#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 2.45 0.03 1.61 0.01 -1.26 -5.09 113.70 111.45 2crm s SER 2 Ca 0.00 0.70 0.03 0.00 1.31 0.00 0.00 55.95 57.99 2crm s SER 2 Cb 0.00 -1.05 -0.02 0.00 0.21 0.00 0.00 66.02 65.16 2crm s SER 2 CO 0.00 -3.19 -0.09 -0.44 0.41 0.00 0.00 173.24 169.93 2crm s SER 3 N -4.14 1.03 0.54 2.44 0.01 -1.26 -5.16 113.70 107.16 2crm s SER 3 Ca 0.69 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.59 2crm s SER 3 Cb -0.11 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.13 2crm s SER 3 CO 0.55 -0.06 0.74 -0.83 0.41 0.00 0.00 173.24 174.05 2crm s GLY 4 N -1.03 1.84 0.36 3.44 0.00 -1.26 -5.13 107.32 105.54 2crm s GLY 4 Ca -0.03 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 43.16 2crm s GLY 4 CO 0.00 -1.26 0.05 -1.35 0.00 0.00 0.00 173.10 170.55 2crm s SER 5 N -4.47 2.78 0.10 1.64 1.04 -1.26 -5.17 113.70 108.36 2crm s SER 5 Ca 0.58 -1.42 0.02 0.00 0.48 0.00 0.00 55.95 55.61 2crm s SER 5 Cb -0.09 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 2crm s SER 5 CO 0.38 -0.63 -0.07 -0.94 0.98 0.00 0.00 173.24 172.96 2crm s SER 6 N -3.56 1.16 0.00 7.02 1.04 -1.26 -5.10 113.70 113.00 2crm s SER 6 Ca 0.33 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2crm s SER 6 Cb 0.08 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2crm s SER 6 CO 0.15 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2crm n GLY 7 N -0.01 1.09 3.65 7.32 0.00 -1.26 -5.04 105.19 110.93 2crm n GLY 7 Ca -0.12 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.02 5.32 -0.13 1.61 -7.23 -1.26 -5.07 120.40 113.62 2crm s VAL 8 Ca 0.00 0.27 -0.11 0.00 -1.81 0.00 0.00 61.98 60.33 2crm s VAL 8 Cb 0.00 -3.55 0.04 0.00 0.56 0.00 0.00 36.38 33.43 2crm s VAL 8 CO 0.00 0.30 0.34 -0.69 -0.31 0.00 0.00 175.10 174.75 2crm s VAL 9 N 1.28 -0.00 -0.27 1.32 1.01 -1.26 -5.13 120.40 117.34 2crm s VAL 9 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2crm s VAL 9 Cb -0.14 -0.48 0.08 0.00 0.00 0.00 0.00 36.38 35.83 2crm s VAL 9 CO 0.06 0.01 0.03 -1.61 0.00 0.00 0.00 175.10 173.59 2crm s GLU 10 N 0.34 1.11 -0.11 2.72 0.41 -1.26 -5.01 118.70 116.91 2crm s GLU 10 Ca -0.01 -1.04 -0.07 0.00 -0.41 0.00 0.00 54.97 53.43 2crm s GLU 10 Cb -0.03 -2.38 -0.02 0.00 -1.78 0.00 0.00 34.13 29.91 2crm s GLU 10 CO -0.01 -0.79 -0.14 0.34 -0.49 0.00 0.00 175.26 174.17 2crm n PHE 11 N 4.74 0.75 -1.59 1.61 -0.00 -1.26 -4.82 117.46 116.90 2crm n PHE 11 Ca -0.06 0.33 -0.40 0.00 -0.00 0.00 0.00 57.45 57.32 2crm n PHE 11 Cb 0.44 -0.67 -0.03 0.00 -0.00 0.00 0.00 39.48 39.22 2crm n PHE 11 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 2crm s THR 12 N -2.00 3.01 -0.09 -2.13 2.01 -1.26 -4.85 115.64 110.34 2crm s THR 12 Ca -0.12 0.01 -0.41 0.00 0.31 0.00 0.00 61.69 61.48 2crm s THR 12 Cb 0.02 -3.02 -0.20 0.00 0.01 0.00 0.00 72.50 69.31 2crm s THR 12 CO 0.18 -0.01 1.16 0.35 -0.69 0.00 0.00 174.62 175.60 2crm n THR 13 N 7.86 0.00 -4.93 -0.82 -2.24 -1.26 -4.95 114.28 107.94 2crm n THR 13 Ca 0.33 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.85 2crm n THR 13 Cb 0.49 -0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.48 2crm n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crm n PRO 15 N 2.67 -2.08 -2.99 0.00 -0.04 -1.26 -5.02 135.00 126.27 2crm n PRO 15 Ca -0.15 -0.87 -0.35 0.00 -0.04 0.00 0.00 63.50 62.09 2crm n PRO 15 Cb 0.53 -0.81 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 2crm n PRO 15 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2crm s ASP 16 N -2.97 7.06 0.47 3.54 2.15 -1.26 -4.92 116.67 120.74 2crm s ASP 16 Ca 0.35 1.53 -0.24 0.00 0.43 0.00 0.00 52.55 54.63 2crm s ASP 16 Cb -0.03 -2.47 -0.07 0.00 -0.30 0.00 0.00 42.92 40.05 2crm s ASP 16 CO 0.27 -0.09 1.30 -1.59 -0.17 0.00 0.00 175.17 174.89 2crm s LYS 17 N -2.35 3.60 0.15 4.34 -2.85 -1.26 -2.76 119.74 118.61 2crm s LYS 17 Ca 0.49 2.12 0.20 0.00 -1.00 0.00 0.00 55.97 57.78 2crm s LYS 17 Cb -0.15 -2.49 0.83 0.00 -2.06 0.00 0.00 37.83 33.96 2crm s LYS 17 CO 0.20 -0.79 1.60 -0.35 0.10 0.00 0.00 175.35 176.12 2crm n PRO 18 N -0.46 0.11 -0.70 1.78 -0.04 -1.26 -3.84 135.00 130.60 2crm n PRO 18 Ca 0.07 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2crm n PRO 18 Cb 0.45 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.03 -3.94 3.61 0.55 0.00 -1.26 -4.39 105.19 99.73 2crm n GLY 19 Ca 0.03 -0.79 -0.47 0.00 0.00 0.00 0.00 46.02 44.79 2crm n GLY 19 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2crm n ILE 20 N -0.20 1.10 -1.28 -0.61 -0.00 -1.26 -4.72 119.36 112.39 2crm n ILE 20 Ca 0.00 -0.28 -0.31 0.00 -0.00 0.00 0.00 62.75 62.16 2crm n ILE 20 Cb 0.00 -1.06 0.09 0.00 -0.00 0.00 0.00 39.64 38.67 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 -0.60 2.27 0.21 0.38 0.04 -1.26 -4.74 135.00 131.30 2crm s PRO 21 Ca 0.69 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 2crm s PRO 21 Cb -0.76 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 31.78 2crm s PRO 21 CO 0.53 -1.64 1.47 0.08 0.04 0.00 0.00 177.00 177.48 2crm s VAL 22 N -2.88 2.72 0.13 -0.36 1.01 0.04 -4.79 120.40 116.28 2crm s VAL 22 Ca 0.61 0.57 -0.34 0.00 0.00 0.00 0.00 61.98 62.82 2crm s VAL 22 Cb -0.17 -3.36 -0.17 0.00 0.00 0.00 0.00 36.38 32.68 2crm s VAL 22 CO 0.55 0.07 1.11 1.17 0.00 0.00 0.00 175.10 178.00 2crm n LYS 23 N 2.99 0.84 -2.26 2.72 0.00 -1.26 -3.77 118.16 117.41 2crm n LYS 23 Ca 0.09 0.30 -0.39 0.00 0.00 0.00 0.00 58.31 58.31 2crm n LYS 23 Cb 0.40 -1.77 -0.02 0.00 0.00 0.00 0.00 35.03 33.64 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 -0.25 4.17 0.36 1.64 0.04 -1.26 -4.63 135.00 135.07 2crm s PRO 24 Ca 0.77 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.78 2crm s PRO 24 Cb -0.95 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 2crm s PRO 24 CO 0.53 -0.25 0.08 -1.12 0.04 0.00 0.00 177.00 176.28 2crm s SER 25 N -0.94 2.61 -0.02 6.66 0.01 -1.04 -4.84 113.70 116.14 2crm s SER 25 Ca 0.54 -1.48 -0.11 0.00 1.31 0.00 0.00 55.95 56.21 2crm s SER 25 Cb -0.33 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 2crm s SER 25 CO 0.43 -0.72 0.31 -0.69 0.41 0.00 0.00 173.24 172.98 2crm s VAL 26 N -3.24 5.22 -0.19 3.43 1.01 -1.26 -1.81 120.40 123.55 2crm s VAL 26 Ca 0.31 0.50 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 2crm s VAL 26 Cb 0.06 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.91 2crm s VAL 26 CO 0.14 0.52 -0.02 -0.75 0.00 0.00 0.00 175.10 175.00 2crm s LYS 27 N -1.28 1.18 0.00 2.72 2.20 -1.24 -4.95 119.74 118.37 2crm s LYS 27 Ca 0.23 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2crm s LYS 27 Cb -0.14 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 2crm s LYS 27 CO 0.12 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 2crm n GLY 28 N 4.89 0.54 3.61 5.54 0.00 -1.26 -4.78 105.19 113.73 2crm n GLY 28 Ca -0.11 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 3.32 -0.50 1.61 2.36 -1.26 -5.08 119.74 120.19 2crm s LYS 29 Ca 0.00 -0.44 -0.21 0.00 -2.55 0.00 0.00 55.97 52.76 2crm s LYS 29 Cb 0.00 -2.87 0.04 0.00 -1.05 0.00 0.00 37.83 33.95 2crm s LYS 29 CO 0.00 0.50 0.73 0.42 1.55 0.00 0.00 175.35 178.55 2crm s ILE 30 N -0.32 4.70 0.77 5.43 1.01 -1.26 -4.85 121.20 126.69 2crm s ILE 30 Ca 0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 2crm s ILE 30 Cb -0.12 -4.35 0.20 0.00 0.01 0.00 0.00 42.46 38.20 2crm s ILE 30 CO 0.02 -0.84 0.52 1.41 0.00 0.00 0.00 174.94 176.05 2crm n HIS 31 N 6.61 -3.16 0.51 3.97 8.25 -0.66 -4.72 115.22 126.03 2crm n HIS 31 Ca -0.02 -0.48 -0.20 0.00 -0.26 0.00 0.00 57.72 56.76 2crm n HIS 31 Cb 0.47 -0.67 -0.10 0.00 1.12 0.00 0.00 29.99 30.81 2crm n HIS 