#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crm s SER 2 N 0.00 -0.61 -0.15 1.61 0.01 -1.26 -5.18 113.70 108.12 2crm s SER 2 Ca 0.00 0.70 -0.32 0.00 1.31 0.00 0.00 55.95 57.64 2crm s SER 2 Cb 0.00 1.64 0.13 0.00 0.21 0.00 0.00 66.02 68.01 2crm s SER 2 CO 0.00 -0.12 1.12 -0.55 0.41 0.00 0.00 173.24 174.10 2crm s SER 3 N 2.58 -0.21 0.00 2.44 0.15 -1.26 -5.19 113.70 112.21 2crm s SER 3 Ca -0.01 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2crm s SER 3 Cb -0.08 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2crm s SER 3 CO -0.16 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2crm n GLY 4 N 0.04 1.17 3.65 9.45 0.00 -1.26 -5.18 105.19 113.05 2crm n GLY 4 Ca -0.03 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 2crm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crm s SER 5 N 0.00 3.52 0.00 1.61 1.04 -1.26 -5.11 113.70 113.50 2crm s SER 5 Ca 0.00 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 54.74 2crm s SER 5 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2crm s SER 5 CO 0.00 -0.92 0.00 -0.24 0.98 0.00 0.00 173.24 173.06 2crm n SER 6 N -1.34 0.00 -3.02 7.02 2.88 -1.26 -5.08 113.62 112.82 2crm n SER 6 Ca -0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.27 2crm n SER 6 Cb 0.66 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.18 2crm n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crm n GLY 7 N 2.41 -0.70 3.88 0.46 0.00 -1.26 -5.02 105.19 104.96 2crm n GLY 7 Ca 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 2crm n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crm s VAL 8 N -3.33 5.35 -0.22 1.61 1.01 -1.26 -5.10 120.40 118.46 2crm s VAL 8 Ca 0.28 -0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 2crm s VAL 8 Cb -0.04 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.97 2crm s VAL 8 CO 0.63 0.40 0.78 0.54 0.00 0.00 0.00 175.10 177.45 2crm s VAL 9 N -1.24 0.00 -0.19 2.92 0.11 -1.26 -5.18 120.40 115.57 2crm s VAL 9 Ca 0.24 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 2crm s VAL 9 Cb -0.12 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.86 2crm s VAL 9 CO 0.15 0.00 1.03 -0.70 -3.33 0.00 0.00 175.10 172.25 2crm s GLU 10 N -0.06 0.54 -0.38 1.54 2.12 -1.26 -5.13 118.70 116.07 2crm s GLU 10 Ca -0.02 0.20 -0.18 0.00 0.36 0.00 0.00 54.97 55.32 2crm s GLU 10 Cb -0.04 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.62 2crm s GLU 10 CO 0.02 -0.16 0.52 -0.06 -0.54 0.00 0.00 175.26 175.04 2crm s PHE 11 N -0.90 3.16 0.02 5.30 0.40 -1.26 -5.05 117.98 119.64 2crm s PHE 11 Ca -0.00 0.03 0.04 0.00 -0.60 0.00 0.00 56.93 56.40 2crm s PHE 11 Cb -0.01 -3.00 -0.02 0.00 0.51 0.00 0.00 43.02 40.51 2crm s PHE 11 CO -0.00 -0.63 -0.12 0.99 0.70 0.00 0.00 175.22 176.16 2crm s THR 12 N 2.42 0.95 0.52 0.64 2.01 -1.26 -5.14 115.64 115.79 2crm s THR 12 Ca 0.18 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2crm s THR 12 Cb -0.15 -0.84 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2crm s THR 12 CO 0.14 0.08 1.17 0.42 -0.69 0.00 0.00 174.62 175.75 2crm s THR 13 N -0.62 2.98 -0.21 -0.82 -4.23 -1.26 -5.05 115.64 106.44 2crm s THR 13 Ca 0.02 0.66 -0.27 0.00 -1.18 0.00 0.00 61.69 60.92 2crm s THR 13 Cb -0.06 -3.30 0.11 0.00 1.34 0.00 0.00 72.50 70.59 2crm s THR 13 CO 0.00 -0.08 0.92 0.00 -0.54 0.00 0.00 174.62 174.93 2crm n PRO 15 N 1.65 -2.18 -3.05 0.00 -0.04 -1.26 -5.02 135.00 125.10 2crm n PRO 15 Ca -0.13 -0.96 -0.36 0.00 -0.04 0.00 0.00 63.50 62.02 2crm n PRO 15 Cb 0.56 -0.90 -0.06 0.00 -0.04 0.00 0.00 33.50 33.07 2crm n PRO 15 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2crm s ASP 16 N -3.12 7.06 0.53 3.54 1.11 -1.26 -4.92 116.67 119.61 2crm s ASP 16 Ca 0.39 1.47 -0.21 0.00 0.18 0.00 0.00 52.55 54.38 2crm s ASP 16 Cb -0.04 -2.44 -0.05 0.00 1.07 0.00 0.00 42.92 41.46 2crm s ASP 16 CO 0.30 -0.02 1.26 -0.54 1.18 0.00 0.00 175.17 177.34 2crm s LYS 17 N -2.14 3.30 0.00 8.23 1.02 -1.26 -4.26 