#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 3.86 0.07 1.61 0.01 -1.26 -5.16 113.70 112.83 2crm s SER 2 Ca 0.00 -1.23 -0.08 0.00 1.31 0.00 0.00 55.95 55.95 2crm s SER 2 Cb 0.00 -0.39 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 2crm s SER 2 CO 0.00 -0.31 0.18 -0.55 0.41 0.00 0.00 173.24 172.97 2crm s SER 3 N -3.67 0.12 -0.28 2.44 0.15 -1.26 -5.15 113.70 106.06 2crm s SER 3 Ca 0.34 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.40 2crm s SER 3 Cb 0.05 0.32 0.15 0.00 -1.71 0.00 0.00 66.02 64.83 2crm s SER 3 CO 0.18 -0.67 0.39 -0.83 1.20 0.00 0.00 173.24 173.51 2crm s GLY 4 N -2.65 -0.51 -0.28 9.45 0.00 -1.26 -5.13 107.32 106.94 2crm s GLY 4 Ca 0.02 0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.92 2crm s GLY 4 CO -0.09 2.93 0.83 -0.45 0.00 0.00 0.00 173.10 176.32 2crm s SER 5 N 2.53 -0.72 1.00 1.64 0.15 -1.26 -5.16 113.70 111.88 2crm s SER 5 Ca 0.10 1.20 -0.19 0.00 0.70 0.00 0.00 55.95 57.77 2crm s SER 5 Cb -0.13 1.28 -0.13 0.00 -1.71 0.00 0.00 66.02 65.33 2crm s SER 5 CO -0.27 -0.19 -0.79 -1.20 1.20 0.00 0.00 173.24 171.99 2crm n SER 6 N 3.73 -4.99 -4.56 5.45 7.64 -1.26 -4.59 113.62 115.05 2crm n SER 6 Ca -0.18 0.16 -0.17 0.00 1.01 0.00 0.00 58.87 59.69 2crm n SER 6 Cb 0.58 -0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 2crm n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crm s GLY 7 N -1.13 -0.59 0.18 0.23 0.00 -1.26 -4.90 107.32 99.85 2crm s GLY 7 Ca 0.42 -0.98 0.10 0.00 0.00 0.00 0.00 44.72 44.26 2crm s GLY 7 CO 0.78 4.05 -0.22 -1.34 0.00 0.00 0.00 173.10 176.37 2crm s VAL 8 N 13.70 2.13 -0.20 1.40 -7.23 -1.26 -5.05 120.40 123.89 2crm s VAL 8 Ca 0.87 -1.97 0.12 0.00 -1.81 0.00 0.00 61.98 59.19 2crm s VAL 8 Cb -0.11 -1.99 -0.20 0.00 0.56 0.00 0.00 36.38 34.63 2crm s VAL 8 CO 0.06 -0.19 -0.02 0.52 -0.31 0.00 0.00 175.10 175.16 2crm n VAL 9 N 0.31 1.27 -2.97 1.32 0.31 -1.26 -4.78 118.33 112.54 2crm n VAL 9 Ca -0.13 -0.69 -0.44 0.00 -0.01 0.00 0.00 64.34 63.07 2crm n VAL 9 Cb 0.56 -0.77 -0.02 0.00 -0.91 0.00 0.00 33.84 32.70 2crm n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2crm s GLU 10 N -2.45 3.64 -1.45 5.55 0.41 -1.26 -4.93 118.70 118.21 2crm s GLU 10 Ca -0.16 -1.89 -0.11 0.00 -0.41 0.00 0.00 54.97 52.40 2crm s GLU 10 Cb 0.06 -4.88 0.04 0.00 -1.78 0.00 0.00 34.13 27.57 2crm s GLU 10 CO 0.68 -1.73 2.37 1.19 -0.49 0.00 0.00 175.26 177.28 2crm n PHE 11 N 6.24 3.01 -3.19 1.61 3.01 -1.26 -4.46 117.46 122.42 2crm n PHE 11 Ca 0.24 -2.95 -0.23 0.00 1.01 0.00 0.00 57.45 55.52 2crm n PHE 11 Cb 0.48 -2.33 0.04 0.00 -0.01 0.00 0.00 39.48 37.66 2crm n PHE 11 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2crm n THR 12 N 3.95 -2.12 -4.01 4.37 -1.04 -1.26 -4.97 114.28 109.20 2crm n THR 12 Ca 0.58 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 62.24 2crm n THR 12 Cb 0.33 -3.44 -0.12 0.00 -1.82 0.00 0.00 70.33 65.28 2crm n THR 12 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2crm s THR 13 N -3.19 4.35 -0.00 12.58 -4.23 -1.26 -5.02 115.64 118.86 2crm s THR 13 Ca 0.38 -0.18 -0.22 0.00 -1.18 0.00 0.00 61.69 60.49 2crm s THR 13 Cb -0.17 -2.98 -0.12 0.00 1.34 0.00 0.00 72.50 70.57 2crm s THR 13 CO 0.47 0.42 0.94 0.00 -0.54 0.00 0.00 174.62 175.90 2crm n PRO 15 N -5.18 -2.46 -3.51 0.00 -0.04 -1.26 -5.07 135.00 117.48 2crm n PRO 15 Ca -0.10 -1.18 -0.20 0.00 -0.04 0.00 0.00 63.50 61.98 2crm n PRO 15 Cb 0.31 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 -3.50 6.04 0.41 3.54 1.01 -1.26 -4.93 116.67 117.98 2crm s ASP 16 Ca 0.48 -0.07 -0.24 0.00 0.71 0.00 0.00 52.55 53.44 2crm s ASP 16 Cb -0.05 -1.41 -0.09 0.00 1.01 0.00 0.00 42.92 42.38 2crm s ASP 16 CO 0.37 -0.39 1.06 -1.59 0.21 0.00 0.00 175.17 174.83 2crm s LYS 17 N -4.18 4.11 0.95 8.23 -2.85 -1.26 -3.64 119.74 121.09 2crm s LYS 17 Ca 0.43 1.53 -0.16 0.00 -1.00 0.00 0.00 55.97 