121.76 132.47 2x1t s ALA 165 Ca 0.12 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.73 2x1t s ALA 165 Cb -0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2x1t s ALA 165 CO 0.02 -0.24 0.65 -0.47 0.00 0.00 0.00 175.76 175.73 2x1t s TYR 166 N 1.13 3.22 -0.30 0.00 5.04 -0.10 -1.18 117.35 125.17 2x1t s TYR 166 Ca 0.01 0.65 -0.09 0.00 -2.44 0.00 0.00 57.07 55.20 2x1t s TYR 166 Cb -0.14 -2.99 -0.01 0.00 0.35 0.00 0.00 41.96 39.17 2x1t s TYR 166 CO -0.06 -0.46 0.13 -1.21 -1.34 0.00 0.00 175.55 172.61 2x1t s GLU 167 N 2.63 3.33 -1.25 4.97 2.02 0.38 -0.17 118.70 130.62 2x1t s GLU 167 Ca 0.26 -0.71 -0.19 0.00 0.02 0.00 0.00 54.97 54.35 2x1t s GLU 167 Cb -0.15 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.59 2x1t s GLU 167 CO 0.11 -0.39 1.89 -0.35 0.02 0.00 0.00 175.26 176.54 2x1t n PRO 168 N 4.95 2.58 -0.07 0.39 -0.04 -1.26 -3.74 135.00 137.80 2x1t n PRO 168 Ca -0.14 -2.82 0.14 0.00 -0.04 0.00 0.00 63.50 60.64 2x1t n PRO 168 Cb 0.49 -3.47 0.55 0.00 -0.04 0.00 0.00 33.50 31.03 2x1t n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2x1t h VAL 169 N 5.34 0.84 0.00 0.52 2.07 -1.81 0.21 116.25 123.43 2x1t h VAL 169 Ca 0.41 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2x1t h VAL 169 Cb 0.83 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2x1t h VAL 169 CO 1.52 0.06 0.03 4.11 0.02 0.00 0.00 177.57 183.31 2x1t h TRP 170 N 0.31 0.00 0.00 1.57 5.08 -1.63 -1.73 115.95 119.56 2x1t h TRP 170 Ca 0.28 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.25 2x1t h TRP 170 Cb 0.69 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.84 2x1t h TRP 170 CO -0.00 0.00 -0.46 0.00 -1.28 0.00 0.00 178.44 176.70 2x1t n ALA 171 N -2.01 3.45 -3.91 0.11 0.00 0.74 -4.53 120.51 114.35 2x1t n ALA 171 Ca -0.03 -3.18 -0.30 0.00 0.00 0.00 0.00 53.44 49.93 2x1t n ALA 171 Cb 0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 19.45 19.02 2x1t n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2x1t s ILE 172 N -3.07 1.58 0.00 0.00 1.01 -0.65 -4.70 121.20 115.38 2x1t s ILE 172 Ca 0.37 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.44 2x1t s ILE 172 Cb 0.36 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.81 2x1t s ILE 172 CO -0.06 -0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.11 2x1t n GLY 173 N 4.60 0.65 0.28 6.18 0.00 -1.26 -4.89 105.19 110.74 2x1t n GLY 173 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 2x1t n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x1t n THR 174 N -2.68 0.00 -0.74 2.61 -2.24 -1.26 -4.95 114.28 105.01 2x1t n THR 174 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2x1t n THR 174 Cb 0.00 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2x1t n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2x1t n GLY 175 N 1.14 1.32 3.84 3.38 0.00 -1.26 -5.02 105.19 108.60 2x1t n GLY 175 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2x1t n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x1t s LYS 176 N -0.07 3.99 -0.11 1.61 -0.14 -1.26 -5.07 119.74 118.69 2x1t s LYS 176 Ca 0.00 0.89 0.01 0.00 -1.36 0.00 0.00 55.97 55.51 2x1t s LYS 176 Cb 0.00 -2.21 0.02 0.00 -1.68 0.00 0.00 37.83 33.95 2x1t s LYS 176 CO 0.00 -0.14 -0.12 0.08 -0.76 0.00 0.00 175.35 174.41 2x1t s VAL 177 N -2.42 1.29 0.13 3.17 1.01 -1.26 -4.65 120.40 