#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 3.16 0.23 1.61 0.15 -1.26 -5.14 113.70 112.45 2crm s SER 2 Ca 0.00 -1.49 -0.25 0.00 0.70 0.00 0.00 55.95 54.91 2crm s SER 2 Cb 0.00 0.07 -0.09 0.00 -1.71 0.00 0.00 66.02 64.29 2crm s SER 2 CO 0.00 -0.68 0.83 -0.55 1.20 0.00 0.00 173.24 174.04 2crm s SER 3 N -3.64 7.35 -0.18 5.45 0.15 -1.26 -4.56 113.70 117.01 2crm s SER 3 Ca 0.28 1.69 -0.01 0.00 0.70 0.00 0.00 55.95 58.61 2crm s SER 3 Cb 0.06 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2crm s SER 3 CO 0.14 0.10 0.01 0.61 1.20 0.00 0.00 173.24 175.30 2crm n GLY 4 N 1.15 -2.62 3.33 9.45 0.00 -1.26 -5.05 105.19 110.19 2crm n GLY 4 Ca -0.03 0.35 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 2crm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crm s SER 5 N -1.29 -0.09 0.86 1.61 0.01 -1.26 -5.16 113.70 108.38 2crm s SER 5 Ca -0.02 -0.55 -0.12 0.00 1.31 0.00 0.00 55.95 56.58 2crm s SER 5 Cb 0.00 0.45 0.11 0.00 0.21 0.00 0.00 66.02 66.79 2crm s SER 5 CO 0.47 -0.86 1.17 -1.54 0.41 0.00 0.00 173.24 172.89 2crm n SER 6 N -0.20 0.71 0.00 2.44 3.41 -1.26 -4.26 113.62 114.46 2crm n SER 6 Ca -0.13 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2crm n SER 6 Cb 0.63 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 2crm n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crm n GLY 7 N 0.44 3.67 3.57 5.00 0.00 -1.26 -5.09 105.19 111.52 2crm n GLY 7 Ca 0.13 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 2crm n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crm s VAL 8 N 0.00 1.25 0.97 1.61 -7.23 -1.26 -5.13 120.40 110.62 2crm s VAL 8 Ca 0.00 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.03 2crm s VAL 8 Cb 0.00 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.35 2crm s VAL 8 CO 0.00 0.00 0.21 1.33 -0.31 0.00 0.00 175.10 176.33 2crm n VAL 9 N -0.93 0.00 -3.44 1.32 0.24 -1.26 -5.01 118.33 109.25 2crm n VAL 9 Ca -0.07 -0.23 0.01 0.00 -2.04 0.00 0.00 64.34 62.00 2crm n VAL 9 Cb 0.66 -0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 32.45 2crm n VAL 9 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2crm s GLU 10 N -3.42 0.25 -1.32 7.34 2.12 -1.26 -4.97 118.70 117.44 2crm s GLU 10 Ca 0.55 0.56 -0.07 0.00 0.36 0.00 0.00 54.97 56.37 2crm s GLU 10 Cb -0.19 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.47 2crm s GLU 10 CO 0.69 -0.07 1.14 1.19 -0.54 0.00 0.00 175.26 177.66 2crm n PHE 11 N 4.47 -2.71 -3.13 5.30 3.72 -1.26 -4.96 117.46 118.89 2crm n PHE 11 Ca -0.11 1.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.89 2crm n PHE 11 Cb 0.54 -5.04 -0.05 0.00 -0.94 0.00 0.00 39.48 33.99 2crm n PHE 11 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2crm s THR 12 N -3.33 5.08 0.23 4.37 2.01 -1.26 -5.07 115.64 117.67 2crm s THR 12 Ca 0.44 1.26 0.11 0.00 0.31 0.00 0.00 61.69 63.81 2crm s THR 12 Cb -0.19 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2crm s THR 12 CO 0.73 0.24 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.81 2crm s THR 13 N 1.00 2.23 0.11 -0.82 2.01 -1.26 -5.04 115.64 113.88 2crm s THR 13 Ca 0.33 -2.22 -0.22 0.00 0.31 0.00 0.00 61.69 59.88 2crm s THR 13 Cb -0.17 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 2crm s THR 13 CO 0.14 -0.36 1.11 0.00 -0.69 0.00 0.00 174.62 174.82 2crm s PRO 15 N -5.32 0.95 -0.01 0.00 0.04 -1.26 -5.05 135.00 124.36 2crm s PRO 15 Ca -0.09 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.61 2crm s PRO 15 Cb 0.08 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2crm s PRO 15 CO 0.44 -2.42 0.23 0.34 0.04 0.00 0.00 177.00 175.63 2crm s ASP 16 N -3.43 6.45 0.38 6.66 2.15 -1.26 -4.86 116.67 122.75 2crm s ASP 16 Ca 0.64 0.49 -0.27 0.00 0.43 0.00 0.00 52.55 53.84 2crm s ASP 16 Cb -0.18 -2.06 -0.09 0.00 -0.30 0.00 0.00 42.92 40.28 2crm s ASP 16 CO 0.57 0.27 1.32 -1.59 -0.17 0.00 0.00 175.17 175.57 2crm