119.74 124.62 2crm s LYS 17 Ca 0.46 1.98 0.00 0.00 0.02 0.00 0.00 55.97 58.43 2crm s LYS 17 Cb -0.16 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 2crm s LYS 17 CO 0.21 -0.98 0.00 -0.35 -0.92 0.00 0.00 175.35 173.30 2crm n PRO 18 N -0.99 0.22 -5.30 -1.68 -0.04 -1.26 -4.32 135.00 121.62 2crm n PRO 18 Ca 0.10 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 2crm n PRO 18 Cb 0.47 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.77 2crm n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2crm s GLY 19 N -1.57 1.27 0.09 0.55 0.00 -1.23 -4.73 107.32 101.69 2crm s GLY 19 Ca 0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 44.72 43.24 2crm s GLY 19 CO 0.00 -0.92 1.29 1.39 0.00 0.00 0.00 173.10 174.86 2crm n ILE 20 N 2.46 0.12 -0.40 0.90 5.41 -1.26 -4.69 119.36 121.90 2crm n ILE 20 Ca -0.16 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2crm n ILE 20 Cb 0.51 -0.73 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 2crm n ILE 20 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2crm n PRO 21 N 2.32 -0.66 -4.15 0.38 -0.04 -1.26 -4.71 135.00 126.88 2crm n PRO 21 Ca 0.18 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 2crm n PRO 21 Cb 0.19 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.56 2crm n PRO 21 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2crm s VAL 22 N -0.82 4.78 0.15 0.52 1.01 -1.17 -4.88 120.40 120.00 2crm s VAL 22 Ca 0.00 -0.06 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 2crm s VAL 22 Cb 0.00 -3.06 -0.17 0.00 0.00 0.00 0.00 36.38 33.15 2crm s VAL 22 CO 0.00 0.58 1.04 1.17 0.00 0.00 0.00 175.10 177.89 2crm n LYS 23 N 2.35 0.78 -2.23 2.72 0.00 -1.26 -3.77 118.16 116.75 2crm n LYS 23 Ca -0.19 0.28 -0.41 0.00 0.00 0.00 0.00 58.31 57.99 2crm n LYS 23 Cb 0.54 -1.69 -0.03 0.00 0.00 0.00 0.00 35.03 33.85 2crm n LYS 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2crm s PRO 24 N -0.46 4.39 0.41 1.64 0.04 -1.26 -4.62 135.00 135.13 2crm s PRO 24 Ca 0.74 2.04 0.07 0.00 0.04 0.00 0.00 61.00 63.90 2crm s PRO 24 Cb -0.93 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.35 2crm s PRO 24 CO 0.54 -0.26 0.14 -1.12 0.04 0.00 0.00 177.00 176.34 2crm s SER 25 N 0.39 4.28 -0.20 6.66 0.01 0.83 -4.82 113.70 120.85 2crm s SER 25 Ca 0.57 -1.15 -0.19 0.00 1.31 0.00 0.00 55.95 56.48 2crm s SER 25 Cb -0.36 -0.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 2crm s SER 25 CO 0.37 -0.52 0.55 -0.69 0.41 0.00 0.00 173.24 173.37 2crm s VAL 26 N -2.63 5.08 -0.22 3.43 1.01 -1.26 0.15 120.40 125.96 2crm s VAL 26 Ca 0.40 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.41 2crm s VAL 26 Cb 0.05 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2crm s VAL 26 CO 0.21 0.15 -0.14 -0.75 0.00 0.00 0.00 175.10 174.58 2crm s LYS 27 N 1.73 2.48 0.00 2.72 2.20 -1.08 -4.96 119.74 122.84 2crm s LYS 27 Ca 0.25 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 2crm s LYS 27 Cb -0.16 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.51 2crm s LYS 27 CO 0.10 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 2crm n GLY 28 N 4.56 0.44 3.13 5.54 0.00 -1.26 -4.71 105.19 112.89 2crm n GLY 28 Ca -0.17 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 2crm n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2crm s LYS 29 N 0.00 2.71 -0.24 1.61 2.20 -1.26 -5.09 119.74 119.66 2crm s LYS 29 Ca 0.00 -0.74 -0.25 0.00 -0.36 0.00 0.00 55.97 54.61 2crm s LYS 29 Cb 0.00 -2.20 -0.00 0.00 -1.51 0.00 0.00 37.83 34.12 2crm s LYS 29 CO 0.00 -0.00 0.87 0.42 -0.36 0.00 0.00 175.35 176.28 2crm s ILE 30 N 0.80 4.80 0.04 5.43 1.01 -1.26 -4.54 121.20 127.49 2crm s ILE 30 Ca -0.09 1.64 -0.30 0.00 0.00 0.00 0.00 60.65 61.91 2crm s ILE 30 Cb -0.16 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2crm s ILE 30 CO -0.00 -0.10 0.98 -1.00 0.00 0.00 0.00 174.94 174.81 2crm s HIS 31 N 2.92 3.71 0.49 3.97 3.76 0.21 -4.88 115.29 125.47 2crm s HIS 31 Ca 0.37 1.73 