117.67 2x1t s VAL 177 Ca 0.58 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 2x1t s VAL 177 Cb -0.10 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.99 2x1t s VAL 177 CO 0.26 0.40 0.68 0.00 0.00 0.00 0.00 175.10 176.44 2x1t s ALA 178 N 1.19 3.51 0.25 5.51 0.00 -1.26 -5.08 121.76 125.88 2x1t s ALA 178 Ca -0.04 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.16 2x1t s ALA 178 Cb -0.14 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2x1t s ALA 178 CO -0.04 0.35 0.38 0.95 0.00 0.00 0.00 175.76 177.40 2x1t s THR 179 N -1.17 5.24 0.49 0.00 -4.23 -1.26 -4.98 115.64 109.74 2x1t s THR 179 Ca 0.33 -0.88 0.19 0.00 -1.18 0.00 0.00 61.69 60.16 2x1t s THR 179 Cb -0.21 -3.85 0.35 0.00 1.34 0.00 0.00 72.50 70.13 2x1t s THR 179 CO 0.23 -0.34 2.02 -0.65 -0.54 0.00 0.00 174.62 175.33 2x1t h PRO 180 N 1.19 0.14 -0.28 3.99 0.11 -1.97 -0.57 132.00 134.61 2x1t h PRO 180 Ca -0.51 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 2x1t h PRO 180 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2x1t h PRO 180 CO 0.62 0.09 -0.44 1.96 -0.21 0.00 0.00 178.00 180.02 2x1t h GLN 181 N 0.14 0.71 -0.53 1.05 7.50 -1.98 0.52 115.11 122.52 2x1t h GLN 181 Ca 0.21 -0.38 -0.12 0.00 0.50 0.00 0.00 58.65 58.86 2x1t h GLN 181 Cb 0.65 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 2x1t h GLN 181 CO -0.03 1.00 -0.14 1.96 -1.50 0.00 0.00 178.83 180.13 2x1t h GLN 182 N 0.57 1.03 0.20 1.46 4.20 -1.62 0.29 115.11 121.24 2x1t h GLN 182 Ca 0.04 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 2x1t h GLN 182 Cb 0.98 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2x1t h GLN 182 CO 0.09 1.09 -0.10 0.00 -0.67 0.00 0.00 178.83 179.24 2x1t h ALA 183 N 0.92 -0.27 -0.76 3.87 0.00 -1.01 -2.48 119.26 119.54 2x1t h ALA 183 Ca 0.13 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2x1t h ALA 183 Cb 0.71 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2x1t h ALA 183 CO 0.05 -0.60 0.41 0.37 0.00 0.00 0.00 179.25 179.48 2x1t h GLN 184 N -0.38 0.66 -0.76 0.00 5.75 -0.77 -0.64 115.11 118.96 2x1t h GLN 184 Ca -0.03 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.50 2x1t h GLN 184 Cb 0.29 -0.15 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 2x1t h GLN 184 CO 0.05 0.44 0.45 1.49 -2.65 0.00 0.00 178.83 178.60 2x1t h GLU 185 N 0.68 0.80 -0.18 1.69 4.81 -0.81 0.17 114.58 121.72 2x1t h GLU 185 Ca 0.37 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.43 2x1t h GLU 185 Cb 0.38 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2x1t h GLU 185 CO -0.26 0.53 -0.36 0.00 -0.73 0.00 0.00 179.01 178.18 2x1t h ALA 186 N 1.38 0.29 -0.69 2.92 0.00 -0.84 -2.12 119.26 120.20 2x1t h ALA 186 Ca 0.34 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2x1t h ALA 186 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2x1t h ALA 186 CO -0.18 0.36 0.30 0.45 0.00 0.00 0.00 179.25 180.18 2x1t h HIS 187 N 0.23 1.00 -0.41 0.00 3.86 -0.80 -2.35 115.15 116.68 2x1t h HIS 187 Ca 0.01 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 2x1t h HIS 187 Cb 0.96 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.11 2x1t h HIS 187 CO 0.09 0.75 -0.03 0.00 0.86 0.00 0.00 177.93 179.60 2x1t h ALA 188 N 1.34 0.55 0.00 2.45 0.00 -0.59 -0.17 119.26 122.85 2x1t h ALA 188 Ca 0.24 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2x1t