s LYS 17 N -1.76 4.10 1.06 4.34 -2.85 -1.26 -1.61 119.74 121.76 2crm s LYS 17 Ca 0.27 2.22 -0.14 0.00 -1.00 0.00 0.00 55.97 57.32 2crm s LYS 17 Cb -0.13 -2.88 0.22 0.00 -2.06 0.00 0.00 37.83 32.98 2crm s LYS 17 CO 0.16 -0.40 1.10 -1.25 0.10 0.00 0.00 175.35 175.05 2crm s PRO 18 N -2.09 -0.09 -0.09 1.78 0.04 -1.26 -4.32 135.00 128.98 2crm s PRO 18 Ca 0.54 0.34 -0.14 0.00 0.04 0.00 0.00 61.00 61.78 2crm s PRO 18 Cb -0.40 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2crm s PRO 18 CO 0.52 -3.04 0.34 0.20 0.04 0.00 0.00 177.00 175.05 2crm s GLY 19 N -3.56 2.33 0.04 0.56 0.00 -1.26 -4.80 107.32 100.62 2crm s GLY 19 Ca 0.67 -0.36 -0.32 0.00 0.00 0.00 0.00 44.72 44.72 2crm s GLY 19 CO 0.57 0.25 0.80 1.39 0.00 0.00 0.00 173.10 176.12 2crm n ILE 20 N 2.68 0.38 -2.25 0.90 -0.00 -1.26 -4.57 119.36 115.25 2crm n ILE 20 Ca -0.13 -0.09 -0.41 0.00 -0.00 0.00 0.00 62.75 62.12 2crm n ILE 20 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.13 2crm n ILE 20 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2crm s PRO 21 N -0.19 4.44 0.27 0.38 0.04 -1.26 -4.71 135.00 133.96 2crm s PRO 21 Ca 0.72 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.52 2crm s PRO 21 Cb -1.01 -3.15 -0.14 0.00 0.04 0.00 0.00 34.50 30.24 2crm s PRO 21 CO 0.48 -0.11 1.10 0.28 0.04 0.00 0.00 177.00 178.79 2crm n VAL 22 N 1.57 1.68 -1.66 -0.36 0.31 -0.59 -4.67 118.33 114.61 2crm n VAL 22 Ca 0.02 -0.42 -0.45 0.00 -0.01 0.00 0.00 64.34 63.47 2crm n VAL 22 Cb 0.43 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 32.28 2crm n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2crm n LYS 23 N 1.04 1.98 -2.21 5.55 0.00 -1.26 -3.96 118.16 119.29 2crm n LYS 23 Ca 0.10 0.71 -0.42 0.00 0.00 0.00 0.00 58.31 58.70 2crm n LYS 23 Cb 0.31 -2.38 -0.03 0.00 0.00 0.00 0.00 35.03 32.93 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 -0.11 4.35 0.38 1.64 0.04 -1.26 -4.60 135.00 135.45 2crm s PRO 24 Ca 0.71 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.86 2crm s PRO 24 Cb -0.68 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 30.56 2crm s PRO 24 CO 0.47 -0.36 0.03 -1.54 0.04 0.00 0.00 177.00 175.65 2crm s SER 25 N 0.85 4.04 -0.13 6.66 1.04 -0.91 -4.80 113.70 120.45 2crm s SER 25 Ca 0.61 -1.19 -0.23 0.00 0.48 0.00 0.00 55.95 55.61 2crm s SER 25 Cb -0.36 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.30 2crm s SER 25 CO 0.33 -0.38 0.73 -0.69 0.98 0.00 0.00 173.24 174.20 2crm s VAL 26 N -2.63 4.98 -0.41 5.02 1.01 -1.26 -2.02 120.40 125.09 2crm s VAL 26 Ca 0.36 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.73 2crm s VAL 26 Cb 0.05 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.47 2crm s VAL 26 CO 0.19 0.14 0.23 -0.75 0.00 0.00 0.00 175.10 174.91 2crm s LYS 27 N 1.53 2.37 0.00 2.72 2.20 -0.95 -4.99 119.74 122.63 2crm s LYS 27 Ca 0.36 -1.62 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 2crm s LYS 27 Cb -0.17 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2crm s LYS 27 CO 0.14 -1.01 0.00 0.41 -0.36 0.00 0.00 175.35 174.54 2crm n GLY 28 N 4.79 -0.73 3.83 5.54 0.00 -1.26 -4.63 105.19 112.73 2crm n GLY 28 Ca -0.07 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 2crm n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s LYS 29 N 0.00 4.06 -0.35 1.61 1.02 -1.26 -5.05 119.74 119.77 2crm s LYS 29 Ca 0.00 0.58 -0.18 0.00 0.02 0.00 0.00 55.97 56.39 2crm s LYS 29 Cb 0.00 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2crm s LYS 29 CO 0.00 0.55 0.51 0.42 -0.92 0.00 0.00 175.35 175.92 2crm s ILE 30 N -1.30 5.02 0.86 2.17 1.01 -1.26 -4.78 121.20 122.91 2crm s ILE 30 Ca 0.33 0.35 -0.14 0.00 0.00 0.00 0.00 60.65 61.19 2crm s ILE 30 Cb -0.17 -3.96 0.21 0.00 0.01 0.00 0.00 42.46 38.55 2crm s ILE 30 CO 0.19 -0.21 0.82 1.41 0.00 0.00 0.00 174.94 177.15 2crm n HIS 31 N 5.73 -3.70 0.03 3.97 8.25 -0.59 -4.83 115.22 