#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 -1.32 -0.05 1.61 0.01 -1.26 -5.15 113.70 107.54 2crm s SER 2 Ca 0.00 0.82 0.02 0.00 1.31 0.00 0.00 55.95 58.11 2crm s SER 2 Cb 0.00 2.11 0.01 0.00 0.21 0.00 0.00 66.02 68.35 2crm s SER 2 CO 0.00 -0.25 -0.10 -0.94 0.41 0.00 0.00 173.24 172.36 2crm s SER 3 N 2.87 1.47 -0.30 2.44 1.04 -1.26 -5.11 113.70 114.85 2crm s SER 3 Ca 0.19 -0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.21 2crm s SER 3 Cb -0.15 -0.59 0.18 0.00 0.10 0.00 0.00 66.02 65.57 2crm s SER 3 CO -0.20 0.04 1.20 -0.83 0.98 0.00 0.00 173.24 174.42 2crm s GLY 4 N 0.52 -0.05 0.11 7.32 0.00 -1.26 -5.18 107.32 108.78 2crm s GLY 4 Ca -0.10 3.19 -0.14 0.00 0.00 0.00 0.00 44.72 47.67 2crm s GLY 4 CO 0.02 3.77 0.35 -0.45 0.00 0.00 0.00 173.10 176.78 2crm s SER 5 N 2.73 -0.15 -0.53 1.64 0.15 -1.26 -5.12 113.70 111.16 2crm s SER 5 Ca -0.05 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 56.19 2crm s SER 5 Cb -0.07 0.44 0.14 0.00 -1.71 0.00 0.00 66.02 64.82 2crm s SER 5 CO -0.10 -0.81 0.33 -0.44 1.20 0.00 0.00 173.24 173.42 2crm s SER 6 N -2.76 5.22 0.00 5.45 0.01 -1.26 -4.83 113.70 115.53 2crm s SER 6 Ca 0.03 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 54.78 2crm s SER 6 Cb 0.02 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2crm s SER 6 CO -0.11 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2crm n GLY 7 N 3.95 -0.83 3.64 3.44 0.00 -1.26 -5.14 105.19 108.98 2crm n GLY 7 Ca 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.49 2crm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s VAL 8 N -0.10 0.00 0.04 1.61 0.11 -1.26 -5.16 120.40 115.64 2crm s VAL 8 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 2crm s VAL 8 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 2crm s VAL 8 CO 0.00 0.00 0.43 0.68 -3.33 0.00 0.00 175.10 172.88 2crm s VAL 9 N 1.08 5.00 -0.30 2.04 -7.23 -1.26 -5.07 120.40 114.66 2crm s VAL 9 Ca -0.06 0.78 -0.06 0.00 -1.81 0.00 0.00 61.98 60.83 2crm s VAL 9 Cb -0.04 -3.71 0.02 0.00 0.56 0.00 0.00 36.38 33.21 2crm s VAL 9 CO -0.13 0.48 0.07 -1.61 -0.31 0.00 0.00 175.10 173.60 2crm s GLU 10 N -1.36 2.94 0.19 4.82 2.02 -1.26 -5.07 118.70 120.98 2crm s GLU 10 Ca 0.28 -0.95 -0.33 0.00 0.02 0.00 0.00 54.97 53.98 2crm s GLU 10 Cb -0.16 -3.36 -0.13 0.00 0.10 0.00 0.00 34.13 30.58 2crm s GLU 10 CO 0.15 -0.50 1.61 1.97 0.02 0.00 0.00 175.26 178.51 2crm n PHE 11 N 4.83 2.44 -0.12 1.61 -1.74 -1.26 -4.92 117.46 118.30 2crm n PHE 11 Ca -0.14 0.21 -0.24 0.00 -0.56 0.00 0.00 57.45 56.72 2crm n PHE 11 Cb 0.47 -2.58 -0.09 0.00 1.52 0.00 0.00 39.48 38.80 2crm n PHE 11 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2crm n THR 12 N 3.38 1.52 -3.90 1.97 -2.24 -1.26 -4.96 114.28 108.80 2crm n THR 12 Ca 0.16 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 2crm n THR 12 Cb 0.31 -2.00 -0.06 0.00 -2.10 0.00 0.00 70.33 66.48 2crm n THR 12 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2crm n THR 13 N -4.33 -0.00 -4.27 4.28 -2.24 -1.26 -4.88 114.28 101.58 2crm n THR 13 Ca -0.43 