h ALA 188 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2x1t h ALA 188 CO -0.03 0.36 -0.43 1.37 0.00 0.00 0.00 179.25 180.53 2x1t h LEU 189 N 0.57 0.00 -0.09 0.00 8.10 -1.20 0.10 115.31 122.79 2x1t h LEU 189 Ca 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.08 2x1t h LEU 189 Cb 0.52 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.74 2x1t h LEU 189 CO 0.03 0.43 -0.02 0.40 -4.11 0.00 0.00 178.44 175.17 2x1t h ILE 190 N 0.00 1.28 -0.65 0.15 2.04 -1.21 -2.04 117.51 117.08 2x1t h ILE 190 Ca -0.00 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 64.88 2x1t h ILE 190 Cb 0.81 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 2x1t h ILE 190 CO 0.06 0.26 0.17 -0.09 0.00 0.00 0.00 178.15 178.55 2x1t h ARG 191 N -0.14 1.02 -0.78 2.37 2.43 -0.58 -0.96 114.38 117.75 2x1t h ARG 191 Ca 0.02 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2x1t h ARG 191 Cb 0.42 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2x1t h ARG 191 CO 0.01 0.90 0.41 1.03 -1.51 0.00 0.00 179.97 180.81 2x1t h SER 192 N 0.98 0.97 -0.45 -3.80 0.87 -0.80 0.19 113.55 111.50 2x1t h SER 192 Ca 0.21 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 2x1t h SER 192 Cb 0.33 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 2x1t h SER 192 CO -0.00 0.79 0.00 -0.25 -0.53 0.00 0.00 176.83 176.84 2x1t h TRP 193 N 1.09 0.86 -0.61 2.24 7.01 -0.79 -2.16 115.95 123.59 2x1t h TRP 193 Ca 0.27 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 2x1t h TRP 193 Cb 0.04 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 2x1t h TRP 193 CO 0.01 0.84 0.23 0.28 -2.79 0.00 0.00 178.44 177.01 2x1t h VAL 194 N 0.64 1.24 -0.59 2.65 2.07 -0.53 0.00 116.25 121.73 2x1t h VAL 194 Ca 0.13 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.91 2x1t h VAL 194 Cb 0.49 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2x1t h VAL 194 CO 0.02 0.29 0.37 -1.28 0.02 0.00 0.00 177.57 177.00 2x1t h SER 195 N 0.86 0.62 0.20 0.57 0.87 -0.51 0.55 113.55 116.71 2x1t h SER 195 Ca 0.20 -0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.45 2x1t h SER 195 Cb 0.23 -0.14 0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2x1t h SER 195 CO -0.01 0.44 -1.29 0.28 -0.53 0.00 0.00 176.83 175.72 2x1t h SER 196 N 0.74 0.83 0.36 6.23 0.02 -1.09 -2.92 113.55 117.72 2x1t h SER 196 Ca 0.23 -0.79 -0.31 0.00 -0.84 0.00 0.00 61.79 60.08 2x1t h SER 196 Cb -0.02 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.20 2x1t h SER 196 CO -0.08 1.60 -1.89 0.29 -1.14 0.00 0.00 176.83 175.61 2x1t n LYS 197 N -3.75 0.65 -0.07 3.45 4.76 -0.04 -4.66 118.16 118.50 2x1t n LYS 197 Ca -0.14 0.21 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 2x1t n LYS 197 Cb 1.01 -1.72 -0.05 0.00 -1.84 0.00 0.00 35.03 32.43 2x1t n LYS 197 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2x1t n ILE 198 N -2.95 0.75 0.00 -0.18 2.08 0.07 -5.07 119.36 114.06 2x1t n ILE 198 Ca -0.21 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 62.88 2x1t n ILE 198 Cb 1.07 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.50 2x1t n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2x1t n GLY 199 N 2.37 4.29 0.24 7.39 0.00 -0.50 -4.88 105.19 114.11 2x1t n GLY 199 Ca -0.26 -0.63 0.09 0.00 0.00 0.00 0.00 46.02 45.23 2x1t