31 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2crm h SER 32 N -2.61 -1.11 -1.65 0.41 4.64 -1.97 -3.37 113.55 107.89 2crm h SER 32 Ca -0.22 0.04 -0.50 0.00 -0.47 0.00 0.00 61.79 60.64 2crm h SER 32 Cb 0.72 0.29 -0.41 0.00 -0.31 0.00 0.00 62.40 62.69 2crm h SER 32 CO 0.14 -0.79 -0.95 0.00 -0.87 0.00 0.00 176.83 174.35 2crm n HIS 33 N -5.51 2.17 -3.45 4.77 1.44 -1.26 -4.02 115.22 109.36 2crm n HIS 33 Ca -0.16 -3.38 0.02 0.00 -2.01 0.00 0.00 57.72 52.19 2crm n HIS 33 Cb 0.51 -0.33 -0.05 0.00 0.12 0.00 0.00 29.99 30.24 2crm n HIS 33 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2crm s SER 34 N -3.15 -0.25 -0.18 4.39 1.04 -1.26 -3.68 113.70 110.60 2crm s SER 34 Ca 0.40 0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.98 2crm s SER 34 Cb 0.38 1.21 0.06 0.00 0.10 0.00 0.00 66.02 67.77 2crm s SER 34 CO -0.09 -0.06 0.60 0.72 0.98 0.00 0.00 173.24 175.40 2crm s PHE 35 N 1.72 -0.64 0.16 5.02 -0.12 -1.24 -1.66 117.98 121.23 2crm s PHE 35 Ca -0.04 1.45 -0.07 0.00 -0.05 0.00 0.00 56.93 58.21 2crm s PHE 35 Cb -0.03 0.25 -0.06 0.00 -0.63 0.00 0.00 43.02 42.55 2crm s PHE 35 CO -0.14 -0.38 0.44 0.15 -0.05 0.00 0.00 175.22 175.23 2crm s LYS 36 N -0.08 3.70 -0.05 1.99 1.02 -1.26 -1.46 119.74 123.60 2crm s LYS 36 Ca -0.03 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.03 2crm s LYS 36 Cb -0.04 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2crm s LYS 36 CO 0.03 0.43 -0.03 0.96 -0.92 0.00 0.00 175.35 175.82 2crm s ILE 37 N -1.67 0.46 -0.08 2.17 -4.36 0.44 -3.70 121.20 114.46 2crm s ILE 37 Ca 0.42 -0.02 0.05 0.00 -0.26 0.00 0.00 60.65 60.83 2crm s ILE 37 Cb -0.12 -0.54 -0.00 0.00 1.25 0.00 0.00 42.46 43.05 2crm s ILE 37 CO 0.23 0.23 -0.23 0.28 0.24 0.00 0.00 174.94 175.69 2crm s THR 38 N 1.31 1.91 0.55 8.37 -1.32 -0.75 -2.50 115.64 123.20 2crm s THR 38 Ca -0.05 -0.95 0.03 0.00 -1.21 0.00 0.00 61.69 59.51 2crm s THR 38 Cb -0.13 -1.64 0.03 0.00 -1.51 0.00 0.00 72.50 69.24 2crm s THR 38 CO -0.02 0.53 0.25 -1.66 -2.21 0.00 0.00 174.62 171.51 2crm s TRP 39 N 0.17 1.61 -0.03 9.09 -2.14 -1.26 -2.49 118.94 123.90 2crm s TRP 39 Ca -0.12 -0.93 0.07 0.00 2.66 0.00 0.00 56.10 57.78 2crm s TRP 39 Cb -0.16 -1.77 -0.02 0.00 -3.10 0.00 0.00 33.47 28.42 2crm s TRP 39 CO 0.06 -0.24 -0.22 -0.51 -2.66 0.00 0.00 176.95 173.38 2crm s ASP 40 N -4.15 3.37 0.79 -2.66 1.11 -1.25 -4.92 116.67 108.97 2crm s ASP 40 Ca 0.20 -0.39 -0.11 0.00 0.18 0.00 0.00 52.55 52.44 2crm s ASP 40 Cb -0.01 -0.50 0.07 0.00 1.07 0.00 0.00 42.92 43.54 2crm s ASP 40 CO 0.13 0.33 1.09 -2.16 1.18 0.00 0.00 175.17 175.73 2crm s PRO 41 N -0.68 2.10 -0.82 8.23 0.04 -1.26 -0.78 135.00 141.83 2crm s PRO 41 Ca 0.11 1.12 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 2crm s PRO 41 Cb -0.10 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2crm s PRO 41 CO -0.00 -1.74 1.92 -1.25 0.04 0.00 0.00 177.00 175.98 2crm s PRO 42 N -4.91 2.57 0.30 0.56 0.04 -1.26 -4.65 135.00 127.65 2crm s PRO 42 Ca 0.61 -0.04 0.05 0.00 0.04 0.00 0.00 61.00 61.66 2crm s PRO 42 Cb -0.17 -4.88 0.79 0.00 0.04 0.00 0.00 34.50 30.28 2crm s PRO 42 CO 0.56 -3.20 1.64 0.87 0.04 0.00 0.00 177.00 176.91 2crm h LYS 43 N 12.30 0.21 -1.56 4.56 1.79 -1.93 0.49 116.57 132.42 2crm h LYS 43 Ca -0.00 -0.01 -0.35 0.00 -2.18 0.00 0.00 60.65 58.10 2crm h LYS 43 Cb 1.05 -0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 31.50 2crm h LYS 43 CO 1.21 0.14 0.42 -0.25 -1.08 0.00 0.00 179.45 179.89 2crm n ASP 44 N -5.21 6.51 -4.06 0.86 9.92 -1.26 -4.98 116.55 118.32 2crm n ASP 44 Ca 0.24 -3.10 -0.31 0.00 -0.53 0.00 0.00 54.79 51.08 2crm n ASP 44 Cb 0.75 -1.08 0.11 0.00 -0.64 0.00 0.00 41.12 40.27 2crm n ASP 44 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2crm n ASN 45 N 0.38 -2.66 -1.01 -2.24 6.94 0.17 -4.88 115.26 111.96 2crm n