0.38 0.00 -0.15 0.00 0.00 55.06 57.39 2crm s HIS 31 Cb -0.15 -3.10 1.32 0.00 1.11 0.00 0.00 32.58 31.75 2crm s HIS 31 CO 0.07 0.04 1.28 0.43 -0.85 0.00 0.00 174.74 175.71 2crm n SER 32 N 3.46 0.00 -0.00 1.40 7.64 -1.26 -1.77 113.62 123.09 2crm n SER 32 Ca 0.05 0.80 -0.00 0.00 1.01 0.00 0.00 58.87 60.72 2crm n SER 32 Cb 0.50 -0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2crm n SER 32 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2crm n HIS 33 N -3.47 0.01 -4.10 1.43 8.25 -1.26 -3.39 115.22 112.69 2crm n HIS 33 Ca 0.34 0.01 -0.28 0.00 -0.26 0.00 0.00 57.72 57.53 2crm n HIS 33 Cb 1.63 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 32.58 2crm n HIS 33 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2crm s SER 34 N -3.83 4.51 0.22 0.41 0.01 -0.73 -4.02 113.70 110.28 2crm s SER 34 Ca -0.01 -1.32 -0.20 0.00 1.31 0.00 0.00 55.95 55.74 2crm s SER 34 Cb 0.00 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.62 2crm s SER 34 CO 0.01 -1.00 0.61 0.72 0.41 0.00 0.00 173.24 173.99 2crm s PHE 35 N -2.78 -0.20 -0.14 2.43 -0.71 -1.26 0.67 117.98 115.99 2crm s PHE 35 Ca 0.28 -0.16 -0.04 0.00 -1.04 0.00 0.00 56.93 55.97 2crm s PHE 35 Cb -0.01 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 2crm s PHE 35 CO 0.17 -1.02 -0.00 0.15 -1.34 0.00 0.00 175.22 173.17 2crm s LYS 36 N -3.87 3.55 0.33 1.99 1.02 -1.26 -2.52 119.74 118.97 2crm s LYS 36 Ca 0.09 -0.45 0.10 0.00 0.02 0.00 0.00 55.97 55.73 2crm s LYS 36 Cb -0.03 -2.95 -0.06 0.00 -0.52 0.00 0.00 37.83 34.28 2crm s LYS 36 CO -0.01 0.38 -0.08 0.96 -0.92 0.00 0.00 175.35 175.69 2crm s ILE 37 N 0.01 2.46 -0.17 2.17 -4.36 -0.90 -2.62 121.20 117.79 2crm s ILE 37 Ca 0.02 -2.16 -0.12 0.00 -0.26 0.00 0.00 60.65 58.13 2crm s ILE 37 Cb -0.13 -2.64 0.05 0.00 1.25 0.00 0.00 42.46 41.00 2crm s ILE 37 CO 0.02 -0.25 0.43 0.42 0.24 0.00 0.00 174.94 175.81 2crm s THR 38 N -2.55 -0.01 0.19 8.37 -4.23 0.12 -2.37 115.64 115.16 2crm s THR 38 Ca 0.33 0.05 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 2crm s THR 38 Cb -0.00 -0.63 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 2crm s THR 38 CO 0.17 0.02 -0.04 -1.66 -0.54 0.00 0.00 174.62 172.57 2crm s TRP 39 N 0.88 2.73 0.19 3.99 -2.14 -0.99 -0.12 118.94 123.48 2crm s TRP 39 Ca -0.05 -0.19 -0.00 0.00 2.66 0.00 0.00 56.10 58.52 2crm s TRP 39 Cb -0.06 -1.30 -0.04 0.00 -3.10 0.00 0.00 33.47 28.97 2crm s TRP 39 CO -0.07 0.54 0.37 -0.51 -2.66 0.00 0.00 176.95 174.61 2crm s ASP 40 N -3.04 6.38 0.70 -2.66 1.11 -1.25 -4.80 116.67 113.12 2crm s ASP 40 Ca 0.27 0.36 -0.13 0.00 0.18 0.00 0.00 52.55 53.22 2crm s ASP 40 Cb -0.08 -1.99 0.02 0.00 1.07 0.00 0.00 42.92 41.93 2crm s ASP 40 CO 0.17 -0.02 1.10 -2.16 1.18 0.00 0.00 175.17 175.45 2crm s PRO 41 N -3.27 2.61 0.45 8.23 0.04 -1.26 -3.03 135.00 138.77 2crm s PRO 41 Ca 0.38 1.31 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 2crm s PRO 41 Cb -0.11 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 2crm s PRO 41 CO 0.29 -1.39 1.17 -1.25 0.04 0.00 0.00 177.00 175.86 2crm s PRO 42 N -4.38 3.80 -0.16 0.56 0.04 -1.26 -4.60 135.00 129.00 2crm s PRO 42 Ca 0.65 1.78 0.05 0.00 0.04 0.00 0.00 61.00 63.52 2crm s PRO 42 Cb -0.19 -2.44 -0.23 0.00 0.04 0.00 0.00 34.50 31.67 2crm s PRO 42 CO 0.47 -0.52 0.21 1.17 0.04 0.00 0.00 177.00 178.37 2crm n LYS 43 N -0.41 0.69 -1.32 4.56 3.00 -1.26 -4.30 118.16 119.12 2crm n LYS 43 Ca 0.07 0.19 -0.32 0.00 -0.00 0.00 0.00 58.31 58.25 2crm n LYS 43 Cb 0.48 -1.64 0.06 0.00 0.00 0.00 0.00 35.03 33.93 2crm n LYS 43 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2crm n ASP 44 N -3.18 7.40 -4.59 3.14 2.03 -1.26 -4.97 116.55 115.12 2crm n ASP 44 Ca -0.33 -3.63 -0.41 0.00 0.52 0.00 0.00 54.79 50.94 2crm n ASP 44 Cb 1.06 -1.