124.07 2crm n HIS 31 Ca -0.05 -0.74 -0.04 0.00 -0.26 0.00 0.00 57.72 56.63 2crm n HIS 31 Cb 0.49 -0.81 -0.03 0.00 1.12 0.00 0.00 29.99 30.76 2crm n HIS 31 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2crm h SER 32 N -2.09 -0.43 -0.87 0.41 0.02 -1.98 -3.35 113.55 105.26 2crm h SER 32 Ca -0.30 0.05 -0.42 0.00 -0.84 0.00 0.00 61.79 60.28 2crm h SER 32 Cb 0.90 0.16 -0.41 0.00 0.14 0.00 0.00 62.40 63.19 2crm h SER 32 CO 0.20 -0.15 -0.99 0.00 -1.14 0.00 0.00 176.83 174.75 2crm n HIS 33 N -3.27 2.03 -3.63 3.45 1.44 -1.26 -4.09 115.22 109.90 2crm n HIS 33 Ca -0.02 -2.52 -0.04 0.00 -2.01 0.00 0.00 57.72 53.12 2crm n HIS 33 Cb 0.11 -0.26 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 2crm n HIS 33 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2crm s SER 34 N -3.53 -0.86 0.09 4.39 0.01 -1.26 -2.39 113.70 110.15 2crm s SER 34 Ca 0.37 1.33 -0.16 0.00 1.31 0.00 0.00 55.95 58.79 2crm s SER 34 Cb 0.39 1.52 0.03 0.00 0.21 0.00 0.00 66.02 68.17 2crm s SER 34 CO -0.03 -0.20 0.39 0.72 0.41 0.00 0.00 173.24 174.53 2crm s PHE 35 N 1.83 -0.21 -0.18 2.43 -0.12 -1.18 -1.55 117.98 119.01 2crm s PHE 35 Ca -0.09 0.01 -0.09 0.00 -0.05 0.00 0.00 56.93 56.71 2crm s PHE 35 Cb -0.06 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.50 2crm s PHE 35 CO -0.19 -0.63 0.12 0.15 -0.05 0.00 0.00 175.22 174.63 2crm s LYS 36 N -3.20 4.00 -0.06 1.99 3.01 -1.26 0.44 119.74 124.66 2crm s LYS 36 Ca -0.01 -0.22 0.05 0.00 -1.01 0.00 0.00 55.97 54.79 2crm s LYS 36 Cb 0.01 -3.34 -0.01 0.00 -1.01 0.00 0.00 37.83 33.48 2crm s LYS 36 CO -0.08 0.40 -0.24 0.96 0.51 0.00 0.00 175.35 176.91 2crm s ILE 37 N 0.07 1.95 -0.04 2.17 -4.36 0.83 -2.24 121.20 119.58 2crm s ILE 37 Ca 0.09 -1.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.51 2crm s ILE 37 Cb -0.11 -1.66 0.01 0.00 1.25 0.00 0.00 42.46 41.95 2crm s ILE 37 CO -0.01 0.54 -0.11 0.28 0.24 0.00 0.00 174.94 175.89 2crm s THR 38 N -0.04 0.98 -0.02 8.37 -1.32 -0.85 -1.29 115.64 121.46 2crm s THR 38 Ca -0.06 -0.43 0.05 0.00 -1.21 0.00 0.00 61.69 60.04 2crm s THR 38 Cb -0.14 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 2crm s THR 38 CO 0.04 0.31 -0.16 -1.66 -2.21 0.00 0.00 174.62 170.94 2crm s TRP 39 N 0.42 2.63 0.37 9.09 -2.14 -1.26 -2.15 118.94 125.90 2crm s TRP 39 Ca -0.08 -0.21 -0.21 0.00 2.66 0.00 0.00 56.10 58.25 2crm s TRP 39 Cb -0.12 -1.56 -0.10 0.00 -3.10 0.00 0.00 33.47 28.58 2crm s TRP 39 CO 0.02 0.19 0.90 -0.51 -2.66 0.00 0.00 176.95 174.89 2crm s ASP 40 N -0.97 7.02 1.01 -2.66 1.01 -1.25 -4.88 116.67 115.95 2crm s ASP 40 Ca 0.13 1.64 -0.13 0.00 0.71 0.00 0.00 52.55 54.90 2crm s ASP 40 Cb -0.11 -2.51 0.20 0.00 1.01 0.00 0.00 42.92 41.51 2crm s ASP 40 CO 0.02 -0.23 1.09 -2.16 0.21 0.00 0.00 175.17 174.10 2crm s PRO 41 N -2.77 0.30 -0.08 8.23 0.04 -1.26 -1.54 135.00 137.91 2crm s PRO 41 Ca 0.56 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 2crm s PRO 41 Cb -0.12 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 2crm s PRO 41 CO 0.17 -2.81 1.51 -1.25 0.04 0.00 0.00 177.00 174.66 2crm s PRO 42 N -4.97 4.21 0.31 0.56 0.04 -1.26 -4.47 135.00 129.43 2crm s PRO 42 Ca 0.66 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.75 2crm s PRO 42 Cb -0.19 -3.87 0.82 0.00 0.04 0.00 0.00 34.50 31.30 2crm s PRO 42 CO 0.58 -0.78 1.58 1.57 0.04 0.00 0.00 177.00 179.99 2crm h LYS 43 N 8.96 0.02 -2.74 4.56 2.10 -1.90 -3.03 116.57 124.54 2crm h LYS 43 Ca -0.35 -0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.69 2crm h LYS 43 Cb 1.16 -0.00 -0.40 0.00 -0.90 0.00 0.00 32.23 32.08 2crm h LYS 43 CO 0.95 0.01 -0.79 0.34 -2.00 0.00 0.00 179.45 177.97 2crm s ASP 44 N -4.96 3.08 -0.32 7.07 -1.08 -1.26 -5.08 116.67 114.12 2crm s ASP 44 Ca -0.12 -3.21 -0.36 0.00 -0.52 0.00 0.00 52.55 48.34 2crm s ASP 44 Cb 0.29 -0.96 -0.12 0.00 -1.46 0.00 0.00 42.92 40.68 2crm s ASP 44 CO 0.78 -0.17 2.12 -0.46 0.52 0.00 0.00 175.17 177.96 2crm n ASN 45 N 2.74 2.26 -4.13 -0.34 0.23 -1.15 -4.45 115.26 110.44 2crm n ASN 45 Ca 0.21 0.52 -0.32 0.00 -0.53 0.00 0.00 54.58 54.46 2crm n ASN 45 Cb 0.40 -1.26 0.14 0.00 -2.08 0.00 0.00 39.78 36.98 2crm n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2crm n GLY 46 N 6.16 -2.61 0.36 4.83 0.00 -1.26 -4.71 105.19 107.96 2crm n GLY 46 Ca 0.38 -0.62 0.34 0.00 0.00 0.00 0.00 46.02 46.12 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 2.45 -0.76 3.66 -0.02 0.00 -1.18 -4.10 105.19 105.23 2crm n GLY 47 Ca 0.00 0.78 -0.43 0.00 0.00 0.00 0.00 46.02 46.37 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 -5.40 3.68 -0.29 4.61 0.00 -0.64 -4.76 121.76 118.97 2crm s ALA 48 Ca -0.08 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 2crm s ALA 48 Cb 0.32 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2crm s ALA 48 CO 0.78 -1.08 1.07 0.99 0.00 0.00 0.00 175.76 177.51 2crm s THR 49 N 3.28 4.56 0.14 0.00 2.01 -1.26 -4.60 115.64 119.77 2crm s THR 49 Ca 0.47 1.83 -0.20 0.00 0.31 0.00 0.00 61.69 64.10 2crm s THR 49 Cb -0.17 -4.37 -0.12 0.00 0.01 0.00 0.00 72.50 67.85 2crm s THR 49 CO 0.08 -0.37 0.37 -0.38 -0.69 0.00 0.00 174.62 173.64 2crm n ILE 50 N 5.68 1.36 -0.10 1.82 2.08 -1.26 -4.88 119.36 124.05 2crm n ILE 50 Ca 0.12 -0.34 -0.22 0.00 0.56 0.00 0.00 62.75 62.87 2crm n ILE 50 Cb 0.47 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.28 2crm n ILE 50 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2crm n ASN 51 N 1.39 1.43 -3.87 4.38 4.13 -0.59 -5.03 115.26 117.09 2crm n ASN 51 Ca 0.13 0.25 -0.10 0.00 1.68 0.00 0.00 54.58 56.53 2crm n ASN 51 Cb 0.17 -0.60 -0.09 0.00 -1.54 0.00 0.00 39.78 37.73 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2crm s LYS 52 N -2.37 0.67 -0.38 3.52 2.20 -1.25 -4.96 119.74 117.17 2crm s LYS 52 Ca -0.28 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 54.61 2crm s LYS 52 Cb 0.11 0.27 0.09 0.00 -1.51 0.00 0.00 37.83 36.79 2crm s LYS 52 CO 0.36 -0.19 0.15 0.71 -0.36 0.00 0.00 175.35 176.02 2crm s TYR 53 N -2.64 3.51 0.29 4.03 2.02 0.70 -2.75 117.35 122.52 2crm s TYR 53 Ca -0.05 -2.28 0.05 0.00 -0.37 0.00 0.00 57.07 54.42 2crm s TYR 53 Cb -0.01 -2.94 -0.02 0.00 -0.40 0.00 0.00 41.96 38.59 2crm s TYR 53 CO -0.04 -0.93 0.44 0.08 -1.57 0.00 0.00 175.55 173.53 2crm s VAL 54 N 1.17 4.83 -0.03 0.71 1.01 -1.03 -2.64 120.40 124.42 2crm s VAL 54 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2crm s VAL 54 Cb -0.22 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2crm s VAL 54 CO -0.03 -0.31 0.03 -0.69 0.00 0.00 0.00 175.10 174.10 2crm s VAL 55 N -2.12 -0.01 -0.21 2.92 1.01 -0.90 -2.11 120.40 118.99 2crm s VAL 55 Ca 0.39 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 2crm s VAL 55 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 2crm s VAL 55 CO 0.31 0.15 0.01 -1.61 0.00 0.00 0.00 175.10 173.95 2crm s GLU 56 N 1.55 3.61 -0.03 2.72 0.41 0.69 -0.52 118.70 127.14 2crm s GLU 56 Ca -0.03 -0.52 0.06 0.00 -0.41 0.00 0.00 54.97 54.07 2crm s GLU 56 Cb -0.13 -3.11 -0.01 0.00 -1.78 0.00 0.00 34.13 29.10 2crm s GLU 56 CO -0.03 -0.03 -0.22 1.41 -0.49 0.00 0.00 175.26 175.91 2crm s MET 57 N 1.11 1.90 0.19 1.61 -2.45 -1.13 -0.15 119.30 120.37 2crm s MET 57 Ca 0.03 -0.78 0.09 0.00 -1.25 0.00 0.00 55.69 53.77 2crm s MET 57 Cb -0.14 -1.77 -0.04 0.00 1.25 0.00 0.00 34.83 34.13 2crm s MET 57 CO 0.02 0.43 -0.09 0.00 1.05 0.00 0.00 175.02 176.43 2crm s ALA 58 N -0.39 2.96 -0.42 4.11 0.00 0.71 -2.55 121.76 126.18 2crm s ALA 58 Ca 0.05 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.25 2crm s ALA 58 Cb -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 2crm s ALA 58 CO 0.00 0.45 1.85 -2.00 0.00 0.00 0.00 175.76 176.07 2crm s GLU 59 N -2.89 3.06 0.44 0.00 2.12 -1.25 -2.99 118.70 117.19 2crm s GLU 59 Ca 0.25 1.20 0.00 0.00 0.36 0.00 