ASN 45 Ca 0.33 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 2crm n ASN 45 Cb 0.58 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 2.67 5.03 0.36 4.83 0.00 -1.25 -5.00 105.19 111.82 2crm n GLY 46 Ca 0.00 -1.90 0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 1.62 -7.36 -0.02 0.00 -1.84 -3.35 103.07 92.12 2crm h GLY 47 Ca 0.00 -0.34 -0.54 0.00 0.00 0.00 0.00 47.33 46.45 2crm h GLY 47 CO 0.00 -0.02 1.12 0.00 0.00 0.00 0.00 176.54 177.64 2crm s ALA 48 N -5.80 2.66 -0.07 3.60 0.00 -1.11 -4.92 121.76 116.11 2crm s ALA 48 Ca -0.11 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 2crm s ALA 48 Cb 0.24 -4.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 2crm s ALA 48 CO 0.80 -3.40 1.21 0.95 0.00 0.00 0.00 175.76 175.32 2crm s THR 49 N 6.18 4.25 0.43 0.00 -4.23 -1.26 -4.29 115.64 116.72 2crm s THR 49 Ca 0.40 1.56 -0.25 0.00 -1.18 0.00 0.00 61.69 62.23 2crm s THR 49 Cb -0.08 -4.01 -0.10 0.00 1.34 0.00 0.00 72.50 69.66 2crm s THR 49 CO 0.14 -0.02 1.24 -0.38 -0.54 0.00 0.00 174.62 175.05 2crm n ILE 50 N 4.74 2.63 0.01 2.99 -0.00 -1.26 -4.64 119.36 123.84 2crm n ILE 50 Ca 0.11 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.36 2crm n ILE 50 Cb 0.46 -1.51 0.00 0.00 -0.00 0.00 0.00 39.64 38.59 2crm n ILE 50 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2crm n ASN 51 N 0.16 0.19 -4.41 4.38 3.02 -1.25 -5.01 115.26 112.34 2crm n ASN 51 Ca 0.07 0.03 -0.30 0.00 -0.03 0.00 0.00 54.58 54.36 2crm n ASN 51 Cb 0.40 -0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.39 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2crm s LYS 52 N -2.00 1.75 -0.43 3.52 2.20 -1.25 -4.81 119.74 118.72 2crm s LYS 52 Ca 0.00 -1.16 0.03 0.00 -0.36 0.00 0.00 55.97 54.48 2crm s LYS 52 Cb 0.00 -2.03 0.12 0.00 -1.51 0.00 0.00 37.83 34.41 2crm s LYS 52 CO 0.00 0.50 0.18 0.71 -0.36 0.00 0.00 175.35 176.38 2crm s TYR 53 N -0.97 2.93 0.20 4.03 2.02 -0.95 -1.59 117.35 123.02 2crm s TYR 53 Ca 0.14 -2.82 -0.10 0.00 -0.37 0.00 0.00 57.07 53.92 2crm s TYR 53 Cb -0.10 -2.54 -0.07 0.00 -0.40 0.00 0.00 41.96 38.85 2crm s TYR 53 CO 0.05 -0.82 0.53 0.08 -1.57 0.00 0.00 175.55 173.82 2crm s VAL 54 N 0.37 4.95 0.02 0.71 1.01 -1.14 -4.01 120.40 122.30 2crm s VAL 54 Ca 0.15 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.70 2crm s VAL 54 Cb -0.23 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2crm s VAL 54 CO -0.05 0.01 -0.23 -0.69 0.00 0.00 0.00 175.10 174.14 2crm s VAL 55 N -1.72 1.86 -0.22 2.92 1.01 -1.17 -2.23 120.40 120.85 2crm s VAL 55 Ca 0.44 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2crm s VAL 55 Cb -0.12 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.72 2crm s VAL 55 CO 0.21 0.38 -0.14 -1.61 0.00 0.00 0.00 175.10 173.93 2crm s GLU 56 N -0.94 2.50 -0.08 2.72 0.41 0.35 -2.39 118.70 121.28 2crm s GLU 56 Ca 0.09 -1.08 0.02 0.00 -0.41 0.00 0.00 54.97 53.58 2crm s GLU 56 Cb -0.09 -2.71 -0.03 0.00 -1.78 0.00 0.00 34.13 29.53 2crm s GLU 56 CO 0.01 -0.41 -0.11 1.41 -0.49 0.00 0.00 175.26 175.67 2crm s MET 57 N 1.21 2.81 0.22 1.61 -2.45 -1.25 -0.93 119.30 120.52 2crm s MET 57 Ca -0.03 -0.63 0.08 0.00 -1.25 0.00 0.00 55.69 53.86 2crm s MET 57 Cb -0.17 -2.53 -0.04 0.00 1.25 0.00 0.00 34.83 33.34 2crm s MET 57 CO -0.09 0.54 0.03 0.00 1.05 0.00 0.00 175.02 176.56 2crm s ALA 58 N -0.51 3.24 -0.56 4.11 0.00 0.74 -3.94 121.76 124.85 2crm s ALA 58 Ca 0.07 -1.49 -0.27 0.00 0.00 0.00 0.00 51.96 50.27 2crm s ALA 58 Cb -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2crm s ALA 58 CO 0.02 0.36 1.80 -2.00 0.00 0.00 0.00 175.76 175.94 2crm s GLU 59 N -3.37 2.81 1.10 0.00 2.12 -1.26 -3.31 118.70 116.81 2crm s GLU 59 Ca 0.30 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.34 2crm s GLU 59 Cb -0.08 -4.33 0.00 0.00 0.26 0.00 0.00 34.13 29.98 