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.09 2crm n THR 13 Cb 0.77 -0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 2crm n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crm s PRO 15 N -2.87 -1.43 0.39 0.00 0.04 -1.26 -5.03 135.00 124.85 2crm s PRO 15 Ca 0.26 -0.15 -0.18 0.00 0.04 0.00 0.00 61.00 60.97 2crm s PRO 15 Cb -0.09 -1.58 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 2crm s PRO 15 CO 0.16 -3.83 0.86 -0.51 0.04 0.00 0.00 177.00 173.72 2crm s ASP 16 N -3.96 6.84 0.48 6.66 1.11 -1.26 -5.01 116.67 121.53 2crm s ASP 16 Ca 0.72 1.50 -0.24 0.00 0.18 0.00 0.00 52.55 54.71 2crm s ASP 16 Cb -0.08 -2.46 -0.07 0.00 1.07 0.00 0.00 42.92 41.37 2crm s ASP 16 CO 0.56 -0.32 1.35 -0.54 1.18 0.00 0.00 175.17 177.40 2crm s LYS 17 N -3.19 3.51 0.00 8.23 3.01 -1.26 -3.50 119.74 126.54 2crm s LYS 17 Ca 0.58 2.22 0.14 0.00 -1.01 0.00 0.00 55.97 57.90 2crm s LYS 17 Cb -0.10 -2.47 0.84 0.00 -1.01 0.00 0.00 37.83 35.09 2crm s LYS 17 CO 0.17 -0.89 1.26 -0.35 0.51 0.00 0.00 175.35 176.04 2crm n PRO 18 N -0.53 0.49 0.00 -1.68 -0.04 -1.26 -4.34 135.00 127.64 2crm n PRO 18 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2crm n PRO 18 Cb 0.44 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.41 3.72 0.55 0.00 -1.26 -4.58 105.19 101.18 2crm n GLY 19 Ca 0.11 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.92 5.09 0.22 -0.61 1.01 -1.26 -4.84 121.20 117.89 2crm s ILE 20 Ca 0.00 1.30 -0.30 0.00 0.00 0.00 0.00 60.65 61.66 2crm s ILE 20 Cb 0.00 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 2crm s ILE 20 CO 0.00 0.27 1.28 -2.16 0.00 0.00 0.00 174.94 174.34 2crm s PRO 21 N 0.76 4.41 0.17 2.79 0.04 -1.26 -4.75 135.00 137.16 2crm s PRO 21 Ca 0.34 2.04 -0.33 0.00 0.04 0.00 0.00 61.00 63.09 2crm s PRO 21 Cb -0.17 -3.18 -0.15 0.00 0.04 0.00 0.00 34.50 31.04 2crm s PRO 21 CO 0.16 -0.19 1.35 0.28 0.04 0.00 0.00 177.00 178.63 2crm n VAL 22 N 2.23 0.55 -1.50 -0.36 0.31 -0.92 -4.69 118.33 113.95 2crm n VAL 22 Ca 0.04 -0.14 -0.48 0.00 -0.01 0.00 0.00 64.34 63.75 2crm n VAL 22 Cb 0.43 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.18 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 2.31 0.66 -2.22 5.55 0.00 -1.26 -3.90 118.16 119.29 2crm n LYS 23 Ca 0.15 0.23 -0.41 0.00 0.00 0.00 0.00 58.31 58.28 2crm n LYS 23 Cb 0.26 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.76 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 -0.93 4.39 0.41 1.64 0.04 -1.26 -4.56 135.00 134.73 2crm s PRO 24 Ca 0.67 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.83 2crm s PRO 24 Cb -0.88 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.39 2crm s PRO 24 CO 0.56 -0.26 0.08 -1.12 0.04 0.00 0.00 177.00 176.30 2crm s SER 25 N 0.41 4.10 0.30 6.66 0.01 -1.14 -4.90 113.70 119.15 2crm s SER 25 Ca 0.57 -1.25 -0.24 0.00 1.31 0.00 0.00 55.95 56.34 2crm s SER 25 Cb -0.36 -0.43 -0.10 0.00 0.21 0.00 0.00 66.02 65.34 2crm s SER 25 CO 0.37 -0.49 0.89 -0.69 0.41 0.00 0.00 173.24 173.73 2crm s VAL 26 N -2.67 4.32 -0.24 3.43 1.01 -1.26 -2.50 120.40 122.48 2crm s