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 2crm n ASP 44 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2crm s ASN 45 N -1.26 5.25 0.00 1.67 4.22 -1.26 -3.52 114.94 120.04 2crm s ASN 45 Ca 0.57 1.62 0.00 0.00 -2.14 0.00 0.00 52.86 52.90 2crm s ASN 45 Cb 0.44 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 40.46 2crm s ASN 45 CO -0.07 -2.16 0.00 0.61 -2.04 0.00 0.00 177.10 173.45 2crm n GLY 46 N 5.79 -3.29 1.17 0.45 0.00 -1.26 -4.76 105.19 103.30 2crm n GLY 46 Ca 0.31 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.15 2crm n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crm n GLY 47 N 0.10 2.38 2.88 -0.02 0.00 -1.26 -4.68 105.19 104.58 2crm n GLY 47 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2crm n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm s ALA 48 N -0.69 1.85 -0.03 4.61 0.00 -1.26 -4.81 121.76 121.44 2crm s ALA 48 Ca 0.10 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2crm s ALA 48 Cb 0.09 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.65 2crm s ALA 48 CO 0.02 -1.35 1.49 0.99 0.00 0.00 0.00 175.76 176.91 2crm s THR 49 N 1.44 3.67 0.46 0.00 2.01 -1.26 -4.81 115.64 117.15 2crm s THR 49 Ca 0.00 0.97 -0.16 0.00 0.31 0.00 0.00 61.69 62.81 2crm s THR 49 Cb -0.18 -3.62 -0.13 0.00 0.01 0.00 0.00 72.50 68.57 2crm s THR 49 CO -0.11 -0.04 -0.13 -0.38 -0.69 0.00 0.00 174.62 173.27 2crm n ILE 50 N 5.01 0.00 -0.03 1.82 2.08 -1.26 -4.71 119.36 122.28 2crm n ILE 50 Ca 0.15 -0.44 -0.03 0.00 0.56 0.00 0.00 62.75 62.99 2crm n ILE 50 Cb 0.43 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.28 2crm n ILE 50 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2crm n ASN 51 N 2.24 3.64 -3.52 4.38 2.85 -1.06 -4.97 115.26 118.82 2crm n ASN 51 Ca 0.07 -0.01 -0.12 0.00 -0.11 0.00 0.00 54.58 54.40 2crm n ASN 51 Cb 0.42 0.35 -0.04 0.00 1.24 0.00 0.00 39.78 41.74 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2crm s LYS 52 N -2.13 0.90 -0.38 1.20 2.20 -1.25 -4.96 119.74 115.33 2crm s LYS 52 Ca -0.05 -0.03 -0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2crm s LYS 52 Cb 0.02 0.42 0.09 0.00 -1.51 0.00 0.00 37.83 36.85 2crm s LYS 52 CO 0.19 -0.33 0.14 0.71 -0.36 0.00 0.00 175.35 175.70 2crm s TYR 53 N -2.06 3.53 0.15 4.03 2.02 -1.13 -2.90 117.35 121.00 2crm s TYR 53 Ca -0.02 -2.34 0.03 0.00 -0.37 0.00 0.00 57.07 54.36 2crm s TYR 53 Cb -0.01 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 2crm s TYR 53 CO -0.01 -0.93 0.28 0.08 -1.57 0.00 0.00 175.55 173.40 2crm s VAL 54 N 1.15 5.28 0.03 0.71 1.01 -1.24 -3.51 120.40 123.82 2crm s VAL 54 Ca 0.05 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2crm s VAL 54 Cb -0.22 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2crm s VAL 54 CO -0.04 -0.09 -0.11 -0.69 0.00 0.00 0.00 175.10 174.17 2crm s VAL 55 N -1.74 0.88 0.03 2.92 1.01 -0.91 -2.97 120.40 119.62 2crm s VAL 55 Ca 0.34 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.51 2crm s VAL 55 Cb -0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2crm s VAL 55 CO 0.28 -0.05 -0.20 -1.61 0.00 0.00 0.00 175.10 173.52 2crm s GLU 56 N -1.05 1.36 -0.01 2.72 8.01 -0.62 -1.51 118.70 127.60 2crm s GLU 56 Ca -0.01 -0.87 0.02 0.00 0.01 0.00 0.00 54.97 54.12 2crm s GLU 56 Cb -0.07 -1.43 0.00 0.00 -4.31 0.00 0.00 34.13 28.31 2crm s GLU 56 CO 0.01 0.37 -0.05 1.41 0.01 0.00 0.00 175.26 177.01 2crm s MET 57 N -1.04 0.49 0.30 1.61 1.75 -1.19 -0.74 119.30 120.47 2crm s MET 57 Ca 0.07 -0.17 0.09 0.00 -1.25 0.00 0.00 55.69 54.43 2crm s MET 57 Cb -0.08 -0.49 -0.04 0.00 2.84 0.00 0.00 34.83 37.06 2crm s MET 57 CO 0.01 0.08 0.03 0.00 -0.65 0.00 0.00 175.02 174.49 2crm s ALA 58 N 0.07 3.24 -0.52 4.11 0.00 0.89 -3.99 121.76 125.56 2crm s ALA 58 Ca -0.00 -1.75 -0.27 0.00 0.00 0.00 0.00 51.96 49.94 2crm s ALA 58 Cb -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2crm s ALA 58 CO -0.00 0.18 1.95 -2.00 0.00 0.00 0.00 175.76 175.88 2crm s GLU 59 N -3.72 2.70 0.22 0.00 2.12 -1.26 -3.25 118.70 115.51 2crm s GLU 59 Ca 0.33 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.61 2crm s GLU 59 Cb -0.04 -4.38 0.00 0.00 