2crm s GLU 59 CO 0.20 -2.51 0.00 0.41 -0.54 0.00 0.00 175.26 172.82 2crm n GLY 60 N 5.61 -1.32 0.33 -1.50 0.00 -1.18 -4.33 105.19 102.80 2crm n GLY 60 Ca 0.20 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 2crm n GLY 60 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2crm h SER 61 N -0.63 -0.77 -3.40 1.61 4.64 -1.86 -3.35 113.55 109.79 2crm h SER 61 Ca 0.01 0.04 -0.53 0.00 -0.47 0.00 0.00 61.79 60.84 2crm h SER 61 Cb 0.62 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 2crm h SER 61 CO 0.00 -0.48 0.43 0.20 -0.87 0.00 0.00 176.83 176.11 2crm s ASN 62 N -3.33 7.30 0.00 4.97 0.01 -1.26 -4.91 114.94 117.72 2crm s ASN 62 Ca -0.12 1.84 0.00 0.00 -0.71 0.00 0.00 52.86 53.87 2crm s ASN 62 Cb 0.02 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2crm s ASN 62 CO 0.37 -0.27 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 2crm n GLY 63 N 2.73 3.35 2.04 0.66 0.00 -1.26 -4.77 105.19 107.94 2crm n GLY 63 Ca 0.06 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 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 6.29 -4.13 1.61 3.02 -1.26 -4.59 115.26 116.20 2crm n ASN 64 Ca 0.00 -3.01 -0.38 0.00 -0.03 0.00 0.00 54.58 51.16 2crm n ASN 64 Cb 0.00 -1.14 -0.08 0.00 -0.61 0.00 0.00 39.78 37.95 2crm n ASN 64 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2crm s LYS 65 N -1.42 2.90 -0.16 3.52 -0.14 -1.26 -5.05 119.74 118.12 2crm s LYS 65 Ca 0.39 -2.71 -0.03 0.00 -1.36 0.00 0.00 55.97 52.26 2crm s LYS 65 Cb 0.27 -3.89 -0.02 0.00 -1.68 0.00 0.00 37.83 32.51 2crm s LYS 65 CO -0.07 -1.21 -0.05 -1.58 -0.76 0.00 0.00 175.35 171.68 2crm s TRP 66 N -0.36 2.97 -0.03 3.18 0.52 -1.26 -4.01 118.94 119.96 2crm s TRP 66 Ca 0.20 -0.47 -0.12 0.00 0.02 0.00 0.00 56.10 55.73 2crm s TRP 66 Cb -0.16 -1.97 0.02 0.00 -1.15 0.00 0.00 33.47 30.21 2crm s TRP 66 CO -0.06 -0.17 0.26 -2.00 0.02 0.00 0.00 176.95 175.00 2crm s GLU 67 N 0.59 0.55 0.06 4.98 2.12 -1.25 -4.99 118.70 120.76 2crm s GLU 67 Ca -0.04 -0.13 -0.36 0.00 0.36 0.00 0.00 54.97 54.81 2crm s GLU 67 Cb -0.15 0.24 -0.15 0.00 0.26 0.00 0.00 34.13 34.33 2crm s GLU 67 CO 0.03 -0.13 1.51 -0.12 -0.54 0.00 0.00 175.26 176.00 2crm n MET 68 N 1.67 1.59 -0.02 4.30 0.00 -1.26 -3.88 117.12 119.51 2crm n MET 68 Ca -0.20 0.58 -0.02 0.00 -0.00 0.00 0.00 57.70 58.05 2crm n MET 68 Cb 0.56 -2.28 -0.04 0.00 0.00 0.00 0.00 33.22 31.46 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 3.26 0.33 -3.84 1.12 -5.35 -1.01 -5.01 119.36 108.87 2crm n ILE 69 Ca 0.19 -0.21 -0.10 0.00 -0.27 0.00 0.00 62.75 62.36 2crm n ILE 69 Cb 0.23 -0.85 -0.08 0.00 -1.74 0.00 0.00 39.64 37.20 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 -2.12 0.05 -0.16 4.28 5.04 -1.26 -5.04 117.35 118.14 2crm s TYR 70 Ca -0.02 -0.29 -0.22 0.00 -2.44 0.00 0.00 57.07 54.09 2crm s TYR 70 Cb 0.02 -0.02 0.06 0.00 0.35 0.00 0.00 41.96 42.36 2crm s TYR 70 CO 0.20 -0.45 0.58 0.45 -1.34 0.00 0.00 175.55 174.99 2crm s SER 71 N -2.19 -0.58 0.00 4.32 0.15 -1.26 -3.02 113.70 111.12 2crm s SER 71 Ca -0.04 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2crm s SER 71 Cb -0.00 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2crm s SER 71 CO -0.05 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2crm n GLY 72 N 2.18 -0.10 1.29 9.45 0.00 -1.26 -5.01 105.19 111.74 2crm n GLY 72 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.40 3.00 -1.13 4.61 0.00 -1.26 -2.25 120.51 123.09 2crm n ALA 73 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2crm n ALA 73 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.36 0.29 0.13 0.00 -1.04 -1.26 -4.85 114.28 104.18 2crm n THR 74 Ca 0.00 -0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.73 2crm n THR 74 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 2crm n THR 74 