VAL 26 Ca 0.37 1.66 -0.01 0.00 0.00 0.00 0.00 61.98 64.00 2crm s VAL 26 Cb 0.08 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2crm s VAL 26 CO 0.20 0.13 -0.07 -0.75 0.00 0.00 0.00 175.10 174.60 2crm s LYS 27 N -2.11 2.81 7.31 2.72 2.47 -1.00 -4.89 119.74 127.05 2crm s LYS 27 Ca 0.49 -0.99 0.00 0.00 -1.56 0.00 0.00 55.97 53.91 2crm s LYS 27 Cb -0.17 -2.95 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 2crm s LYS 27 CO 0.22 -0.40 0.00 0.41 0.16 0.00 0.00 175.35 175.75 2crm n GLY 28 N 4.65 2.01 3.62 5.54 0.00 -1.26 -4.63 105.19 115.12 2crm n GLY 28 Ca -0.17 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 2.28 -0.46 1.61 2.20 -1.26 -5.10 119.74 119.01 2crm s LYS 29 Ca 0.00 -1.06 -0.12 0.00 -0.36 0.00 0.00 55.97 54.43 2crm s LYS 29 Cb 0.00 -2.34 0.09 0.00 -1.51 0.00 0.00 37.83 34.07 2crm s LYS 29 CO 0.00 0.48 0.35 0.42 -0.36 0.00 0.00 175.35 176.24 2crm s ILE 30 N -1.48 4.68 1.11 5.43 1.01 -1.26 -4.78 121.20 125.91 2crm s ILE 30 Ca 0.25 -1.37 -0.19 0.00 0.00 0.00 0.00 60.65 59.34 2crm s ILE 30 Cb -0.10 -3.90 0.29 0.00 0.01 0.00 0.00 42.46 38.76 2crm s ILE 30 CO 0.16 -0.63 0.74 1.41 0.00 0.00 0.00 174.94 176.62 2crm n HIS 31 N 5.05 -3.51 0.04 3.97 8.25 -1.17 -4.73 115.22 123.12 2crm n HIS 31 Ca -0.11 -0.69 -0.06 0.00 -0.26 0.00 0.00 57.72 56.60 2crm n HIS 31 Cb 0.42 -0.97 -0.04 0.00 1.12 0.00 0.00 29.99 30.53 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 -3.05 -0.59 -1.75 0.41 4.64 -1.98 -3.36 113.55 107.87 2crm h SER 32 Ca -0.32 0.06 -0.48 0.00 -0.47 0.00 0.00 61.79 60.59 2crm h SER 32 Cb 1.04 0.22 -0.40 0.00 -0.31 0.00 0.00 62.40 62.94 2crm h SER 32 CO 0.19 -0.20 -1.07 0.00 -0.87 0.00 0.00 176.83 174.88 2crm n HIS 33 N -3.55 1.35 -3.15 4.77 1.44 -1.26 -4.12 115.22 110.69 2crm n HIS 33 Ca -0.03 -3.52 0.05 0.00 -2.01 0.00 0.00 57.72 52.21 2crm n HIS 33 Cb 0.15 -0.39 -0.01 0.00 0.12 0.00 0.00 29.99 29.86 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 -2.88 -0.54 -0.01 4.39 1.04 -1.26 -3.43 113.70 111.02 2crm s SER 34 Ca 0.39 0.20 -0.03 0.00 0.48 0.00 0.00 55.95 56.99 2crm s SER 34 Cb 0.37 1.40 -0.00 0.00 0.10 0.00 0.00 66.02 67.89 2crm s SER 34 CO -0.07 -0.10 0.06 0.72 0.98 0.00 0.00 173.24 174.83 2crm s PHE 35 N 2.94 0.03 -0.18 5.02 -0.12 -1.15 -3.04 117.98 121.48 2crm s PHE 35 Ca 0.12 -0.05 -0.13 0.00 -0.05 0.00 0.00 56.93 56.82 2crm s PHE 35 Cb -0.07 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.23 2crm s PHE 35 CO -0.17 -0.12 0.25 0.15 -0.05 0.00 0.00 175.22 175.28 2crm s LYS 36 N -0.61 4.23 -0.12 1.99 1.02 -1.26 -0.62 119.74 124.37 2crm s LYS 36 Ca -0.07 -0.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.92 2crm s LYS 36 Cb -0.04 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 2crm s LYS 36 CO 0.00 0.22 -0.12 0.96 -0.92 0.00 0.00 175.35 175.50 2crm s ILE 37 N 0.54 3.19 -0.09 2.17 -4.36 -0.10 -2.38 121.20 120.18 2crm s ILE 37 Ca 0.14 -0.62 0.02 0.00 -0.26 0.00 0.00 60.65 59.93 2crm s ILE 37 Cb -0.13 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.26 2crm s ILE 37 CO 0.03 0.53 -0.15 0.28 0.24 