n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x1t h ALA 200 N 0.00 1.36 -0.17 4.61 0.00 -1.78 -0.10 119.26 123.19 2x1t h ALA 200 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2x1t h ALA 200 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x1t h ALA 200 CO 0.00 0.23 -0.09 0.38 0.00 0.00 0.00 179.25 179.77 2x1t h ASP 201 N 0.00 0.36 -0.41 0.00 2.03 -1.93 -1.68 116.42 114.80 2x1t h ASP 201 Ca -0.00 -0.42 -0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2x1t h ASP 201 Cb 0.41 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.79 2x1t h ASP 201 CO 0.02 0.70 0.24 0.58 -1.03 0.00 0.00 179.24 179.76 2x1t h VAL 202 N 0.02 1.13 -0.73 4.15 2.07 -1.80 -2.90 116.25 118.19 2x1t h VAL 202 Ca 0.04 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.32 2x1t h VAL 202 Cb 0.57 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 2x1t h VAL 202 CO 0.03 0.14 0.40 0.00 0.02 0.00 0.00 177.57 178.15 2x1t h ALA 203 N 1.11 1.00 -0.01 1.67 0.00 -0.98 -1.56 119.26 120.49 2x1t h ALA 203 Ca 0.15 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2x1t h ALA 203 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2x1t h ALA 203 CO -0.03 0.05 -0.29 0.78 0.00 0.00 0.00 179.25 179.76 2x1t h GLY 204 N 0.70 0.01 0.49 0.00 0.00 -1.11 -2.96 103.07 100.21 2x1t h GLY 204 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2x1t h GLY 204 CO -0.22 0.01 -1.11 1.18 0.00 0.00 0.00 176.54 176.40 2x1t n GLU 205 N -4.19 0.30 -2.29 4.80 -0.58 -0.97 -4.48 120.64 113.22 2x1t n GLU 205 Ca -0.02 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.28 2x1t n GLU 205 Cb 0.34 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 2x1t n GLU 205 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2x1t s LEU 206 N -3.91 4.37 -0.14 -4.62 2.96 -0.62 -4.82 118.68 111.90 2x1t s LEU 206 Ca 0.03 2.18 -0.26 0.00 -0.22 0.00 0.00 54.13 55.86 2x1t s LEU 206 Cb 0.14 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 2x1t s LEU 206 CO 0.82 -0.57 0.85 -0.13 -1.32 0.00 0.00 176.35 176.00 2x1t s ARG 207 N 1.11 4.35 -0.27 1.98 3.00 -1.26 -4.91 118.95 122.95 2x1t s ARG 207 Ca 0.62 1.08 -0.01 0.00 0.00 0.00 0.00 55.73 57.42 2x1t s ARG 207 Cb -0.33 -3.55 0.04 0.00 0.00 0.00 0.00 34.95 31.11 2x1t s ARG 207 CO 0.30 -0.26 -0.03 0.42 0.00 0.00 0.00 175.30 175.72 2x1t s ILE 208 N 1.88 2.90 0.03 1.52 1.01 -1.26 -1.46 121.20 125.83 2x1t s ILE 208 Ca 0.41 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 2x1t s ILE 208 Cb -0.17 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 2x1t s ILE 208 CO 0.15 0.04 0.30 -0.76 0.00 0.00 0.00 174.94 174.66 2x1t s LEU 209 N 1.28 4.36 -0.12 2.97 1.43 0.78 -0.95 118.68 128.44 2x1t s LEU 209 Ca -0.03 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.41 2x1t s LEU 209 Cb -0.18 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 2x1t s LEU 209 CO -0.03 0.22 0.74 -0.47 0.23 0.00 0.00 176.35 177.04 2x1t s TYR 210 N -1.36 3.50 -0.21 0.29 5.04 -0.01 -0.92 117.35 123.67 2x1t s TYR 210 Ca 0.30 1.22 0.14 0.00 -2.44 0.00 0.00 57.07 56.29 2x1t s TYR 210 Cb -0.13 -2.88 0.49 0.00 0.35 0.00 0.00 41.96 39.79 2x1t s TYR 210 CO 0.18 -0.06 1.40 0.41 -1.34 0.00 0.00 175.55 176.14 2x1t n GLY 211 N 3.32 4.49 0.00 8.97 0.00 0.76 -1.10 105.19 121.63 2x1t n GLY 211 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2x1t n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x1t n GLY 212 N -0.87 1.91 3.68 -0.02 0.00 -1.26 -4.60 105.19 104.03 2x1t n GLY 212 Ca 0.25 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.72 2x1t n GLY 212 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x1t n SER 213 N -1.30 3.44 -3.84 1.61 7.64 -1.26 -4.92 113.62 114.99 2x1t n SER 213 Ca 0.00 1.