56.77 2crm s LYS 17 Cb -0.09 -2.51 0.23 0.00 -2.06 0.00 0.00 37.83 33.40 2crm s LYS 17 CO 0.32 -0.19 0.84 -0.35 0.10 0.00 0.00 175.35 176.06 2crm n PRO 18 N -0.15 -2.66 0.00 1.78 -0.04 -1.26 -4.79 135.00 127.89 2crm n PRO 18 Ca 0.05 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 2crm n PRO 18 Cb 0.50 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2crm n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2crm n GLY 19 N -3.10 5.47 3.55 0.55 0.00 -1.26 -5.02 105.19 105.38 2crm n GLY 19 Ca 0.12 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.28 2crm n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2crm s ILE 20 N 1.22 4.08 1.10 -0.61 1.01 -1.26 -4.55 121.20 122.18 2crm s ILE 20 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 2crm s ILE 20 Cb 0.00 -2.78 0.24 0.00 0.01 0.00 0.00 42.46 39.93 2crm s ILE 20 CO 0.00 0.51 1.10 -2.16 0.00 0.00 0.00 174.94 174.39 2crm s PRO 21 N 0.14 -0.37 0.37 2.79 0.04 -1.26 -4.88 135.00 131.83 2crm s PRO 21 Ca -0.00 0.24 -0.22 0.00 0.04 0.00 0.00 61.00 61.05 2crm s PRO 21 Cb -0.13 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 2crm s PRO 21 CO 0.02 -3.21 0.92 0.08 0.04 0.00 0.00 177.00 174.85 2crm s VAL 22 N -2.98 4.35 0.19 -0.36 1.01 -1.07 -4.79 120.40 116.76 2crm s VAL 22 Ca 0.68 1.57 -0.33 0.00 0.00 0.00 0.00 61.98 63.90 2crm s VAL 22 Cb -0.15 -3.78 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2crm s VAL 22 CO 0.57 -0.09 1.58 1.17 0.00 0.00 0.00 175.10 178.33 2crm n LYS 23 N -0.06 2.29 -2.20 2.72 0.00 -1.26 -4.27 118.16 115.39 2crm n LYS 23 Ca 0.04 0.83 -0.42 0.00 0.00 0.00 0.00 58.31 58.76 2crm n LYS 23 Cb 0.52 -2.59 -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 0.67 4.32 0.46 1.64 0.04 -1.26 -4.58 135.00 136.29 2crm s PRO 24 Ca 0.75 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.89 2crm s PRO 24 Cb -0.63 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 2crm s PRO 24 CO 0.39 -0.45 0.23 0.45 0.04 0.00 0.00 177.00 177.66 2crm s SER 25 N 1.29 4.48 0.40 6.66 0.15 -0.91 -4.83 113.70 120.94 2crm s SER 25 Ca 0.64 -1.19 -0.22 0.00 0.70 0.00 0.00 55.95 55.88 2crm s SER 25 Cb -0.35 -0.10 -0.10 0.00 -1.71 0.00 0.00 66.02 63.76 2crm s SER 25 CO 0.29 -0.75 0.96 -0.69 1.20 0.00 0.00 173.24 174.25 2crm s VAL 26 N -2.68 4.29 -0.11 4.45 1.01 -1.26 -1.71 120.40 124.38 2crm s VAL 26 Ca 0.35 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2crm s VAL 26 Cb 0.01 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2crm s VAL 26 CO 0.20 -0.19 -0.10 -0.75 0.00 0.00 0.00 175.10 174.26 2crm s LYS 27 N -2.87 1.74 7.16 2.72 2.20 -0.48 -4.81 119.74 125.41 2crm s LYS 27 Ca 0.59 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2crm s LYS 27 Cb -0.12 -1.66 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 2crm s LYS 27 CO 0.17 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2crm n GLY 28 N 4.64 1.71 3.45 5.54 0.00 -1.26 -4.42 105.19 114.86 2crm n GLY 28 Ca -0.16 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 2.08 -0.59 1.61 1.02 -1.26 -5.09 119.74 117.51 2crm s LYS 29 Ca 0.00 -0.97 -0.17 0.00 0.02 0.00 0.00 55.97 54.85 2crm s LYS 29 Cb 0.00 -2.19 0.12 0.00 -0.52 0.00 0.00 37.83 35.24 2crm s LYS 29 CO 0.00 0.54 0.62 0.42 -0.92 0.00 0.00 175.35 176.01 2crm s ILE 30 N -0.91 5.04 0.80 2.17 1.01 -1.26 -4.68 121.20 123.37 2crm s ILE 30 Ca 0.14 -1.32 -0.13 0.00 0.00 0.00 0.00 60.65 59.35 2crm s ILE 30 Cb -0.10 -4.43 0.20 0.00 0.01 0.00 0.00 42.46 38.14 2crm s ILE 30 CO 0.05 -1.01 0.45 1.41 0.00 0.00 0.00 174.94 175.84 2crm n HIS 31 N 5.71 -2.81 0.37 3.97 8.25 -0.70 -4.61 115.22 125.39 2crm n HIS 31 Ca -0.10 -0.39 -0.18 0.00 -0.26 0.00 0.00 57.72 56.80 2crm n HIS 31 Cb 0.42 -0.73 -0.09 0.00 1.12 0.00 0.00 29.99 30.70 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 -2.82 -0.84 -1.34 0.41 0.02 -1.97 -3.37 113.55 