0.00 54.97 56.78 2crm s GLU 59 Cb -0.09 -4.27 0.00 0.00 0.26 0.00 0.00 34.13 30.03 2crm s GLU 59 CO 0.16 -2.18 0.00 0.41 -0.54 0.00 0.00 175.26 173.10 2crm n GLY 60 N 5.53 -1.42 0.17 -1.50 0.00 -1.14 -4.22 105.19 102.62 2crm n GLY 60 Ca 0.23 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.95 0.50 -3.15 1.61 0.02 -1.87 -3.33 113.55 106.38 2crm h SER 61 Ca 0.02 -0.24 -0.59 0.00 -0.84 0.00 0.00 61.79 60.14 2crm h SER 61 Cb 0.94 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 2crm h SER 61 CO 0.01 0.61 -0.19 0.21 -1.14 0.00 0.00 176.83 176.32 2crm s ASN 62 N -5.91 6.73 0.00 3.07 2.47 -1.26 -4.59 114.94 115.44 2crm s ASN 62 Ca -0.13 0.90 0.00 0.00 0.42 0.00 0.00 52.86 54.05 2crm s ASN 62 Cb 0.09 -2.22 0.00 0.00 -1.45 0.00 0.00 41.25 37.67 2crm s ASN 62 CO 0.75 0.18 0.00 0.61 -3.72 0.00 0.00 177.10 174.93 2crm n GLY 63 N 1.06 3.88 3.54 1.21 0.00 -1.26 -4.77 105.19 108.85 2crm n GLY 63 Ca -0.08 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 2crm n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2crm n ASN 64 N 0.00 -5.29 -3.82 1.61 4.13 -1.26 -4.97 115.26 105.66 2crm n ASN 64 Ca 0.00 -0.56 -0.29 0.00 1.68 0.00 0.00 54.58 55.41 2crm n ASN 64 Cb 0.00 -5.04 -0.13 0.00 -1.54 0.00 0.00 39.78 33.08 2crm n ASN 64 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2crm s LYS 65 N -6.07 1.81 0.00 3.52 2.20 -1.26 -5.09 119.74 114.85 2crm s LYS 65 Ca 0.44 -2.59 -0.23 0.00 -0.36 0.00 0.00 55.97 53.23 2crm s LYS 65 Cb -0.19 -2.90 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2crm s LYS 65 CO 0.73 -1.19 0.71 -1.58 -0.36 0.00 0.00 175.35 173.65 2crm s TRP 66 N -0.38 3.68 -0.15 4.03 0.52 -1.26 -3.90 118.94 121.49 2crm s TRP 66 Ca 0.20 1.35 -0.06 0.00 0.02 0.00 0.00 56.10 57.62 2crm s TRP 66 Cb -0.18 -2.76 0.07 0.00 -1.15 0.00 0.00 33.47 29.45 2crm s TRP 66 CO -0.06 0.25 0.31 -1.21 0.02 0.00 0.00 176.95 176.26 2crm s GLU 67 N 0.13 0.21 0.19 4.98 0.41 -1.06 -4.95 118.70 118.61 2crm s GLU 67 Ca 0.36 0.81 -0.32 0.00 -0.41 0.00 0.00 54.97 55.41 2crm s GLU 67 Cb -0.19 0.05 -0.15 0.00 -1.78 0.00 0.00 34.13 32.06 2crm s GLU 67 CO 0.20 -0.26 1.21 -0.12 -0.49 0.00 0.00 175.26 175.81 2crm n MET 68 N 5.22 1.35 -0.09 1.61 0.00 -1.26 -2.84 117.12 121.11 2crm n MET 68 Ca -0.09 0.48 -0.12 0.00 -0.00 0.00 0.00 57.70 57.97 2crm n MET 68 Cb 0.50 -2.01 -0.09 0.00 0.00 0.00 0.00 33.22 31.62 2crm n MET 68 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 2crm n ILE 69 N 1.58 1.08 -3.83 1.12 -5.35 0.33 -4.91 119.36 109.38 2crm n ILE 69 Ca 0.14 -0.46 -0.09 0.00 -0.27 0.00 0.00 62.75 62.06 2crm n ILE 69 Cb 0.26 -1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 37.03 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 -2.38 0.08 -0.25 4.28 5.04 -1.25 -5.04 117.35 117.84 2crm s TYR 70 Ca -0.22 -0.43 -0.11 0.00 -2.44 0.00 0.00 57.07 53.88 2crm s TYR 70 Cb 0.06 -0.02 0.09 0.00 0.35 0.00 0.00 41.96 42.45 2crm s TYR 70 CO 0.48 -0.53 0.56 -1.54 -1.34 0.00 0.00 175.55 173.18 2crm s SER 71 N -2.61 -0.76 0.00 4.32 1.04 -1.26 -2.12 113.70 112.31 2crm s SER 71 Ca 0.02 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2crm s SER 71 Cb 0.03 1.56 0.00 0.00 0.10 0.00 0.00 66.02 67.71 2crm s SER 71 CO -0.09 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2crm n GLY 72 N 4.94 -0.45 0.91 7.32 0.00 -1.08 -4.96 105.19 111.87 2crm n GLY 72 Ca -0.15 0.24 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 2.71 -1.01 4.61 0.00 -1.26 -0.21 120.51 125.35 2crm n ALA 73 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 2crm n ALA 73 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 2crm n ALA 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2crm n THR 74 N -2.70 0.86 -0.02 0.00 -1.04 -1.26 -4.75 114.28 105.37 2crm n THR 74 Ca -0.00 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 61.65 2crm n THR 74 Cb 0.01 