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2crm h ARG 75 N 2.00 0.44 -5.94 -2.82 3.08 -1.91 -3.40 114.38 105.82 2crm h ARG 75 Ca -0.36 -0.74 -0.60 0.00 0.07 0.00 0.00 59.98 58.35 2crm h ARG 75 Cb 1.09 0.28 -0.08 0.00 0.08 0.00 0.00 29.97 31.33 2crm h ARG 75 CO 0.48 1.35 1.72 -1.21 -1.07 0.00 0.00 179.97 181.25 2crm s GLU 76 N -2.62 3.63 0.17 0.04 2.02 -1.26 -3.95 118.70 116.74 2crm s GLU 76 Ca -0.07 -1.44 0.04 0.00 0.02 0.00 0.00 54.97 53.52 2crm s GLU 76 Cb 0.05 -5.41 -0.04 0.00 0.10 0.00 0.00 34.13 28.84 2crm s GLU 76 CO 0.92 -2.41 0.23 -1.58 0.02 0.00 0.00 175.26 172.45 2crm s HIS 77 N 5.34 3.33 -0.26 1.61 5.65 -1.04 -4.88 115.29 125.04 2crm s HIS 77 Ca 0.52 0.03 -0.07 0.00 0.25 0.00 0.00 55.06 55.80 2crm s HIS 77 Cb 0.01 -1.58 -0.01 0.00 -1.18 0.00 0.00 32.58 29.82 2crm s HIS 77 CO -0.01 0.51 0.06 -1.17 -0.65 0.00 0.00 174.74 173.48 2crm s LEU 78 N -3.33 3.52 -0.93 8.88 2.96 -1.26 -0.42 118.68 128.10 2crm s LEU 78 Ca 0.33 -0.44 -0.17 0.00 -0.22 0.00 0.00 54.13 53.63 2crm s LEU 78 Cb -0.10 -1.88 0.16 0.00 0.50 0.00 0.00 46.19 44.87 2crm s LEU 78 CO 0.26 -0.10 1.06 0.00 -1.32 0.00 0.00 176.35 176.26 2crm s ASP 80 N 3.16 4.18 -0.78 0.00 2.15 -1.26 -3.65 116.67 120.47 2crm s ASP 80 Ca 0.30 0.02 -0.01 0.00 0.43 0.00 0.00 52.55 53.29 2crm s ASP 80 Cb -0.06 -0.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.16 2crm s ASP 80 CO -0.09 -1.99 0.66 0.54 -0.17 0.00 0.00 175.17 174.12 2crm n ARG 81 N -3.08 -4.36 -3.94 4.34 1.74 -1.25 -5.01 116.66 105.10 2crm n ARG 81 Ca 0.13 0.54 -0.23 0.00 -0.77 0.00 0.00 57.85 57.52 2crm n ARG 81 Cb 0.60 -4.64 -0.05 0.00 -1.02 0.00 0.00 32.46 27.34 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 -4.81 3.30 -0.22 0.55 1.43 -1.24 -5.09 118.68 112.60 2crm s LEU 82 Ca 0.06 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2crm s LEU 82 Cb -0.03 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2crm s LEU 82 CO 0.46 -0.44 0.02 0.20 0.23 0.00 0.00 176.35 176.82 2crm s ASN 83 N -3.94 4.89 0.73 2.29 -0.87 -1.26 -4.67 114.94 112.10 2crm s ASN 83 Ca 0.41 -0.21 -0.12 0.00 -1.57 0.00 0.00 52.86 51.37 2crm s ASN 83 Cb -0.02 -1.85 0.04 0.00 -0.02 0.00 0.00 41.25 39.40 2crm s ASN 83 CO 0.24 0.03 1.10 -2.16 -2.57 0.00 0.00 177.10 173.74 2crm s PRO 84 N 1.20 2.45 -1.43 -0.60 0.04 -1.26 -3.76 135.00 131.63 2crm s PRO 84 Ca 0.03 1.25 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 2crm s PRO 84 Cb -0.14 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.52 2crm s PRO 84 CO 0.02 -1.51 1.09 0.41 0.04 0.00 0.00 177.00 177.05 2crm n GLY 85 N -0.95 -0.52 3.49 0.56 0.00 0.24 -4.81 105.19 103.20 2crm n GLY 85 Ca 0.10 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.93 1.70 -0.22 0.00 0.40 -1.26 -1.99 117.98 112.68 2crm s PHE 87 Ca 0.14 -0.21 -0.28 0.00 -0.60 0.00 0.00 56.93 55.98 2crm s PHE 87 Cb 0.00 -3.03 0.14 0.00 0.51 0.00 0.00 43.02 40.64 2crm s PHE 87 CO 0.01 -1.70 1.08 0.71 0.70 0.00 0.00 175.22 176.02 2crm s TYR 88 N -3.16 -0.34 -0.15 0.36 2.02 -1.21 -3.09 117.35 111.79 2crm s TYR 88 Ca 0.66 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 58.05 2crm s TYR 88 Cb -0.06 0.43 0.02 0.00 -0.40 0.00 0.00 41.96 41.96 2crm s TYR 88 CO 0.44 -0.26 -0.14 1.03 -1.57 0.00 0.00 175.55 175.06 2crm s ARG 89 N -0.64 2.28 0.09 -0.62 0.52 -1.21 -2.93 118.95 116.45 2crm s ARG 89 Ca 0.01 -0.57 0.10 0.00 -0.52 0.00 0.00 55.73 54.75 2crm s ARG 89 Cb -0.02 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2crm s ARG 89 CO -0.03 -0.25 -0.26 -0.51 0.02 0.00 0.00 175.30 174.28 2crm s LEU 90 N 1.48 2.30 -0.04 2.53 1.02 -1.10 -0.18 118.68 124.69 2crm s LEU 90 Ca 0.05 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.51 2crm s LEU 90 Cb -0.13 -1.28 0.03 0.00 0.02 0.00 0.00 46.19 44.84 2crm s LEU 90 CO -0.11 0.21 0.08 -0.13 0.02 0.00 0.00 176.35 