103.64 2crm h SER 32 Ca -0.21 0.04 -0.44 0.00 -0.84 0.00 0.00 61.79 60.34 2crm h SER 32 Cb 0.69 0.23 -0.41 0.00 0.14 0.00 0.00 62.40 63.05 2crm h SER 32 CO 0.12 -0.57 -1.07 0.00 -1.14 0.00 0.00 176.83 174.17 2crm n HIS 33 N -5.50 1.64 -3.24 3.45 1.44 -1.26 -4.31 115.22 107.44 2crm n HIS 33 Ca -0.13 -3.09 0.03 0.00 -2.01 0.00 0.00 57.72 52.52 2crm n HIS 33 Cb 0.39 -0.33 -0.03 0.00 0.12 0.00 0.00 29.99 30.13 2crm n HIS 33 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2crm s SER 34 N -3.12 -0.29 -0.07 4.39 0.15 -1.25 -2.21 113.70 111.29 2crm s SER 34 Ca 0.35 0.34 -0.12 0.00 0.70 0.00 0.00 55.95 57.22 2crm s SER 34 Cb 0.42 1.31 0.02 0.00 -1.71 0.00 0.00 66.02 66.06 2crm s SER 34 CO -0.04 -0.06 0.29 0.72 1.20 0.00 0.00 173.24 175.36 2crm s PHE 35 N 2.41 -0.25 -0.07 3.44 -0.12 -1.13 -1.72 117.98 120.54 2crm s PHE 35 Ca -0.02 0.54 -0.14 0.00 -0.05 0.00 0.00 56.93 57.26 2crm s PHE 35 Cb -0.05 0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 2crm s PHE 35 CO -0.15 -0.25 0.36 0.15 -0.05 0.00 0.00 175.22 175.28 2crm s LYS 36 N -0.49 4.01 -0.07 1.99 1.02 -1.26 -0.86 119.74 124.08 2crm s LYS 36 Ca -0.06 0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.27 2crm s LYS 36 Cb -0.04 -3.30 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2crm s LYS 36 CO 0.02 0.52 -0.22 0.96 -0.92 0.00 0.00 175.35 175.70 2crm s ILE 37 N -0.46 1.88 -0.06 2.17 -4.36 -0.40 -1.38 121.20 118.59 2crm s ILE 37 Ca 0.21 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.69 2crm s ILE 37 Cb -0.15 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 41.95 2crm s ILE 37 CO 0.10 0.52 -0.16 0.28 0.24 0.00 0.00 174.94 175.92 2crm s THR 38 N 0.10 1.42 0.09 8.37 -1.32 -0.70 -2.64 115.64 120.95 2crm s THR 38 Ca -0.09 -0.68 0.07 0.00 -1.21 0.00 0.00 61.69 59.77 2crm s THR 38 Cb -0.15 -1.24 -0.04 0.00 -1.51 0.00 0.00 72.50 69.57 2crm s THR 38 CO 0.05 0.41 -0.14 -1.66 -2.21 0.00 0.00 174.62 171.08 2crm s TRP 39 N 0.25 2.66 0.32 9.09 -2.14 -1.16 -2.14 118.94 125.81 2crm s TRP 39 Ca -0.09 -0.20 -0.28 0.00 2.66 0.00 0.00 56.10 58.20 2crm s TRP 39 Cb -0.13 -1.43 -0.09 0.00 -3.10 0.00 0.00 33.47 28.71 2crm s TRP 39 CO 0.03 0.38 1.05 -0.51 -2.66 0.00 0.00 176.95 175.24 2crm s ASP 40 N -1.96 7.15 0.72 -2.66 1.01 -1.26 -4.93 116.67 114.73 2crm s ASP 40 Ca 0.19 2.13 -0.13 0.00 0.71 0.00 0.00 52.55 55.45 2crm s ASP 40 Cb -0.11 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.24 2crm s ASP 40 CO 0.10 -0.22 1.10 -2.16 0.21 0.00 0.00 175.17 174.21 2crm s PRO 41 N -1.80 2.49 -0.15 8.23 0.04 -1.26 -2.60 135.00 139.96 2crm s PRO 41 Ca 0.49 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 2crm s PRO 41 Cb -0.27 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2crm s PRO 41 CO 0.35 -1.47 1.56 -1.25 0.04 0.00 0.00 177.00 176.22 2crm s PRO 42 N -4.54 4.03 0.04 0.56 0.04 -1.26 -4.74 135.00 129.13 2crm s PRO 42 Ca 0.64 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 63.31 2crm s PRO 42 Cb -0.19 -3.96 -0.15 0.00 0.04 0.00 0.00 34.50 30.24 2crm s PRO 42 CO 0.49 -1.01 1.47 -0.22 0.04 0.00 0.00 177.00 177.78 2crm h LYS 43 N 9.77 0.15 -1.05 4.56 1.63 -1.93 -3.08 116.57 126.62 2crm h LYS 43 Ca -0.34 -0.05 -0.61 0.00 -0.85 0.00 0.00 60.65 58.80 2crm h LYS 43 Cb 1.15 -0.01 -0.28 0.00 -0.60 0.00 0.00 32.23 32.49 2crm h LYS 43 CO 0.98 0.40 0.79 -0.25 -3.45 0.00 0.00 179.45 177.92 2crm n ASP 44 N -4.84 6.80 -0.26 4.20 8.00 -1.26 -4.73 116.55 124.46 2crm n ASP 44 Ca -0.06 -3.67 0.25 0.00 0.71 0.00 0.00 54.79 52.01 2crm n ASP 44 Cb 0.19 -0.95 0.45 0.00 -0.02 0.00 0.00 41.12 40.78 2crm n ASP 44 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2crm n ASN 45 N -0.84 0.24 0.00 -2.24 6.94 -1.17 -4.78 115.26 113.41 2crm n ASN 45 Ca 0.59 1.19 0.00 0.00 -0.02 0.00 0.00 54.58 56.34 2crm n ASN 45 Cb 0.84 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 