0.00 0.00 174.94 175.87 2crm s THR 38 N 0.17 1.39 0.01 8.37 -1.32 -1.04 -1.30 115.64 121.91 2crm s THR 38 Ca -0.06 -0.60 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 2crm s THR 38 Cb -0.15 -1.27 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 2crm s THR 38 CO 0.05 0.42 0.08 -1.66 -2.21 0.00 0.00 174.62 171.29 2crm s TRP 39 N 0.81 3.26 0.25 9.09 -2.14 0.03 -2.90 118.94 127.35 2crm s TRP 39 Ca -0.11 0.18 -0.23 0.00 2.66 0.00 0.00 56.10 58.60 2crm s TRP 39 Cb -0.16 -1.71 -0.09 0.00 -3.10 0.00 0.00 33.47 28.41 2crm s TRP 39 CO 0.02 0.54 0.82 0.34 -2.66 0.00 0.00 176.95 176.01 2crm s ASP 40 N -1.86 7.25 0.88 -2.66 2.15 -1.25 -4.81 116.67 116.36 2crm s ASP 40 Ca 0.24 1.63 -0.11 0.00 0.43 0.00 0.00 52.55 54.74 2crm s ASP 40 Cb -0.12 -2.50 0.12 0.00 -0.30 0.00 0.00 42.92 40.12 2crm s ASP 40 CO 0.15 0.04 1.09 -2.16 -0.17 0.00 0.00 175.17 174.13 2crm s PRO 41 N -1.81 1.40 0.34 4.34 0.04 -1.26 -2.15 135.00 135.90 2crm s PRO 41 Ca 0.44 0.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 2crm s PRO 41 Cb -0.19 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 2crm s PRO 41 CO 0.23 -2.16 1.21 -1.25 0.04 0.00 0.00 177.00 175.08 2crm s PRO 42 N -4.93 4.34 0.17 0.56 0.04 -1.26 -4.63 135.00 129.29 2crm s PRO 42 Ca 0.63 2.00 -0.22 0.00 0.04 0.00 0.00 61.00 63.46 2crm s PRO 42 Cb -0.18 -2.99 0.07 0.00 0.04 0.00 0.00 34.50 31.44 2crm s PRO 42 CO 0.57 -0.13 1.36 1.63 0.04 0.00 0.00 177.00 180.47 2crm n LYS 43 N 0.68 -0.30 -3.66 4.56 5.02 -1.26 -4.44 118.16 118.76 2crm n LYS 43 Ca 0.01 1.34 -0.08 0.00 -2.02 0.00 0.00 58.31 57.56 2crm n LYS 43 Cb 0.44 -1.97 -0.09 0.00 -0.02 0.00 0.00 35.03 33.39 2crm n LYS 43 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2crm s ASP 44 N -5.38 -0.51 -0.64 4.39 2.15 -1.26 -5.09 116.67 110.32 2crm s ASP 44 Ca -0.11 1.11 -0.26 0.00 0.43 0.00 0.00 52.55 53.72 2crm s ASP 44 Cb 0.14 1.38 -0.11 0.00 -0.30 0.00 0.00 42.92 44.02 2crm s ASP 44 CO 0.58 -0.22 2.43 -0.46 -0.17 0.00 0.00 175.17 177.33 2crm n ASN 45 N 5.06 1.87 0.00 -0.34 0.23 -1.26 -4.87 115.26 115.94 2crm n ASN 45 Ca -0.13 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 2crm n ASN 45 Cb 0.51 -1.53 0.00 0.00 -2.08 0.00 0.00 39.78 36.69 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 6.29 -0.06 0.08 4.83 0.00 -1.26 -4.55 105.19 110.52 2crm n GLY 46 Ca 0.44 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.02 -0.08 3.88 -0.02 0.00 -1.26 -5.02 105.19 102.67 2crm n GLY 47 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.12 3.31 -0.21 4.61 0.00 -1.23 -4.93 121.76 121.19 2crm s ALA 48 Ca -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.63 2crm s ALA 48 Cb 0.02 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.41 2crm s ALA 48 CO 0.14 -0.24 -0.16 0.99 0.00 0.00 0.00 175.76 176.49 2crm s THR 49 N -2.63 2.26 0.56 0.00 2.01 -1.26 -4.73 115.64 111.85 2crm s THR 49 Ca 0.51 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 2crm s THR 49 Cb -0.10 -2.06 -0.07 0.00 0.01 0.00 0.00 72.50 70.28 2crm s THR 49 CO 0.39 0.38 0.87 -0.38 -0.69 