0.26 0.00 0.00 34.13 29.97 2crm s GLU 59 CO 0.20 -2.63 0.00 0.41 -0.54 0.00 0.00 175.26 172.71 2crm n GLY 60 N 5.69 0.43 0.05 -1.50 0.00 -1.17 -3.69 105.19 105.00 2crm n GLY 60 Ca 0.24 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 2crm n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2crm h SER 61 N 0.00 0.00 -3.51 1.61 0.02 -1.88 -3.35 113.55 106.44 2crm h SER 61 Ca 0.00 -0.21 -0.57 0.00 -0.84 0.00 0.00 61.79 60.17 2crm h SER 61 Cb 0.00 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 2crm h SER 61 CO 0.00 0.22 0.89 0.20 -1.14 0.00 0.00 176.83 177.00 2crm s ASN 62 N -5.41 6.78 0.00 3.07 -0.87 -1.24 -4.83 114.94 112.43 2crm s ASN 62 Ca -0.14 0.76 0.00 0.00 -1.57 0.00 0.00 52.86 51.90 2crm s ASN 62 Cb 0.04 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.72 2crm s ASN 62 CO 0.67 -1.07 0.00 0.61 -2.57 0.00 0.00 177.10 174.73 2crm n GLY 63 N 4.37 3.37 2.74 0.66 0.00 -1.25 -4.68 105.19 110.39 2crm n GLY 63 Ca 0.12 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 2crm n GLY 63 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2crm n ASN 64 N 0.00 7.54 -4.17 1.61 0.23 -1.26 -4.37 115.26 114.84 2crm n ASN 64 Ca 0.00 -3.82 -0.40 0.00 -0.53 0.00 0.00 54.58 49.83 2crm n ASN 64 Cb 0.00 -1.03 -0.07 0.00 -2.08 0.00 0.00 39.78 36.59 2crm n ASN 64 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2crm s LYS 65 N -4.00 2.88 -0.13 -3.83 2.47 -1.26 -5.06 119.74 110.81 2crm s LYS 65 Ca 0.56 -2.50 -0.13 0.00 -1.56 0.00 0.00 55.97 52.34 2crm s LYS 65 Cb 0.46 -3.94 -0.05 0.00 -1.46 0.00 0.00 37.83 32.84 2crm s LYS 65 CO -0.30 -1.21 0.29 -1.58 0.16 0.00 0.00 175.35 172.71 2crm s TRP 66 N 0.02 3.53 0.05 4.03 0.52 -1.26 -4.14 118.94 121.69 2crm s TRP 66 Ca 0.17 0.65 -0.16 0.00 0.02 0.00 0.00 56.10 56.79 2crm s TRP 66 Cb -0.17 -2.26 0.03 0.00 -1.15 0.00 0.00 33.47 29.91 2crm s TRP 66 CO -0.05 0.39 0.35 -1.83 0.02 0.00 0.00 176.95 175.84 2crm s GLU 67 N -0.06 0.87 0.32 4.98 -1.05 -1.26 -4.97 118.70 117.54 2crm s GLU 67 Ca 0.17 -0.47 -0.29 0.00 -0.15 0.00 0.00 54.97 54.23 2crm s GLU 67 Cb -0.13 0.38 -0.11 0.00 -0.44 0.00 0.00 34.13 33.83 2crm s GLU 67 CO 0.05 -0.29 1.53 1.41 0.95 0.00 0.00 175.26 178.91 2crm s MET 68 N -2.63 4.15 0.00 -4.83 -2.45 -1.26 -3.16 119.30 109.11 2crm s MET 68 Ca -0.04 2.52 0.00 0.00 -1.25 0.00 0.00 55.69 56.92 2crm s MET 68 Cb -0.01 -3.02 0.00 0.00 1.25 0.00 0.00 34.83 33.06 2crm s MET 68 CO -0.04 -0.55 0.00 0.44 1.05 0.00 0.00 175.02 175.92 2crm n ILE 69 N 1.58 0.00 -3.83 10.11 -5.35 -0.57 -4.95 119.36 116.35 2crm n ILE 69 Ca 0.05 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.41 2crm n ILE 69 Cb 0.39 -0.49 -0.09 0.00 -1.74 0.00 0.00 39.64 37.70 2crm n ILE 69 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2crm s TYR 70 N -1.77 -0.03 0.04 4.28 6.14 -1.25 -5.03 117.35 119.73 2crm s TYR 70 Ca 0.00 -0.01 -0.22 0.00 0.64 0.00 0.00 57.07 57.47 2crm s TYR 70 Cb 0.00 0.00 0.05 0.00 0.42 0.00 0.00 41.96 42.43 2crm s TYR 70 CO 0.00 -0.34 0.51 -1.54 0.64 0.00 0.00 175.55 174.83 2crm s SER 71 N -1.44 -0.43 0.00 4.32 1.04 -1.26 -2.13 113.70 113.80 2crm s SER 71 Ca -0.13 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2crm s SER 71 Cb -0.06 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2crm s SER 71 CO 0.02 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2crm n GLY 72 N 0.45 -0.90 2.84 7.32 0.00 -1.23 -4.99 105.19 108.69 2crm n GLY 72 Ca -0.18 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2crm n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm n ALA 73 N -0.41 5.54 -3.62 4.61 0.00 -1.26 -2.83 120.51 122.55 2crm n ALA 73 Ca 0.00 -4.44 -0.11 0.00 0.00 0.00 0.00 53.44 48.89 2crm n ALA 73 Cb 0.00 -2.73 -0.07 0.00 0.00 0.00 0.00 19.45 16.65 2crm n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2crm s THR 74 N -0.97 0.00 -0.58 0.00 2.01 -1.26 -5.05 115.64 109.80 2crm s THR 74 Ca 0.39 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 