2crm n ASN 45 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2crm n GLY 46 N -1.23 -0.15 0.10 4.83 0.00 -1.26 -4.27 105.19 103.21 2crm n GLY 46 Ca 0.28 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 2crm n GLY 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2crm h GLY 47 N 0.00 0.00 -4.74 -0.02 0.00 -1.88 -3.45 103.07 92.98 2crm h GLY 47 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2crm h GLY 47 CO 0.00 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.64 2crm s ALA 48 N -2.84 3.39 -0.23 3.60 0.00 -1.24 -4.77 121.76 119.67 2crm s ALA 48 Ca 0.02 0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 2crm s ALA 48 Cb 0.09 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2crm s ALA 48 CO 0.78 0.05 0.42 0.99 0.00 0.00 0.00 175.76 178.01 2crm s THR 49 N 0.10 5.16 0.29 0.00 2.01 -1.26 -4.91 115.64 117.03 2crm s THR 49 Ca 0.37 0.72 -0.17 0.00 0.31 0.00 0.00 61.69 62.91 2crm s THR 49 Cb -0.19 -3.75 -0.12 0.00 0.01 0.00 0.00 72.50 68.45 2crm s THR 49 CO 0.21 0.19 0.11 -0.38 -0.69 0.00 0.00 174.62 174.05 2crm n ILE 50 N 4.73 0.63 -0.03 1.82 2.08 -1.26 -4.87 119.36 122.46 2crm n ILE 50 Ca -0.07 -0.39 -0.06 0.00 0.56 0.00 0.00 62.75 62.79 2crm n ILE 50 Cb 0.51 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 39.37 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 1.77 1.33 -3.84 4.38 2.85 -1.23 -5.03 115.26 115.49 2crm n ASN 51 Ca 0.09 0.04 -0.12 0.00 -0.11 0.00 0.00 54.58 54.49 2crm n ASN 51 Cb 0.29 -0.15 -0.10 0.00 1.24 0.00 0.00 39.78 41.06 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 -2.11 0.49 -0.48 1.20 2.20 -1.25 -4.86 119.74 114.93 2crm s LYS 52 Ca -0.08 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 2crm s LYS 52 Cb 0.03 0.21 0.13 0.00 -1.51 0.00 0.00 37.83 36.68 2crm s LYS 52 CO 0.11 -0.12 0.24 0.71 -0.36 0.00 0.00 175.35 175.94 2crm s TYR 53 N -1.17 3.48 0.37 4.03 2.02 -0.55 -2.42 117.35 123.11 2crm s TYR 53 Ca -0.12 -2.83 -0.02 0.00 -0.37 0.00 0.00 57.07 53.73 2crm s TYR 53 Cb -0.06 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 2crm s TYR 53 CO 0.02 -0.87 0.61 0.08 -1.57 0.00 0.00 175.55 173.81 2crm s VAL 54 N 0.40 5.04 -0.00 0.71 1.01 -1.13 -3.91 120.40 122.52 2crm s VAL 54 Ca 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2crm s VAL 54 Cb -0.22 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2crm s VAL 54 CO -0.04 -0.59 0.07 -0.69 0.00 0.00 0.00 175.10 173.85 2crm s VAL 55 N -2.38 0.07 0.02 2.92 1.01 -1.08 -2.67 120.40 118.29 2crm s VAL 55 Ca 0.42 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2crm s VAL 55 Cb -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2crm s VAL 55 CO 0.37 -0.31 -0.15 -1.61 0.00 0.00 0.00 175.10 173.40 2crm s GLU 56 N -1.00 1.06 0.11 2.72 8.01 -0.46 -1.90 118.70 127.23 2crm s GLU 56 Ca -0.11 -0.68 0.06 0.00 0.01 0.00 0.00 54.97 54.25 2crm s GLU 56 Cb -0.06 -1.07 -0.04 0.00 -4.31 0.00 0.00 34.13 28.65 2crm s GLU 56 CO 0.00 0.28 -0.14 1.41 0.01 0.00 0.00 175.26 176.81 2crm s MET 57 N -0.84 0.98 0.12 1.61 1.75 -1.23 -0.68 119.30 121.00 2crm s MET 57 Ca 0.04 -1.16 0.04 0.00 -1.25 0.00 0.00 55.69 53.35 2crm s MET 57 Cb -0.07 -0.91 -0.04 0.00 2.84 0.00 0.00 34.83 36.65 2crm s MET 57 CO 0.01 0.18 -0.09 0.00 -0.65 0.00 0.00 175.02 174.47 2crm s ALA 58 N -1.87 1.26 -0.52 4.11 0.00 0.84 -3.71 121.76 121.87 2crm s ALA 58 Ca 0.06 -1.39 -0.27 0.00 0.00 0.00 0.00 51.96 50.36 2crm s ALA 58 Cb -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2crm s ALA 58 CO 0.03 -0.12 1.93 -1.21 0.00 0.00 0.00 175.76 176.39 2crm s GLU 59 N -3.59 2.72 0.00 0.00 8.01 -1.26 -2.56 118.70 122.03 2crm s GLU 59 Ca 0.13 0.94 0.00 0.00 0.01 0.00 0.00 54.97 56.05 2crm s GLU 59 Cb 0.02 -4.37 0.00 0.00 -4.31 0.00 0.00 34.13 25.47 2crm s GLU 59 CO -0.01 -2.60 0.00 0.41 0.01 0.00 0.00 175.26 173.07 