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.38 2crm n THR 74 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2crm n ARG 75 N 0.84 0.69 -2.48 -2.82 1.74 -1.26 -4.69 116.66 108.67 2crm n ARG 75 Ca 0.13 0.26 -0.39 0.00 -0.77 0.00 0.00 57.85 57.08 2crm n ARG 75 Cb 0.13 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 2crm n ARG 75 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2crm s GLU 76 N -2.57 3.45 -0.03 5.56 2.02 -1.25 -3.89 118.70 121.98 2crm s GLU 76 Ca -0.13 -1.04 -0.00 0.00 0.02 0.00 0.00 54.97 53.81 2crm s GLU 76 Cb 0.07 -5.33 -0.04 0.00 0.10 0.00 0.00 34.13 28.94 2crm s GLU 76 CO 0.79 -2.39 0.02 -1.58 0.02 0.00 0.00 175.26 172.13 2crm s HIS 77 N 5.71 3.16 -0.44 1.61 2.46 -0.41 -4.86 115.29 122.52 2crm s HIS 77 Ca 0.50 0.15 -0.19 0.00 0.47 0.00 0.00 55.06 56.00 2crm s HIS 77 Cb -0.01 -1.73 0.03 0.00 -0.13 0.00 0.00 32.58 30.74 2crm s HIS 77 CO -0.08 0.49 0.54 -1.17 -2.47 0.00 0.00 174.74 172.05 2crm s LEU 78 N -1.38 4.74 -1.02 8.88 2.96 -1.26 -0.12 118.68 131.48 2crm s LEU 78 Ca 0.18 -0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 53.30 2crm s LEU 78 Cb -0.12 -2.53 0.07 0.00 0.50 0.00 0.00 46.19 44.12 2crm s LEU 78 CO 0.08 -0.70 1.40 0.00 -1.32 0.00 0.00 176.35 175.82 2crm n ASP 80 N 8.29 1.44 -3.20 0.00 2.03 -1.26 -3.09 116.55 120.76 2crm n ASP 80 Ca 0.32 -2.18 -0.17 0.00 0.52 0.00 0.00 54.79 53.28 2crm n ASP 80 Cb 0.50 -0.59 0.08 0.00 -0.72 0.00 0.00 41.12 40.38 2crm n ASP 80 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2crm n ARG 81 N -2.70 -6.30 -3.45 -0.67 1.74 -1.24 -4.98 116.66 99.06 2crm n ARG 81 Ca 0.16 0.75 -0.22 0.00 -0.77 0.00 0.00 57.85 57.77 2crm n ARG 81 Cb 0.58 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 26.51 2crm n ARG 81 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2crm n LEU 82 N -4.02 0.00 -4.22 0.55 4.77 -1.01 -5.09 117.00 107.97 2crm n LEU 82 Ca -0.17 -2.41 -0.33 0.00 -0.03 0.00 0.00 56.01 53.07 2crm n LEU 82 Cb 0.62 -0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 2crm n LEU 82 CO 0.55 -0.54 -0.51 0.20 -1.33 0.00 0.00 177.39 175.77 2crm s ASN 83 N -3.73 3.41 0.63 -1.43 0.01 -1.26 -4.76 114.94 107.81 2crm s ASN 83 Ca 0.27 -0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 51.73 2crm s ASN 83 Cb -0.02 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 40.12 2crm s ASN 83 CO 0.17 0.09 1.11 -2.16 -1.51 0.00 0.00 177.10 174.80 2crm s PRO 84 N 0.80 2.93 -1.38 -0.60 0.04 -1.26 -3.72 135.00 131.80 2crm s PRO 84 Ca -0.06 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.35 2crm s PRO 84 Cb -0.15 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2crm s PRO 84 CO -0.01 -1.15 0.98 0.41 0.04 0.00 0.00 177.00 177.27 2crm n GLY 85 N -0.36 -0.44 3.55 0.56 0.00 -0.01 -4.71 105.19 103.77 2crm n GLY 85 Ca 0.11 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.91 2.34 -0.29 0.00 0.08 -1.26 -2.79 117.98 112.14 2crm s PHE 87 Ca 0.25 -0.40 -0.24 0.00 0.12 0.00 0.00 56.93 56.66 2crm s PHE 87 Cb 0.00 -2.47 0.13 0.00 -0.57 0.00 0.00 43.02 40.12 2crm s PHE 87 CO 0.10 -0.82 1.08 0.71 -0.10 0.00 0.00 175.22 176.19 2crm s TYR 88 N -2.59 -0.43 -0.21 0.36 2.02 -1.26 -2.88 117.35 112.37 2crm s TYR 88 Ca 0.58 1.01 -0.03 0.00 -0.37 0.00 0.00 57.07 58.27 2crm s TYR 88 Cb -0.09 0.38 -0.00 0.00 -0.40 0.00 0.00 41.96 41.85 2crm s TYR 88 CO 0.37 -0.21 -0.08 1.03 -1.57 0.00 0.00 175.55 175.09 2crm s ARG 89 N 0.32 3.29 0.05 -0.62 0.52 -1.16 -3.48 118.95 117.88 2crm s ARG 89 Ca 0.02 -0.67 0.09 0.00 -0.52 0.00 0.00 55.73 54.65 2crm s ARG 89 Cb -0.05 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.50 2crm s ARG 89 CO -0.08 -0.17 -0.25 -0.51 0.02 0.00 0.00 175.30 174.30 2crm s LEU 90 N 1.36 2.18 -0.09 2.53 1.02 -1.17 -0.21 118.68 124.30 2crm s LEU 90 Ca 0.05 -0.59 -0.04 0.00 0.02 0.00 0.00 54.13 53.56 2crm s LEU 90 Cb -0.14 -1.23 0.05 0.00 0.02 0.00 