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.76 2x1t n SER 213 Cb 0.00 -1.41 -0.12 0.00 -1.01 0.00 0.00 64.21 61.67 2x1t n SER 213 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2x1t s VAL 214 N 3.02 0.02 0.22 0.44 1.01 -1.26 -4.99 120.40 118.86 2x1t s VAL 214 Ca 0.87 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.66 2x1t s VAL 214 Cb -0.65 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2x1t s VAL 214 CO 0.46 -0.09 0.32 -0.46 0.00 0.00 0.00 175.10 175.33 2x1t n ASN 215 N 2.65 -0.91 0.31 3.32 2.04 -1.26 -4.97 115.26 116.44 2x1t n ASN 215 Ca -0.15 -2.13 0.19 0.00 -0.44 0.00 0.00 54.58 52.05 2x1t n ASN 215 Cb 0.58 1.66 1.00 0.00 -2.53 0.00 0.00 39.78 40.49 2x1t n ASN 215 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 2x1t h GLY 216 N 1.20 0.00 1.67 4.83 0.00 -1.89 0.21 103.07 109.09 2x1t h GLY 216 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.91 2x1t h GLY 216 CO 0.23 0.00 -1.12 0.50 0.00 0.00 0.00 176.54 176.15 2x1t h LYS 217 N 0.00 0.26 0.00 4.80 6.56 -1.97 -3.40 116.57 122.82 2x1t h LYS 217 Ca -0.00 -0.39 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 2x1t h LYS 217 Cb 0.16 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2x1t h LYS 217 CO 0.00 1.14 -0.18 0.27 -2.06 0.00 0.00 179.45 178.63 2x1t n ASN 218 N -3.57 0.88 -0.03 0.86 6.94 -1.00 -4.67 115.26 114.66 2x1t n ASN 218 Ca -0.07 -0.41 -0.08 0.00 -0.02 0.00 0.00 54.58 53.99 2x1t n ASN 218 Cb 0.95 1.00 -0.03 0.00 -2.36 0.00 0.00 39.78 39.35 2x1t n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2x1t h ALA 219 N 0.01 0.09 -0.91 -2.53 0.00 -0.81 0.12 119.26 115.23 2x1t h ALA 219 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2x1t h ALA 219 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2x1t h ALA 219 CO 0.00 -0.51 0.57 -0.09 0.00 0.00 0.00 179.25 179.22 2x1t h ARG 220 N -0.05 1.23 -0.32 0.00 2.43 -1.80 0.64 114.38 116.51 2x1t h ARG 220 Ca 0.10 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2x1t h ARG 220 Cb 0.19 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2x1t h ARG 220 CO -0.22 0.84 0.05 1.15 -1.51 0.00 0.00 179.97 180.28 2x1t h THR 221 N 1.25 1.24 -0.62 0.20 2.02 -1.67 -2.46 112.91 112.87 2x1t h THR 221 Ca 0.33 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.69 2x1t h THR 221 Cb -0.08 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2x1t h THR 221 CO -0.07 0.27 0.41 -0.07 0.37 0.00 0.00 175.52 176.44 2x1t h LEU 222 N 0.36 0.70 -1.86 2.58 3.38 -0.24 -2.61 115.31 117.62 2x1t h LEU 222 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2x1t h LEU 222 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2x1t h LEU 222 CO 0.01 0.50 -0.14 0.22 0.09 0.00 0.00 178.44 179.12 2x1t h TYR 223 N 0.83 0.00 0.00 1.13 3.20 -0.69 -1.46 116.97 119.98 2x1t h TYR 223 Ca 0.23 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 2x1t h TYR 223 Cb -0.08 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 