2crm n GLY 60 N 5.68 0.67 3.57 -1.39 0.00 -0.82 -2.97 105.19 109.93 2crm n GLY 60 Ca 0.23 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2crm n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crm s SER 61 N -2.98 5.73 0.40 1.61 0.15 -1.26 -4.08 113.70 113.28 2crm s SER 61 Ca 0.00 -1.54 0.04 0.00 0.70 0.00 0.00 55.95 55.15 2crm s SER 61 Cb 0.00 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.69 2crm s SER 61 CO 0.00 -2.28 0.05 0.21 1.20 0.00 0.00 173.24 172.42 2crm s ASN 62 N 6.12 3.16 0.00 5.45 2.47 -1.16 -5.15 114.94 125.83 2crm s ASN 62 Ca 0.61 -1.50 0.00 0.00 0.42 0.00 0.00 52.86 52.39 2crm s ASN 62 Cb -0.01 0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.90 2crm s ASN 62 CO 0.04 -0.70 0.00 0.61 -3.72 0.00 0.00 177.10 173.33 2crm n GLY 63 N -0.92 -2.95 3.58 1.21 0.00 -1.26 -4.74 105.19 100.11 2crm n GLY 63 Ca -0.07 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 2crm n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s ASN 64 N -1.83 5.74 -0.48 1.61 4.22 -1.26 -4.82 114.94 118.11 2crm s ASN 64 Ca 0.00 -1.86 0.03 0.00 -2.14 0.00 0.00 52.86 48.88 2crm s ASN 64 Cb 0.00 -2.58 0.15 0.00 1.28 0.00 0.00 41.25 40.09 2crm s ASN 64 CO 0.00 -2.32 0.30 -0.75 -2.04 0.00 0.00 177.10 172.29 2crm s LYS 65 N 5.65 1.46 0.08 3.55 2.47 -1.26 -5.10 119.74 126.59 2crm s LYS 65 Ca 0.62 -2.27 0.07 0.00 -1.56 0.00 0.00 55.97 52.83 2crm s LYS 65 Cb 0.01 -2.44 -0.04 0.00 -1.46 0.00 0.00 37.83 33.90 2crm s LYS 65 CO 0.09 -1.21 -0.12 -1.58 0.16 0.00 0.00 175.35 172.69 2crm s TRP 66 N -0.02 2.69 -0.20 4.03 0.52 -1.26 -4.19 118.94 120.51 2crm s TRP 66 Ca 0.21 -0.18 -0.14 0.00 0.02 0.00 0.00 56.10 56.01 2crm s TRP 66 Cb -0.17 -1.45 0.06 0.00 -1.15 0.00 0.00 33.47 30.76 2crm s TRP 66 CO -0.05 0.38 0.50 -2.00 0.02 0.00 0.00 176.95 175.80 2crm s GLU 67 N -1.96 0.54 0.12 4.98 2.56 -1.24 -4.99 118.70 118.70 2crm s GLU 67 Ca 0.19 0.83 -0.35 0.00 0.00 0.00 0.00 54.97 55.64 2crm s GLU 67 Cb -0.11 0.14 -0.16 0.00 2.00 0.00 0.00 34.13 36.00 2crm s GLU 67 CO 0.11 -0.12 1.26 -0.12 -0.56 0.00 0.00 175.26 175.83 2crm n MET 68 N 3.64 1.10 0.00 4.30 0.00 -1.26 -3.57 117.12 121.33 2crm n MET 68 Ca -0.18 0.40 0.00 0.00 -0.00 0.00 0.00 57.70 57.91 2crm n MET 68 Cb 0.56 -1.97 0.00 0.00 0.00 0.00 0.00 33.22 31.81 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 2.08 0.00 -3.93 1.12 -5.35 -0.80 -4.96 119.36 107.53 2crm n ILE 69 Ca 0.17 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.55 2crm n ILE 69 Cb 0.21 -0.66 -0.11 0.00 -1.74 0.00 0.00 39.64 37.33 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 -1.70 0.14 -0.24 4.28 5.04 -1.23 -5.02 117.35 118.62 2crm s TYR 70 Ca 0.00 -0.29 -0.11 0.00 -2.44 0.00 0.00 57.07 54.22 2crm s TYR 70 Cb 0.00 -0.11 0.08 0.00 0.35 0.00 0.00 41.96 42.28 2crm s TYR 70 CO 0.00 -0.18 0.55 -1.54 -1.34 0.00 0.00 175.55 173.04 2crm s SER 71 N -1.12 -0.73 0.00 4.32 1.04 -1.26 -2.64 113.70 113.31 2crm s SER 71 Ca -0.12 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.56 2crm s SER 71 Cb -0.07 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.42 2crm s SER 71 CO -0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2crm n GLY 72 N 4.71 -0.54 0.04 7.32 0.00 -1.25 -5.03 105.19 110.44 2crm n GLY 72 Ca -0.17 -0.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 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 0.35 -1.03 4.61 0.00 -1.26 -1.49 120.51 121.69 2crm n ALA 73 Ca 0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 53.44 52.71 2crm n ALA 73 Cb 0.00 0.01 -0.01 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 -3.62 0.68 -1.30 0.00 -1.04 -1.26 -4.58 114.28 103.17 2crm n THR 74 Ca -0.06 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.05 61.27 2crm n THR 74 Cb 0.21 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.84 2crm n THR 74 