0.00 46.19 44.89 2crm s LEU 90 CO -0.05 0.23 0.21 0.00 0.02 0.00 0.00 176.35 176.77 2crm s ARG 91 N -1.29 0.15 -0.15 1.70 1.70 0.79 -0.34 118.95 121.51 2crm s ARG 91 Ca 0.11 0.51 -0.07 0.00 -0.47 0.00 0.00 55.73 55.81 2crm s ARG 91 Cb -0.10 -0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.10 2crm s ARG 91 CO 0.02 -0.19 0.11 0.08 -1.08 0.00 0.00 175.30 174.24 2crm s VAL 92 N 1.45 5.23 0.06 4.99 1.01 -1.26 -0.22 120.40 131.66 2crm s VAL 92 Ca -0.07 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2crm s VAL 92 Cb -0.11 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 2crm s VAL 92 CO -0.08 0.54 -0.10 -0.72 0.00 0.00 0.00 175.10 174.74 2crm s TYR 93 N -0.35 0.88 0.19 5.22 1.13 -0.90 -2.95 117.35 120.58 2crm s TYR 93 Ca 0.11 -0.54 0.05 0.00 -1.41 0.00 0.00 57.07 55.27 2crm s TYR 93 Cb -0.12 -0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 40.20 2crm s TYR 93 CO 0.01 -0.04 0.26 0.00 -2.51 0.00 0.00 175.55 173.27 2crm s ILE 95 N -1.88 1.79 0.11 0.00 1.01 -1.11 -2.39 121.20 118.73 2crm s ILE 95 Ca 0.33 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 2crm s ILE 95 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 2crm s ILE 95 CO 0.27 0.49 0.04 -0.44 0.00 0.00 0.00 174.94 175.29 2crm s SER 96 N 1.40 0.35 -1.78 3.58 0.01 0.13 -1.55 113.70 115.84 2crm s SER 96 Ca 0.05 -1.14 -0.19 0.00 1.31 0.00 0.00 55.95 55.99 2crm s SER 96 Cb -0.13 0.27 0.18 0.00 0.21 0.00 0.00 66.02 66.55 2crm s SER 96 CO -0.12 -0.69 0.55 -0.90 0.41 0.00 0.00 173.24 172.49 2crm n ASP 97 N -0.04 -1.73 0.00 2.44 5.75 -1.26 0.11 116.55 121.83 2crm n ASP 97 Ca -0.08 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 2crm n ASP 97 Cb 0.63 -1.92 0.00 0.00 -1.03 0.00 0.00 41.12 38.80 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2crm n GLY 98 N -1.38 1.05 0.00 6.12 0.00 -1.26 -4.90 105.19 104.81 2crm n GLY 98 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 1.01 3.13 -0.02 0.00 0.12 -5.07 105.19 104.36 2crm n GLY 99 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 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 1.98 0.68 0.27 1.61 0.00 -1.26 0.20 119.66 123.14 2crm s GLN 100 Ca 0.00 -1.05 -0.02 0.00 -0.00 0.00 0.00 55.36 54.29 2crm s GLN 100 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 33.01 33.22 2crm s GLN 100 CO 0.00 -0.17 0.50 0.45 0.00 0.00 0.00 175.29 176.07 2crm s SER 101 N -2.75 6.38 0.46 12.60 0.15 -1.01 -4.92 113.70 124.62 2crm s SER 101 Ca 0.04 0.53 -0.15 0.00 0.70 0.00 0.00 55.95 57.07 2crm s SER 101 Cb 0.05 -2.07 -0.13 0.00 -1.71 0.00 0.00 66.02 62.17 2crm s SER 101 CO -0.09 -0.17 -0.16 0.00 1.20 0.00 0.00 173.24 174.02 2crm n ALA 102 N -1.07 -3.03 -1.57 5.45 0.00 -1.26 -4.51 120.51 114.52 2crm n ALA 102 Ca -0.04 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 2crm n ALA 102 Cb 0.54 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.89 2crm n ALA 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2crm s VAL 103 N -1.70 3.65 0.48 0.00 -7.23 -1.26 -4.73 120.40 109.62 2crm s VAL 103 Ca 0.47 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 61.18 2crm s VAL 103 Cb -0.40 -3.28 0.01 0.00 0.56 0.00 0.00 36.38 33.26 2crm s VAL 103 CO 0.57 -0.70 0.71 -0.94 -0.31 0.00 0.00 175.10 174.43 2crm s SER 104 N -3.84 5.67 0.99 4.85 1.04 -1.15 -4.96 113.70 116.31 2crm s SER 104 Ca 0.59 0.23 -0.17 0.00 0.48 0.00 0.00 55.95 57.08 2crm s SER 104 Cb -0.14 -1.37 -0.05 0.00 0.10 0.00 0.00 66.02 64.56 2crm s SER 104 CO 0.55 -0.83 -0.33 -0.62 0.98 0.00 0.00 173.24 172.98 2crm n GLU 105 N -2.17 -0.29 -2.96 4.02 1.02 -1.26 -4.64 120.64 114.36 2crm n GLU 105 Ca 0.03 -0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.71 2crm n GLU 105 Cb 0.58 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.49 7.40 -0.50 1.62 1.04 -1.26 -4.58 113.70 115.94 2crm s SER 106 Ca 0.48 1.66 -0.15 0.00 0.48 0.00 