2x1t h TYR 223 CO -0.03 0.14 -0.01 1.96 -1.64 0.00 0.00 178.16 178.57 2x1t h GLN 224 N 0.00 0.00 -7.01 1.82 1.08 -1.04 -3.44 115.11 106.52 2x1t h GLN 224 Ca -0.00 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.65 2x1t h GLN 224 Cb 0.33 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 27.88 2x1t h GLN 224 CO 0.02 0.01 0.67 -0.65 -0.95 0.00 0.00 178.83 177.93 2x1t s GLN 225 N -3.82 3.46 0.30 1.46 -1.52 -0.55 -4.89 119.66 114.10 2x1t s GLN 225 Ca -0.01 2.37 0.04 0.00 -1.95 0.00 0.00 55.36 55.81 2x1t s GLN 225 Cb 0.10 -2.50 0.67 0.00 -0.22 0.00 0.00 33.01 31.06 2x1t s GLN 225 CO 0.51 -0.98 1.82 -0.09 -0.25 0.00 0.00 175.29 176.30 2x1t h ARG 226 N 1.98 0.84 -0.30 2.91 2.43 -1.89 -3.00 114.38 117.35 2x1t h ARG 226 Ca -0.51 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2x1t h ARG 226 Cb 1.28 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2x1t h ARG 226 CO 0.60 0.55 0.00 -0.25 -1.51 0.00 0.00 179.97 179.36 2x1t n ASP 227 N -4.67 3.76 -4.61 -3.80 9.92 -1.26 -4.93 116.55 110.97 2x1t n ASP 227 Ca 0.21 -2.77 -0.36 0.00 -0.53 0.00 0.00 54.79 51.33 2x1t n ASP 227 Cb 0.46 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.36 2x1t n ASP 227 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2x1t s VAL 228 N -2.39 5.01 -0.17 2.53 1.01 -1.14 -4.62 120.40 120.64 2x1t s VAL 228 Ca 0.39 0.06 0.17 0.00 0.00 0.00 0.00 61.98 62.59 2x1t s VAL 228 Cb 0.29 -3.32 0.37 0.00 0.00 0.00 0.00 36.38 33.73 2x1t s VAL 228 CO 0.11 0.36 1.25 0.59 0.00 0.00 0.00 175.10 177.42 2x1t n ASN 229 N 4.29 2.96 0.00 3.32 4.13 -0.12 -4.85 115.26 124.99 2x1t n ASN 229 Ca -0.16 -2.99 0.00 0.00 1.68 0.00 0.00 54.58 53.12 2x1t n ASN 229 Cb 0.52 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2x1t n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x1t n GLY 230 N -0.98 0.88 3.01 7.41 0.00 -1.26 -1.35 105.19 112.90 2x1t n GLY 230 Ca 0.17 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 2x1t n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x1t s PHE 231 N -2.44 0.08 -0.35 1.61 0.08 -0.47 -0.83 117.98 115.66 2x1t s PHE 231 Ca 0.00 -0.16 -0.00 0.00 0.12 0.00 0.00 56.93 56.88 2x1t s PHE 231 Cb 0.00 -0.07 0.09 0.00 -0.57 0.00 0.00 43.02 42.46 2x1t s PHE 231 CO 0.00 -0.17 0.08 -1.17 -0.10 0.00 0.00 175.22 173.86 2x1t s LEU 232 N -0.93 4.59 0.46 -0.37 2.96 -0.26 -0.35 118.68 124.78 2x1t s LEU 232 Ca -0.10 -1.80 0.03 0.00 -0.22 0.00 0.00 54.13 52.03 2x1t s LEU 232 Cb -0.06 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 2x1t s LEU 232 CO 0.00 -0.39 0.06 0.00 -1.32 0.00 0.00 176.35 174.71 2x1t s ALA 233 N 1.10 3.53 0.59 5.97 0.00 0.74 -4.32 121.76 129.38 2x1t s ALA 233 Ca 0.04 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.02 2x1t s ALA 233 Cb -0.21 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2x1t s ALA 233 CO -0.04 -0.18 1.08 0.20 0.00 0.00 0.00 175.76 176.82 2x1t s GLY 234 N -3.75 2.23 -0.93 0.00 0.00 -1.26 0.28 107.32 103.89 2x1t s GLY 234 Ca 0.15 0.50 -0.24 0.00 0.00 0.00 0.00 44.72 45.13 2x1t s GLY 234 CO 0.09 0.83 1.49 -2.27 0.00 0.00 0.00 173.10 173.25 2x1t s LEU 238 N -4.41 3.38 0.12 0.66 2.96 -1.25 -4.58 118.68 115.56 2x1t s LEU 238 Ca 0.66 -1.08 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 2x1t s LEU 238 Cb -0.18 