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2crm n ARG 75 N 1.00 2.48 -3.63 -2.82 1.85 -1.26 -4.85 116.66 109.44 2crm n ARG 75 Ca 0.10 -3.17 -0.08 0.00 -1.00 0.00 0.00 57.85 53.69 2crm n ARG 75 Cb 0.29 -2.23 -0.09 0.00 -1.05 0.00 0.00 32.46 29.38 2crm n ARG 75 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2crm s GLU 76 N -3.57 0.33 0.16 2.89 2.02 -1.26 -3.00 118.70 116.27 2crm s GLU 76 Ca 0.61 1.01 0.08 0.00 0.02 0.00 0.00 54.97 56.69 2crm s GLU 76 Cb 0.49 0.30 -0.04 0.00 0.10 0.00 0.00 34.13 34.98 2crm s GLU 76 CO 0.05 -0.28 -0.17 -1.58 0.02 0.00 0.00 175.26 173.30 2crm s HIS 77 N 2.62 1.75 -0.36 1.61 5.65 -1.08 -4.95 115.29 120.52 2crm s HIS 77 Ca -0.01 -0.49 -0.10 0.00 0.25 0.00 0.00 55.06 54.71 2crm s HIS 77 Cb -0.12 -0.87 0.02 0.00 -1.18 0.00 0.00 32.58 30.43 2crm s HIS 77 CO -0.13 0.30 0.19 -1.17 -0.65 0.00 0.00 174.74 173.28 2crm s LEU 78 N -2.69 4.56 -1.03 8.88 2.96 -1.26 -1.28 118.68 128.82 2crm s LEU 78 Ca 0.15 -0.91 -0.22 0.00 -0.22 0.00 0.00 54.13 52.94 2crm s LEU 78 Cb -0.05 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.70 2crm s LEU 78 CO 0.06 -0.34 1.41 0.00 -1.32 0.00 0.00 176.35 176.16 2crm s ASP 80 N 4.64 5.21 -1.13 0.00 2.15 -1.26 -2.84 116.67 123.43 2crm s ASP 80 Ca 0.44 -0.02 -0.05 0.00 0.43 0.00 0.00 52.55 53.36 2crm s ASP 80 Cb -0.01 -0.83 0.01 0.00 -0.30 0.00 0.00 42.92 41.79 2crm s ASP 80 CO -0.08 -1.20 0.97 0.54 -0.17 0.00 0.00 175.17 175.23 2crm n ARG 81 N -2.39 -6.50 -2.98 4.34 1.74 -0.94 -4.94 116.66 105.00 2crm n ARG 81 Ca 0.08 0.73 -0.20 0.00 -0.77 0.00 0.00 57.85 57.70 2crm n ARG 81 Cb 0.60 -5.46 0.02 0.00 -1.02 0.00 0.00 32.46 26.59 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 -6.23 3.60 -0.50 0.55 1.43 -1.07 -5.06 118.68 111.40 2crm s LEU 82 Ca 0.30 -0.09 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 2crm s LEU 82 Cb -0.13 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 43.28 2crm s LEU 82 CO 0.64 -0.80 0.66 0.21 0.23 0.00 0.00 176.35 177.29 2crm s ASN 83 N -4.31 6.25 0.06 2.29 2.47 -1.26 -4.68 114.94 115.76 2crm s ASN 83 Ca 0.52 -0.75 -0.31 0.00 0.42 0.00 0.00 52.86 52.75 2crm s ASN 83 Cb -0.10 -2.31 -0.07 0.00 -1.45 0.00 0.00 41.25 37.32 2crm s ASN 83 CO 0.35 -0.90 1.40 -2.16 -3.72 0.00 0.00 177.10 172.07 2crm s PRO 84 N 2.80 4.30 0.00 0.43 0.04 -1.26 -3.21 135.00 138.10 2crm s PRO 84 Ca 0.18 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2crm s PRO 84 Cb -0.17 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2crm s PRO 84 CO 0.14 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2crm n GLY 85 N 3.58 1.15 3.46 0.56 0.00 -1.22 -4.79 105.19 107.93 2crm n GLY 85 Ca 0.12 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.37 2.16 -0.29 0.00 0.08 -1.26 -4.11 117.98 111.19 2crm s PHE 87 Ca 0.31 -0.14 -0.18 0.00 0.12 0.00 0.00 56.93 57.05 2crm s PHE 87 Cb 0.01 -2.90 0.13 0.00 -0.57 0.00 0.00 43.02 39.68 2crm s PHE 87 CO 0.18 -1.36 0.91 0.71 -0.10 0.00 0.00 175.22 175.56 2crm s TYR 88 N -2.99 -0.67 -0.15 0.36 2.02 -1.25 -1.94 117.35 112.72 2crm s TYR 88 Ca 0.62 1.39 -0.04 0.00 -0.37 0.00 0.00 57.07 58.67 2crm s TYR 88 Cb -0.08 0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.86 2crm s TYR 88 CO 0.42 -0.33 -0.01 1.03 -1.57 0.00 0.00 175.55 175.09 2crm s ARG 89 N 1.21 3.65 0.08 -0.62 0.52 -1.06 -3.25 118.95 119.49 2crm s ARG 89 Ca -0.07 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 54.74 2crm s ARG 89 Cb -0.04 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2crm s ARG 89 CO -0.14 0.31 -0.17 -0.51 0.02 0.00 0.00 175.30 174.81 2crm s LEU 90 N 0.19 2.26 -0.03 2.53 1.02 -0.99 -0.11 118.68 123.55 2crm s LEU 90 Ca -0.00 -0.61 -0.02 0.00 0.02 0.00 0.00 54.13 53.52 2crm s LEU 90 Cb -0.13 -0.71 0.02 0.00 0.02 0.00 0.00 46.19 45.39 2crm s LEU 90 CO 0.02 0.01 0.08 -0.13 0.02 0.00 0.00 176.35 176.35 2crm s ARG 