176.43 2crm s ARG 91 N -1.74 0.00 -0.13 1.70 0.52 -0.11 0.31 118.95 119.51 2crm s ARG 91 Ca 0.13 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.61 2crm s ARG 91 Cb -0.10 -0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 2crm s ARG 91 CO 0.05 -0.20 0.02 0.08 0.02 0.00 0.00 175.30 175.27 2crm s VAL 92 N 1.35 4.42 0.08 3.52 1.01 -1.26 -0.49 120.40 129.02 2crm s VAL 92 Ca -0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2crm s VAL 92 Cb -0.12 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2crm s VAL 92 CO -0.04 0.54 -0.02 -0.72 0.00 0.00 0.00 175.10 174.85 2crm s TYR 93 N -0.21 0.67 0.14 5.22 -0.85 -0.95 -3.39 117.35 117.98 2crm s TYR 93 Ca 0.06 -1.07 0.03 0.00 -0.52 0.00 0.00 57.07 55.57 2crm s TYR 93 Cb -0.12 -0.44 -0.04 0.00 0.38 0.00 0.00 41.96 41.74 2crm s TYR 93 CO 0.02 -0.36 0.25 0.00 -1.52 0.00 0.00 175.55 173.95 2crm s ILE 95 N -1.71 1.88 0.53 0.00 1.01 -0.62 -2.41 121.20 119.87 2crm s ILE 95 Ca 0.34 -3.11 -0.00 0.00 0.00 0.00 0.00 60.65 57.87 2crm s ILE 95 Cb -0.11 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.09 2crm s ILE 95 CO 0.28 -0.94 0.77 -0.94 0.00 0.00 0.00 174.94 174.11 2crm s SER 96 N -0.22 5.47 -0.42 3.58 1.04 -0.32 -3.78 113.70 119.05 2crm s SER 96 Ca 0.21 0.21 -0.41 0.00 0.48 0.00 0.00 55.95 56.43 2crm s SER 96 Cb -0.17 -1.21 -0.18 0.00 0.10 0.00 0.00 66.02 64.55 2crm s SER 96 CO -0.06 -1.01 1.39 -0.67 0.98 0.00 0.00 173.24 173.87 2crm n ASP 97 N -2.32 1.01 0.00 7.02 2.03 -1.26 -1.15 116.55 121.88 2crm n ASP 97 Ca 0.05 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.42 2crm n ASP 97 Cb 0.59 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 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 3.41 2.94 0.00 0.27 0.00 -1.26 -4.97 105.19 105.58 2crm n GLY 98 Ca 0.27 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.39 3.33 -0.02 0.00 -0.30 -5.18 105.19 104.41 2crm n GLY 99 Ca 0.00 0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 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 4.52 1.37 0.26 1.61 0.00 -1.26 -1.17 119.66 124.98 2crm s GLN 100 Ca 0.00 -1.71 0.06 0.00 -0.00 0.00 0.00 55.36 53.70 2crm s GLN 100 Cb 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 33.01 32.51 2crm s GLN 100 CO 0.00 -0.18 0.35 0.45 0.00 0.00 0.00 175.29 175.91 2crm s SER 101 N -3.31 6.10 0.40 12.60 0.15 -1.01 -4.97 113.70 123.66 2crm s SER 101 Ca 0.32 -0.04 -0.15 0.00 0.70 0.00 0.00 55.95 56.77 2crm s SER 101 Cb 0.07 -1.66 -0.13 0.00 -1.71 0.00 0.00 66.02 62.59 2crm s SER 101 CO 0.11 -0.13 -0.07 0.00 1.20 0.00 0.00 173.24 174.35 2crm n ALA 102 N -1.41 -2.79 -2.11 5.45 0.00 -1.26 -4.65 120.51 113.75 2crm n ALA 102 Ca -0.07 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2crm n ALA 102 Cb 0.57 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.62 3.83 0.55 0.00 -7.23 -1.26 -4.74 120.40 109.93 2crm s VAL 103 Ca 0.48 1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 62.01 2crm s VAL 103 Cb -0.44 -3.98 -0.05 0.00 0.56 0.00 0.00 36.38 32.47 2crm s VAL 103 CO 0.55 0.25 1.08 -0.94 -0.31 0.00 0.00 175.10 175.72 2crm s SER 104 N 0.07 5.86 0.45 4.85 1.04 -1.22 -4.94 113.70 119.81 2crm s SER 104 Ca 0.51 1.97 -0.13 0.00 0.48 0.00 0.00 55.95 58.78 2crm s SER 104 Cb -0.30 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 63.15 2crm s SER 104 CO 0.35 -1.12 -0.20 -0.62 0.98 0.00 0.00 173.24 172.63 2crm n GLU 105 N -1.54 0.00 -2.72 4.02 4.71 -1.26 -4.51 120.64 119.33 2crm n GLU 105 Ca 0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.84 2crm n GLU 105 Cb 0.52 -0.75 -0.05 0.00 -1.01 0.00 0.00 31.44 30.15 2crm n GLU 105 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2crm s SER 106 N -0.75 7.57 -0.23 1.62 1.04 -1.26 -4.59 113.70 117.11 2crm s SER 106 Ca 0.40 1.91 -0.20 0.00 0.48 0.00 0.00 