2crm s THR 74 Cb 0.10 -1.00 0.24 0.00 0.01 0.00 0.00 72.50 71.85 2crm s THR 74 CO 0.02 0.00 2.30 -2.11 -0.69 0.00 0.00 174.62 174.13 2crm n ARG 75 N 1.97 2.44 -3.64 4.92 1.85 -1.26 -4.82 116.66 118.12 2crm n ARG 75 Ca -0.13 -2.70 -0.06 0.00 -1.00 0.00 0.00 57.85 53.96 2crm n ARG 75 Cb 0.56 -2.11 -0.07 0.00 -1.05 0.00 0.00 32.46 29.79 2crm n ARG 75 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2crm s GLU 76 N -2.77 0.28 0.07 2.89 -1.05 -1.26 -2.34 118.70 114.52 2crm s GLU 76 Ca 0.53 0.30 -0.26 0.00 -0.15 0.00 0.00 54.97 55.39 2crm s GLU 76 Cb 0.40 0.14 0.07 0.00 -0.44 0.00 0.00 34.13 34.29 2crm s GLU 76 CO -0.20 -0.04 0.64 -1.58 0.95 0.00 0.00 175.26 175.03 2crm s HIS 77 N 0.01 -0.59 -0.40 4.83 2.46 -1.00 -5.02 115.29 115.58 2crm s HIS 77 Ca 0.05 0.66 -0.12 0.00 0.47 0.00 0.00 55.06 56.12 2crm s HIS 77 Cb -0.05 0.50 0.04 0.00 -0.13 0.00 0.00 32.58 32.95 2crm s HIS 77 CO -0.10 -0.75 0.26 -1.17 -2.47 0.00 0.00 174.74 170.51 2crm s LEU 78 N -2.11 5.02 -1.04 8.88 2.96 -1.26 -2.11 118.68 129.02 2crm s LEU 78 Ca -0.04 -1.13 -0.23 0.00 -0.22 0.00 0.00 54.13 52.52 2crm s LEU 78 Cb -0.01 -2.07 0.05 0.00 0.50 0.00 0.00 46.19 44.66 2crm s LEU 78 CO -0.04 -0.47 1.50 0.00 -1.32 0.00 0.00 176.35 176.03 2crm n ASP 80 N 9.16 -0.08 -3.18 0.00 5.75 -1.26 -3.98 116.55 122.96 2crm n ASP 80 Ca 0.35 -1.17 -0.20 0.00 -0.01 0.00 0.00 54.79 53.75 2crm n ASP 80 Cb 0.50 -0.44 0.07 0.00 -1.03 0.00 0.00 41.12 40.23 2crm n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2crm n ARG 81 N -2.27 -6.81 -4.38 0.11 1.74 -1.26 -5.00 116.66 98.79 2crm n ARG 81 Ca 0.07 0.72 -0.31 0.00 -0.77 0.00 0.00 57.85 57.57 2crm n ARG 81 Cb 0.25 -5.44 -0.10 0.00 -1.02 0.00 0.00 32.46 26.15 2crm n ARG 81 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2crm s LEU 82 N -6.40 3.02 -0.11 0.55 1.43 -1.26 -5.07 118.68 110.85 2crm s LEU 82 Ca 0.45 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 2crm s LEU 82 Cb -0.20 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2crm s LEU 82 CO 0.63 0.23 0.20 0.21 0.23 0.00 0.00 176.35 177.85 2crm s ASN 83 N -1.82 6.45 0.68 2.29 3.84 -1.26 -4.30 114.94 120.82 2crm s ASN 83 Ca 0.19 0.54 -0.14 0.00 0.21 0.00 0.00 52.86 53.66 2crm s ASN 83 Cb -0.11 -2.11 0.01 0.00 -0.55 0.00 0.00 41.25 38.49 2crm s ASN 83 CO 0.10 0.35 1.11 -2.16 -2.79 0.00 0.00 177.10 173.71 2crm s PRO 84 N -0.80 2.71 -1.24 0.43 0.04 -1.22 -3.92 135.00 131.01 2crm s PRO 84 Ca 0.16 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 2crm s PRO 84 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2crm s PRO 84 CO 0.05 -1.31 1.05 0.41 0.04 0.00 0.00 177.00 177.24 2crm n GLY 85 N -0.64 -0.41 3.30 0.56 0.00 -0.74 -4.84 105.19 102.42 2crm n GLY 85 Ca 0.10 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 2crm n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm s PHE 87 N -2.70 2.66 -0.29 0.00 0.08 -1.26 -3.20 117.98 113.27 2crm s PHE 87 Ca -0.04 0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.89 2crm s PHE 87 Cb -0.00 -2.92 0.14 0.00 -0.57 0.00 0.00 43.02 39.67 2crm s PHE 87 CO -0.04 -1.16 1.01 0.71 -0.10 0.00 0.00 175.22 175.64 2crm s TYR 88 N -2.95 -0.52 -0.23 0.36 2.02 -1.26 -3.03 117.35 111.74 2crm s TYR 88 Ca 0.60 1.09 -0.06 0.00 -0.37 0.00 0.00 57.07 58.33 2crm s TYR 88 Cb -0.10 0.34 -0.02 0.00 -0.40 0.00 0.00 41.96 41.79 2crm s TYR 88 CO 0.41 -0.26 0.03 1.03 -1.57 0.00 0.00 175.55 175.19 2crm s ARG 89 N 1.07 3.58 0.23 -0.62 0.52 -1.20 -3.47 118.95 119.06 2crm s ARG 89 Ca -0.06 -0.52 0.12 0.00 -0.52 0.00 0.00 55.73 54.74 2crm s ARG 89 Cb -0.04 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 2crm s ARG 89 CO -0.13 -0.15 -0.22 -0.51 0.02 0.00 0.00 175.30 174.31 2crm s LEU 90 N 1.45 2.52 -0.15 2.53 1.02 -1.22 -0.07 118.68 124.75 2crm s LEU 90 Ca 0.05 -0.93 -0.08 0.00 0.02 0.00 0.00 54.13 53.19 2crm s LEU 90 Cb -0.15 -1.15 0.05 0.00 0.02 0.00 0.00 46.19 44.96 2crm s LEU 90 