91 N -1.66 0.06 0.01 1.70 0.52 0.14 -0.64 118.95 119.08 2crm s ARG 91 Ca 0.02 0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.45 2crm s ARG 91 Cb -0.10 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.29 2crm s ARG 91 CO 0.03 -0.07 -0.14 0.08 0.02 0.00 0.00 175.30 175.22 2crm s VAL 92 N 0.45 3.10 0.04 3.52 1.01 -1.26 -1.36 120.40 125.90 2crm s VAL 92 Ca -0.03 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 2crm s VAL 92 Cb -0.05 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.06 2crm s VAL 92 CO -0.02 0.42 0.36 -0.72 0.00 0.00 0.00 175.10 175.14 2crm s TYR 93 N -0.90 -0.20 0.22 5.22 1.13 -1.09 -2.11 117.35 119.62 2crm s TYR 93 Ca 0.15 0.13 0.06 0.00 -1.41 0.00 0.00 57.07 55.99 2crm s TYR 93 Cb -0.11 0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.88 2crm s TYR 93 CO 0.05 -0.53 0.24 0.00 -2.51 0.00 0.00 175.55 172.79 2crm s ILE 95 N -1.96 1.84 0.35 0.00 1.09 -1.01 -1.53 121.20 119.98 2crm s ILE 95 Ca 0.33 -2.76 0.08 0.00 -1.10 0.00 0.00 60.65 57.21 2crm s ILE 95 Cb -0.09 -2.29 -0.05 0.00 -1.06 0.00 0.00 42.46 38.97 2crm s ILE 95 CO 0.26 -0.83 0.06 -0.44 -0.10 0.00 0.00 174.94 173.89 2crm s SER 96 N 0.22 4.30 -1.51 3.58 0.01 -0.37 -3.57 113.70 116.35 2crm s SER 96 Ca 0.17 -0.98 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 2crm s SER 96 Cb -0.24 -0.56 0.05 0.00 0.21 0.00 0.00 66.02 65.47 2crm s SER 96 CO -0.01 -0.31 0.46 -0.67 0.41 0.00 0.00 173.24 173.12 2crm n ASP 97 N -1.04 -0.95 -3.92 2.44 2.03 -1.26 -1.08 116.55 112.77 2crm n ASP 97 Ca -0.03 -1.05 -0.27 0.00 0.52 0.00 0.00 54.79 53.96 2crm n ASP 97 Cb 0.63 -2.76 -0.01 0.00 -0.72 0.00 0.00 41.12 38.26 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2crm n GLY 98 N -1.90 -0.33 3.57 0.27 0.00 -1.26 -4.94 105.19 100.59 2crm n GLY 98 Ca -0.21 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 2crm n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2crm s GLY 99 N -4.25 -0.36 -0.06 -0.02 0.00 -0.24 -5.16 107.32 97.22 2crm s GLY 99 Ca 0.07 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 46.00 2crm s GLY 99 CO 0.89 0.41 0.17 1.20 0.00 0.00 0.00 173.10 175.77 2crm s GLN 100 N -2.71 3.46 0.56 2.90 1.11 -1.26 -1.24 119.66 122.47 2crm s GLN 100 Ca 0.08 -0.20 0.02 0.00 0.01 0.00 0.00 55.36 55.28 2crm s GLN 100 Cb -0.01 -3.14 0.05 0.00 -1.01 0.00 0.00 33.01 28.90 2crm s GLN 100 CO -0.06 0.73 0.78 -1.12 0.01 0.00 0.00 175.29 175.63 2crm s SER 101 N -1.45 5.18 0.32 5.90 0.01 -0.58 -4.98 113.70 118.10 2crm s SER 101 Ca 0.21 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2crm s SER 101 Cb -0.12 -0.65 -0.12 0.00 0.21 0.00 0.00 66.02 65.33 2crm s SER 101 CO 0.11 -1.21 1.45 0.00 0.41 0.00 0.00 173.24 174.01 2crm n ALA 102 N -2.34 1.94 -1.76 1.44 0.00 -1.26 -4.73 120.51 113.80 2crm n ALA 102 Ca 0.09 0.37 -0.37 0.00 0.00 0.00 0.00 53.44 53.53 2crm n ALA 102 Cb 0.60 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.65 2.82 0.60 0.00 -7.23 -1.26 -4.69 120.40 109.99 2crm s VAL 103 Ca 0.59 0.61 -0.07 0.00 -1.81 0.00 0.00 61.98 61.29 2crm s VAL 103 Cb -0.53 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2crm s VAL 103 CO 0.57 -0.02 0.94 -0.94 -0.31 0.00 0.00 175.10 175.34 2crm s SER 104 N -1.28 5.68 0.83 4.85 1.04 -0.90 -5.00 113.70 118.93 2crm s SER 104 Ca 0.67 0.87 -0.17 0.00 0.48 0.00 0.00 55.95 57.80 2crm s SER 104 Cb -0.32 -1.86 -0.12 0.00 0.10 0.00 0.00 66.02 63.82 2crm s SER 104 CO 0.38 -1.05 -0.38 -0.62 0.98 0.00 0.00 173.24 172.55 2crm n GLU 105 N -2.64 0.01 -2.76 4.02 1.02 -1.26 -4.52 120.64 114.50 2crm n GLU 105 Ca 0.05 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.85 2crm n GLU 105 Cb 0.57 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 30.76 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 -1.14 6.98 -0.29 1.62 1.04 -1.26 -4.64 113.70 116.01 2crm s SER 106 Ca 0.49 