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 2x1t s LEU 238 CO 0.35 -1.77 0.22 -0.54 -1.32 0.00 0.00 176.35 173.30 2x1t s LYS 239 N 5.47 0.97 0.28 1.98 1.02 -1.26 -5.03 119.74 123.17 2x1t s LYS 239 Ca 0.48 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.41 2x1t s LYS 239 Cb -0.03 0.35 0.57 0.00 -0.52 0.00 0.00 37.83 38.20 2x1t s LYS 239 CO -0.03 -0.33 1.81 -1.35 -0.92 0.00 0.00 175.35 174.53 2x1t h PRO 240 N 2.67 0.83 0.00 -1.68 0.11 -1.96 0.56 132.00 132.53 2x1t h PRO 240 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2x1t h PRO 240 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2x1t h PRO 240 CO 0.53 0.55 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 2x1t n GLU 241 N -4.71 0.17 0.12 1.05 0.00 -1.26 -2.43 120.64 113.59 2x1t n GLU 241 Ca 0.19 0.17 0.11 0.00 0.00 0.00 0.00 57.16 57.62 2x1t n GLU 241 Cb 0.40 -1.50 0.61 0.00 0.00 0.00 0.00 31.44 30.95 2x1t n GLU 241 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2x1t h PHE 242 N 0.00 0.12 -0.89 -1.84 3.57 -1.17 -0.02 116.94 116.70 2x1t h PHE 242 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2x1t h PHE 242 Cb 0.10 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2x1t h PHE 242 CO 0.00 0.07 0.56 0.28 -2.23 0.00 0.00 178.31 176.99 2x1t h VAL 243 N 0.12 1.09 -0.15 1.41 2.07 -1.68 0.11 116.25 119.21 2x1t h VAL 243 Ca 0.11 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 2x1t h VAL 243 Cb 0.30 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2x1t h VAL 243 CO -0.01 0.19 -0.43 0.44 0.02 0.00 0.00 177.57 177.78 2x1t h ASP 244 N 1.05 0.38 -0.22 0.57 3.32 -1.25 -2.12 116.42 118.15 2x1t h ASP 244 Ca 0.37 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2x1t h ASP 244 Cb 0.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2x1t h ASP 244 CO -0.15 0.77 0.06 0.40 -1.72 0.00 0.00 179.24 178.59 2x1t h ILE 245 N 0.29 1.20 -0.27 0.35 2.04 -0.53 -0.83 117.51 119.76 2x1t h ILE 245 Ca 0.02 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.30 2x1t h ILE 245 Cb 0.88 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 2x1t h ILE 245 CO 0.07 0.21 -0.26 0.40 0.00 0.00 0.00 178.15 178.57 2x1t h ILE 246 N 0.18 0.36 0.00 -0.67 2.04 -0.73 -2.17 117.51 116.52 2x1t h ILE 246 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2x1t h ILE 246 Cb 0.26 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2x1t h ILE 246 CO -0.00 0.00 -0.07 0.11 0.00 0.00 0.00 178.15 178.19 2x1t h LYS 247 N -0.26 0.00 0.00 2.37 1.57 -1.22 -1.18 116.57 117.85 2x1t h LYS 247 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2x1t h LYS 247 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2x1t h LYS 247 CO -0.41 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 178.53 2x1t n ALA 248 N -2.25 1.71 -0.86 3.86 0.00 -0.33 -3.77 120.51 118.87 2x1t n ALA 248 Ca -0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 2x1t n ALA 248 Cb 0.18 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2x1t n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2x1t n THR 249 N -1.72 2.65 -0.82 0.00 -2.24 -0.45 -4.53 114.28 107.18 2x1t n THR 249 Ca 0.03 -1.48 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 2x1t n THR 249 Cb 0.20 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 2x1t n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50