CO 0.01 0.09 0.36 -0.13 0.02 0.00 0.00 176.35 176.70 2crm s ARG 91 N -3.04 0.33 -0.11 1.70 0.52 0.09 -0.79 118.95 117.66 2crm s ARG 91 Ca 0.25 0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 56.14 2crm s ARG 91 Cb -0.07 -0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.32 2crm s ARG 91 CO 0.12 -0.16 -0.01 0.08 0.02 0.00 0.00 175.30 175.35 2crm s VAL 92 N 1.33 4.16 0.35 3.52 1.01 -1.26 -1.58 120.40 127.92 2crm s VAL 92 Ca -0.09 -0.29 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2crm s VAL 92 Cb -0.09 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2crm s VAL 92 CO -0.11 0.57 0.26 -0.72 0.00 0.00 0.00 175.10 175.10 2crm s TYR 93 N -0.51 1.79 0.12 5.22 1.13 -1.16 -2.45 117.35 121.50 2crm s TYR 93 Ca 0.08 -1.62 0.09 0.00 -1.41 0.00 0.00 57.07 54.21 2crm s TYR 93 Cb -0.12 -0.80 -0.04 0.00 -1.10 0.00 0.00 41.96 39.91 2crm s TYR 93 CO 0.02 -0.79 -0.23 0.00 -2.51 0.00 0.00 175.55 172.04 2crm s ILE 95 N -1.25 2.23 0.41 0.00 1.01 -1.14 -1.19 121.20 121.26 2crm s ILE 95 Ca 0.11 -3.04 0.08 0.00 0.00 0.00 0.00 60.65 57.79 2crm s ILE 95 Cb -0.09 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 2crm s ILE 95 CO 0.05 -0.81 0.42 -0.44 0.00 0.00 0.00 174.94 174.16 2crm s SER 96 N -0.04 5.25 0.39 3.58 0.01 -0.97 -2.55 113.70 119.38 2crm s SER 96 Ca 0.17 -0.62 -0.22 0.00 1.31 0.00 0.00 55.95 56.58 2crm s SER 96 Cb -0.25 -0.65 -0.15 0.00 0.21 0.00 0.00 66.02 65.18 2crm s SER 96 CO -0.01 -0.65 0.28 0.47 0.41 0.00 0.00 173.24 173.75 2crm n ASP 97 N -1.61 -2.04 0.00 2.44 8.00 -1.26 -1.08 116.55 121.00 2crm n ASP 97 Ca 0.04 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.41 2crm n ASP 97 Cb 0.61 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2crm n GLY 98 N 2.12 1.82 0.00 0.44 0.00 -1.26 -4.83 105.19 103.47 2crm n GLY 98 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2crm n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crm n GLY 99 N 0.00 -2.55 3.97 -0.02 0.00 -0.24 -5.15 105.19 101.21 2crm n GLY 99 Ca 0.00 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 2crm n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2crm s GLN 100 N -1.99 3.01 0.49 1.61 1.03 -1.26 -2.29 119.66 120.25 2crm s GLN 100 Ca 0.00 -0.79 0.04 0.00 0.04 0.00 0.00 55.36 54.65 2crm s GLN 100 Cb 0.00 -2.67 0.02 0.00 0.03 0.00 0.00 33.01 30.39 2crm s GLN 100 CO 0.00 -0.19 0.68 -1.54 -2.54 0.00 0.00 175.29 171.70 2crm s SER 101 N -4.23 5.47 0.52 12.60 1.04 -0.33 -4.95 113.70 123.82 2crm s SER 101 Ca 0.48 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.52 2crm s SER 101 Cb -0.10 -0.83 -0.06 0.00 0.10 0.00 0.00 66.02 65.13 2crm s SER 101 CO 0.35 -0.95 1.38 0.00 0.98 0.00 0.00 173.24 175.00 2crm s ALA 102 N -2.57 2.95 -0.02 5.32 0.00 -1.26 -4.60 121.76 121.57 2crm s ALA 102 Ca 0.56 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.59 2crm s ALA 102 Cb -0.10 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 2crm s ALA 102 CO 0.36 -1.32 1.54 0.14 0.00 0.00 0.00 175.76 176.48 2crm s VAL 103 N -1.27 3.58 1.13 0.00 -7.23 -1.26 -4.76 120.40 110.58 2crm s VAL 103 Ca 0.68 0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 61.55 2crm s VAL 103 Cb -0.41 -3.55 0.22 0.00 0.56 0.00 0.00 36.38 33.19 2crm s VAL 103 CO 0.50 -0.04 0.45 -1.54 -0.31 0.00 0.00 175.10 174.16 2crm n SER 104 N 6.27 -3.20 -4.35 4.85 3.41 -1.03 -4.92 113.62 114.65 2crm n SER 104 Ca 0.15 -0.48 -0.31 0.00 -0.26 0.00 0.00 58.87 57.98 2crm n SER 104 Cb 0.43 -0.85 0.21 0.00 -0.26 0.00 0.00 64.21 63.74 2crm n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2crm n GLU 105 N -2.80 -1.96 -3.06 4.33 1.02 -1.26 -4.65 120.64 112.27 2crm n GLU 105 Ca 0.07 -0.55 -0.32 0.00 -0.02 0.00 0.00 57.16 56.34 2crm n GLU 105 Cb 0.43 -1.88 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 2crm n GLU 105 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2crm s SER 106 N -2.06 6.72 -0.52 1.62 1.04 -1.26 -4.45 113.70 