1.78 -0.04 0.00 0.48 0.00 0.00 55.95 58.66 2crm s SER 106 Cb -0.28 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.31 2crm s SER 106 CO 0.74 -0.33 0.01 -0.22 0.98 0.00 0.00 173.24 174.43 2crm s LEU 107 N -2.87 3.70 -0.35 2.42 2.96 0.18 -4.87 118.68 119.85 2crm s LEU 107 Ca 0.59 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 2crm s LEU 107 Cb -0.13 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2crm s LEU 107 CO 0.18 -0.21 0.31 -0.22 -1.32 0.00 0.00 176.35 175.09 2crm s LEU 108 N 1.36 4.58 -0.08 -0.68 2.96 -1.26 -2.34 118.68 123.22 2crm s LEU 108 Ca -0.01 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2crm s LEU 108 Cb -0.18 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.28 2crm s LEU 108 CO -0.01 -0.33 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.88 2crm s VAL 109 N 1.87 1.20 -0.25 1.68 1.01 -1.20 -5.00 120.40 119.71 2crm s VAL 109 Ca 0.09 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2crm s VAL 109 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2crm s VAL 109 CO 0.11 0.38 0.10 0.00 0.00 0.00 0.00 175.10 175.69 2crm s GLN 110 N 0.85 3.77 0.30 2.72 -2.07 -1.26 -3.94 119.66 120.02 2crm s GLN 110 Ca -0.11 -0.42 -0.08 0.00 -1.82 0.00 0.00 55.36 52.93 2crm s GLN 110 Cb -0.15 -3.39 -0.06 0.00 -1.09 0.00 0.00 33.01 28.31 2crm s GLN 110 CO 0.01 -0.13 0.61 0.95 -1.32 0.00 0.00 175.29 175.41 2crm s THR 111 N 1.50 4.92 -0.03 3.63 -4.23 -1.26 -5.04 115.64 115.14 2crm s THR 111 Ca 0.06 0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 60.63 2crm s THR 111 Cb -0.15 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.95 2crm s THR 111 CO 0.05 -0.27 1.47 -2.16 -0.54 0.00 0.00 174.62 173.17 2crm s PRO 112 N -3.34 4.24 -0.11 3.99 0.04 -1.26 -3.42 135.00 135.15 2crm s PRO 112 Ca 0.47 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 2crm s PRO 112 Cb -0.11 -3.70 -0.02 0.00 0.04 0.00 0.00 34.50 30.71 2crm s PRO 112 CO 0.27 -0.68 1.11 0.00 0.04 0.00 0.00 177.00 177.74 2crm s ALA 113 N 2.98 3.50 -0.21 8.56 0.00 -1.26 -4.52 121.76 130.80 2crm s ALA 113 Ca 0.66 0.45 0.22 0.00 0.00 0.00 0.00 51.96 53.29 2crm s ALA 113 Cb -0.31 -3.50 0.47 0.00 0.00 0.00 0.00 23.12 19.78 2crm s ALA 113 CO 0.26 -0.77 1.64 -0.39 0.00 0.00 0.00 175.76 176.50 2crm h VAL 114 N 5.14 0.32 -0.98 0.00 -1.51 -1.94 -3.40 116.25 113.89 2crm h VAL 114 Ca -0.30 -1.30 -0.65 0.00 -1.23 0.00 0.00 66.70 63.21 2crm h VAL 114 Cb 1.14 2.03 -0.09 0.00 -2.13 0.00 0.00 31.29 32.24 2crm h VAL 114 CO 0.89 0.17 1.94 -0.55 -1.23 0.00 0.00 177.57 178.79 2crm s SER 115 N -6.21 6.73 0.00 4.19 0.15 -1.26 -4.82 113.70 112.48 2crm s SER 115 Ca 0.05 -2.12 0.00 0.00 0.70 0.00 0.00 55.95 54.58 2crm s SER 115 Cb 0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2crm s SER 115 CO 0.67 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2crm n GLY 116 N 5.88 2.74 3.72 9.45 0.00 -1.26 -5.09 105.19 120.62 2crm n GLY 116 Ca 0.43 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.79 4.34 -0.10 1.61 0.04 -1.26 -5.02 135.00 132.82 2crm s PRO 117 Ca 0.00 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 2crm s PRO 117 Cb 0.00 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.32 2crm s PRO 117 CO 0.00 -0.39 -0.04 0.45 0.04 0.00 0.00 177.00 177.06 2crm s SER 118 N 0.98 2.03 0.56 6.66 0.15 -1.26 -5.11 113.70 117.70 2crm s SER 118 Ca 0.63 -0.26 -0.18 0.00 0.70 0.00 0.00 55.95 56.83 2crm s SER 118 Cb -0.36 -0.69 -0.05 0.00 -1.71 0.00 0.00 66.02 63.21 2crm s SER 118 CO 0.31 -0.16 1.11 -0.94 1.20 0.00 0.00 173.24 174.76 2crm s SER 119 N 1.81 5.70 0.00 5.45 1.04 -1.26 -5.24 113.70 121.20 2crm s SER 119 Ca 0.05 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.56 2crm s SER 119 Cb -0.13 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2crm s SER 119 CO -0.07 -1.23 0.13 0.61 0.98 0.00 0.00 173.24 173.66