55.95 58.55 2crm s SER 106 Cb -0.32 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.17 2crm s SER 106 CO 0.52 0.06 0.59 -0.22 0.98 0.00 0.00 173.24 175.16 2crm s LEU 107 N -0.74 4.10 -0.81 2.42 0.20 0.15 -4.83 118.68 119.16 2crm s LEU 107 Ca 0.44 0.71 -0.17 0.00 0.69 0.00 0.00 54.13 55.79 2crm s LEU 107 Cb -0.25 -2.80 0.15 0.00 -0.43 0.00 0.00 46.19 42.86 2crm s LEU 107 CO 0.32 -0.29 0.92 -0.22 -0.29 0.00 0.00 176.35 176.79 2crm s LEU 108 N 2.11 5.64 -0.25 -0.68 2.96 -1.26 -2.71 118.68 124.49 2crm s LEU 108 Ca 0.26 -2.07 0.01 0.00 -0.22 0.00 0.00 54.13 52.10 2crm s LEU 108 Cb -0.16 -2.32 0.05 0.00 0.50 0.00 0.00 46.19 44.26 2crm s LEU 108 CO 0.09 -0.94 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.40 2crm s VAL 109 N 1.95 2.43 -0.26 1.68 1.01 -1.15 -4.99 120.40 121.06 2crm s VAL 109 Ca 0.23 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 2crm s VAL 109 Cb -0.11 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2crm s VAL 109 CO -0.05 0.07 0.19 0.00 0.00 0.00 0.00 175.10 175.32 2crm s GLN 110 N 1.19 4.00 0.32 2.72 -2.07 -1.26 -3.28 119.66 121.29 2crm s GLN 110 Ca -0.05 -0.27 -0.27 0.00 -1.82 0.00 0.00 55.36 52.96 2crm s GLN 110 Cb -0.18 -3.61 -0.10 0.00 -1.09 0.00 0.00 33.01 28.03 2crm s GLN 110 CO -0.05 -0.10 0.98 0.95 -1.32 0.00 0.00 175.29 175.75 2crm s THR 111 N 1.52 4.03 0.30 3.63 -4.23 -0.84 -4.94 115.64 115.11 2crm s THR 111 Ca 0.08 1.73 -0.29 0.00 -1.18 0.00 0.00 61.69 62.03 2crm s THR 111 Cb -0.15 -3.99 -0.10 0.00 1.34 0.00 0.00 72.50 69.61 2crm s THR 111 CO 0.09 0.19 1.24 -2.16 -0.54 0.00 0.00 174.62 173.43 2crm s PRO 112 N -1.96 4.46 -0.23 3.99 0.04 -1.26 -0.59 135.00 139.44 2crm s PRO 112 Ca 0.50 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 63.36 2crm s PRO 112 Cb -0.22 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 2crm s PRO 112 CO 0.27 -0.06 0.78 0.00 0.04 0.00 0.00 177.00 178.03 2crm s ALA 113 N -1.00 3.61 0.33 8.56 0.00 -1.26 -3.06 121.76 128.95 2crm s ALA 113 Ca 0.48 -0.18 -0.27 0.00 0.00 0.00 0.00 51.96 51.99 2crm s ALA 113 Cb -0.37 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 2crm s ALA 113 CO 0.47 -0.83 1.11 0.14 0.00 0.00 0.00 175.76 176.65 2crm s VAL 114 N 2.60 3.43 -0.91 0.00 -7.23 -1.26 -4.91 120.40 112.11 2crm s VAL 114 Ca 0.33 1.32 -0.25 0.00 -1.81 0.00 0.00 61.98 61.57 2crm s VAL 114 Cb -0.16 -3.79 -0.07 0.00 0.56 0.00 0.00 36.38 32.93 2crm s VAL 114 CO 0.08 0.22 2.02 -0.44 -0.31 0.00 0.00 175.10 176.68 2crm s SER 115 N -1.05 4.89 0.00 4.85 0.01 -1.26 -4.72 113.70 116.43 2crm s SER 115 Ca 0.50 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2crm s SER 115 Cb -0.30 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.37 2crm s SER 115 CO 0.38 -3.00 0.00 0.61 0.41 0.00 0.00 173.24 171.64 2crm n GLY 116 N 6.74 -1.28 3.77 3.44 0.00 -1.26 -4.98 105.19 111.62 2crm n GLY 116 Ca 0.42 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 4.03 0.05 1.61 0.04 -1.26 -4.97 135.00 134.50 2crm s PRO 117 Ca 0.00 1.88 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 2crm s PRO 117 Cb 0.00 -2.68 -0.17 0.00 0.04 0.00 0.00 34.50 31.69 2crm s PRO 117 CO 0.00 -0.35 1.53 0.77 0.04 0.00 0.00 177.00 178.99 2crm h SER 118 N 2.62 -0.16 -2.52 6.66 0.02 -1.93 -3.42 113.55 114.81 2crm h SER 118 Ca -0.49 -0.13 -0.53 0.00 -0.84 0.00 0.00 61.79 59.80 2crm h SER 118 Cb 1.24 0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.84 2crm h SER 118 CO 0.62 0.04 1.12 -0.44 -1.14 0.00 0.00 176.83 177.03 2crm s SER 119 N -5.17 6.50 0.00 3.07 0.01 -1.26 -5.16 113.70 111.69 2crm s SER 119 Ca -0.14 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.72 2crm s SER 119 Cb 0.04 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2crm s SER 119 CO 0.64 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.91