0.00 55.95 58.42 2crm s SER 106 Cb -0.15 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.56 2crm s SER 106 CO 0.73 0.19 0.42 -0.22 0.98 0.00 0.00 173.24 175.35 2crm s LEU 107 N -1.06 5.84 -0.46 2.42 2.96 0.54 -4.88 118.68 124.02 2crm s LEU 107 Ca 0.36 -1.60 -0.25 0.00 -0.22 0.00 0.00 54.13 52.42 2crm s LEU 107 Cb -0.23 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.33 2crm s LEU 107 CO 0.27 -0.73 0.92 -0.22 -1.32 0.00 0.00 176.35 175.26 2crm s LEU 108 N 1.58 4.03 -0.19 -0.68 2.96 -1.26 -3.06 118.68 122.05 2crm s LEU 108 Ca 0.04 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2crm s LEU 108 Cb -0.27 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.29 2crm s LEU 108 CO 0.04 -1.05 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.23 2crm s VAL 109 N 3.73 1.56 -0.09 1.68 1.01 -1.23 -5.03 120.40 122.03 2crm s VAL 109 Ca 0.36 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2crm s VAL 109 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2crm s VAL 109 CO 0.26 0.21 0.56 0.00 0.00 0.00 0.00 175.10 176.13 2crm s GLN 110 N 1.44 4.36 0.01 2.72 -2.07 -1.26 -4.01 119.66 120.86 2crm s GLN 110 Ca -0.00 0.61 -0.12 0.00 -1.82 0.00 0.00 55.36 54.03 2crm s GLN 110 Cb -0.16 -3.43 -0.05 0.00 -1.09 0.00 0.00 33.01 28.28 2crm s GLN 110 CO -0.08 0.16 0.37 0.95 -1.32 0.00 0.00 175.29 175.36 2crm s THR 111 N 0.58 5.12 -0.37 3.63 -4.23 -1.12 -4.99 115.64 114.25 2crm s THR 111 Ca 0.30 0.62 -0.28 0.00 -1.18 0.00 0.00 61.69 61.15 2crm s THR 111 Cb -0.16 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 2crm s THR 111 CO 0.13 0.49 1.71 -2.16 -0.54 0.00 0.00 174.62 174.26 2crm s PRO 112 N -1.34 3.34 0.20 3.99 0.04 -1.26 -0.83 135.00 139.14 2crm s PRO 112 Ca 0.26 1.26 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 2crm s PRO 112 Cb -0.15 -4.17 -0.13 0.00 0.04 0.00 0.00 34.50 30.09 2crm s PRO 112 CO 0.14 -1.85 1.59 0.00 0.04 0.00 0.00 177.00 176.92 2crm n ALA 113 N 10.10 1.80 0.89 8.56 0.00 -1.26 -4.00 120.51 136.60 2crm n ALA 113 Ca 0.21 0.42 0.12 0.00 0.00 0.00 0.00 53.44 54.20 2crm n ALA 113 Cb 0.47 -2.39 0.23 0.00 0.00 0.00 0.00 19.45 17.76 2crm n ALA 113 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2crm n VAL 114 N 3.20 0.08 -0.11 0.00 0.24 -1.26 -4.37 118.33 116.11 2crm n VAL 114 Ca 0.15 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.34 62.22 2crm n VAL 114 Cb 0.31 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.78 2crm n VAL 114 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2crm n SER 115 N -1.65 1.95 0.00 -1.34 2.88 -1.26 -5.14 113.62 109.06 2crm n SER 115 Ca 0.05 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2crm n SER 115 Cb 0.36 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2crm n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crm n GLY 116 N 1.39 0.58 3.57 0.46 0.00 -1.26 -5.01 105.19 104.92 2crm n GLY 116 Ca -0.28 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 2crm n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crm s PRO 117 N -2.00 2.52 0.20 1.61 0.04 -1.26 -4.82 135.00 131.29 2crm s PRO 117 Ca 0.00 -0.79 -0.08 0.00 0.04 0.00 0.00 61.00 60.17 2crm s PRO 117 Cb 0.00 -5.17 0.30 0.00 0.04 0.00 0.00 34.50 29.67 2crm s PRO 117 CO 0.00 -3.72 1.17 0.43 0.04 0.00 0.00 177.00 174.92 2crm n SER 118 N 14.19 -0.33 -4.35 6.66 7.64 -1.26 -2.42 113.62 133.75 2crm n SER 118 Ca 0.43 1.30 -0.46 0.00 1.01 0.00 0.00 58.87 61.14 2crm n SER 118 Cb 0.47 -0.37 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 2crm n SER 118 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2crm s SER 119 N -5.22 6.87 0.00 6.43 0.01 -1.26 -5.27 113.70 115.26 2crm s SER 119 Ca -0.11 -2.81 0.00 0.00 1.31 0.00 0.00 55.95 54.34 2crm s SER 119 Cb 0.19 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2crm s SER 119 CO 0.57 -0.57 0.39 0.61 0.41 0.00 0.00 173.24 174.65