114.79 2crm s SER 106 Ca 0.61 1.26 -0.05 0.00 0.48 0.00 0.00 55.95 58.25 2crm s SER 106 Cb -0.17 -2.37 0.14 0.00 0.10 0.00 0.00 66.02 63.72 2crm s SER 106 CO 0.66 -0.26 0.35 -0.22 0.98 0.00 0.00 173.24 174.75 2crm s LEU 107 N -3.20 5.43 -0.58 2.42 2.96 0.03 -4.86 118.68 120.89 2crm s LEU 107 Ca 0.54 -2.33 -0.27 0.00 -0.22 0.00 0.00 54.13 51.85 2crm s LEU 107 Cb -0.10 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.72 2crm s LEU 107 CO 0.21 -0.52 1.12 -0.22 -1.32 0.00 0.00 176.35 175.62 2crm s LEU 108 N 0.72 3.64 -0.22 -0.68 2.96 -1.26 -3.45 118.68 120.39 2crm s LEU 108 Ca 0.11 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2crm s LEU 108 Cb -0.22 -3.01 0.05 0.00 0.50 0.00 0.00 46.19 43.51 2crm s LEU 108 CO -0.03 -1.43 -0.10 -0.69 -1.32 0.00 0.00 176.35 172.78 2crm s VAL 109 N 4.69 1.74 -0.39 1.68 1.01 -1.23 -5.02 120.40 122.90 2crm s VAL 109 Ca 0.38 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2crm s VAL 109 Cb -0.09 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2crm s VAL 109 CO 0.23 0.08 0.53 -1.58 0.00 0.00 0.00 175.10 174.36 2crm s GLN 110 N 1.33 3.43 0.26 2.72 0.74 -1.26 -3.99 119.66 122.89 2crm s GLN 110 Ca -0.04 -0.34 -0.30 0.00 0.05 0.00 0.00 55.36 54.74 2crm s GLN 110 Cb -0.17 -3.88 -0.09 0.00 1.10 0.00 0.00 33.01 29.97 2crm s GLN 110 CO -0.07 -0.78 1.03 0.95 -0.55 0.00 0.00 175.29 175.86 2crm s THR 111 N 2.46 3.76 0.03 -0.34 -4.23 -1.19 -4.97 115.64 111.14 2crm s THR 111 Ca 0.18 1.77 -0.30 0.00 -1.18 0.00 0.00 61.69 62.16 2crm s THR 111 Cb -0.15 -4.12 -0.06 0.00 1.34 0.00 0.00 72.50 69.50 2crm s THR 111 CO 0.15 0.42 1.43 -2.16 -0.54 0.00 0.00 174.62 173.92 2crm s PRO 112 N -1.30 4.28 0.33 3.99 0.04 -1.26 -1.78 135.00 139.29 2crm s PRO 112 Ca 0.43 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.22 2crm s PRO 112 Cb -0.29 -3.53 -0.09 0.00 0.04 0.00 0.00 34.50 30.63 2crm s PRO 112 CO 0.37 -0.57 1.13 0.00 0.04 0.00 0.00 177.00 177.96 2crm s ALA 113 N 2.22 3.32 0.24 8.56 0.00 -1.26 -4.08 121.76 130.77 2crm s ALA 113 Ca 0.65 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 53.40 2crm s ALA 113 Cb -0.33 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 2crm s ALA 113 CO 0.28 -0.29 0.62 0.14 0.00 0.00 0.00 175.76 176.51 2crm s VAL 114 N -1.28 4.80 0.37 0.00 -7.23 -1.26 -4.94 120.40 110.86 2crm s VAL 114 Ca 0.49 0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 61.32 2crm s VAL 114 Cb -0.31 -3.67 0.04 0.00 0.56 0.00 0.00 36.38 33.00 2crm s VAL 114 CO 0.40 0.00 0.71 -0.94 -0.31 0.00 0.00 175.10 174.97 2crm s SER 115 N -2.10 0.23 0.00 4.85 1.04 -1.26 -5.11 113.70 111.35 2crm s SER 115 Ca 0.47 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2crm s SER 115 Cb -0.12 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2crm s SER 115 CO 0.20 -1.59 0.00 0.61 0.98 0.00 0.00 173.24 173.43 2crm n GLY 116 N -0.54 -1.15 0.06 7.32 0.00 -1.26 -4.81 105.19 104.82 2crm n GLY 116 Ca -0.06 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 2crm n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crm h PRO 117 N 0.00 -0.01 -4.37 1.61 0.13 -2.08 -3.46 132.00 123.81 2crm h PRO 117 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2crm h PRO 117 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 2crm h PRO 117 CO 0.00 0.47 0.01 -1.13 -0.23 0.00 0.00 178.00 177.12 2crm n SER 118 N -4.86 -0.07 -4.67 1.44 3.41 -1.26 -4.83 113.62 102.77 2crm n SER 118 Ca -0.08 0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 58.95 2crm n SER 118 Cb 0.25 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.49 2crm n SER 118 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2crm s SER 119 N -0.05 6.97 0.00 4.04 0.15 -1.26 -5.03 113.70 118.52 2crm s SER 119 Ca 0.65 1.19 0.00 0.00 0.70 0.00 0.00 55.95 58.49 2crm s SER 119 Cb -0.91 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 60.94 2crm s SER 119 CO 0.41 -0.42 0.33 0.61 1.20 0.00 0.00 173.24 175.38