0.00 0.00 174.62 175.19 2crm n ILE 50 N 4.60 3.12 0.00 1.82 -0.00 -1.26 -4.68 119.36 122.96 2crm n ILE 50 Ca -0.19 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.06 2crm n ILE 50 Cb 0.48 -1.04 0.00 0.00 -0.00 0.00 0.00 39.64 39.08 2crm n ILE 50 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2crm n ASN 51 N -0.22 1.51 -4.07 4.38 0.23 -1.07 -5.02 115.26 111.00 2crm n ASN 51 Ca 0.12 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.99 2crm n ASN 51 Cb 0.46 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.02 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2crm s LYS 52 N -1.87 0.78 -0.40 -3.83 2.20 -1.26 -4.84 119.74 110.53 2crm s LYS 52 Ca 0.00 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.04 2crm s LYS 52 Cb 0.00 -0.74 0.11 0.00 -1.51 0.00 0.00 37.83 35.68 2crm s LYS 52 CO 0.00 0.19 0.18 0.71 -0.36 0.00 0.00 175.35 176.07 2crm s TYR 53 N -0.62 3.61 0.19 4.03 2.02 -1.15 -2.43 117.35 123.01 2crm s TYR 53 Ca 0.01 -2.49 -0.08 0.00 -0.37 0.00 0.00 57.07 54.14 2crm s TYR 53 Cb -0.06 -3.15 -0.07 0.00 -0.40 0.00 0.00 41.96 38.28 2crm s TYR 53 CO 0.00 -0.97 0.48 0.08 -1.57 0.00 0.00 175.55 173.57 2crm s VAL 54 N 1.11 5.03 0.01 0.71 1.01 -1.17 -3.99 120.40 123.10 2crm s VAL 54 Ca 0.08 0.29 0.07 0.00 0.00 0.00 0.00 61.98 62.42 2crm s VAL 54 Cb -0.22 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2crm s VAL 54 CO -0.05 -0.02 -0.21 -0.69 0.00 0.00 0.00 175.10 174.13 2crm s VAL 55 N -1.75 1.66 0.00 2.92 1.01 -0.42 -2.76 120.40 121.07 2crm s VAL 55 Ca 0.45 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2crm s VAL 55 Cb -0.12 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2crm s VAL 55 CO 0.23 0.37 -0.17 -1.61 0.00 0.00 0.00 175.10 173.92 2crm s GLU 56 N -0.74 1.35 0.21 2.72 2.02 -0.01 -1.94 118.70 122.30 2crm s GLU 56 Ca 0.08 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.45 2crm s GLU 56 Cb -0.08 -1.33 -0.05 0.00 0.10 0.00 0.00 34.13 32.77 2crm s GLU 56 CO 0.00 0.36 -0.11 1.41 0.02 0.00 0.00 175.26 176.94 2crm s MET 57 N -0.61 1.32 0.15 1.61 1.75 -1.26 0.24 119.30 122.50 2crm s MET 57 Ca 0.06 -1.60 0.02 0.00 -1.25 0.00 0.00 55.69 52.92 2crm s MET 57 Cb -0.07 -0.99 -0.04 0.00 2.84 0.00 0.00 34.83 36.57 2crm s MET 57 CO -0.00 0.12 -0.03 0.00 -0.65 0.00 0.00 175.02 174.46 2crm s ALA 58 N -3.08 1.24 -0.45 4.11 0.00 0.19 -3.10 121.76 120.66 2crm s ALA 58 Ca 0.23 -1.51 -0.27 0.00 0.00 0.00 0.00 51.96 50.41 2crm s ALA 58 Cb 0.01 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 2crm s ALA 58 CO 0.07 -0.28 1.90 -2.00 0.00 0.00 0.00 175.76 175.45 2crm s GLU 59 N -3.88 2.93 0.65 0.00 2.12 -1.25 -3.10 118.70 116.16 2crm s GLU 59 Ca 0.20 1.14 0.00 0.00 0.36 0.00 0.00 54.97 56.67 2crm s GLU 59 Cb 0.06 -4.32 0.00 0.00 0.26 0.00 0.00 34.13 30.13 2crm s GLU 59 CO 0.01 -2.35 0.00 0.41 -0.54 0.00 0.00 175.26 172.79 2crm n GLY 60 N 5.60 2.47 3.51 -1.50 0.00 -1.20 -3.85 105.19 110.22 2crm n GLY 60 Ca 0.24 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.00 3.96 -1.44 1.61 0.15 -1.26 -2.18 113.70 110.53 2crm s SER 61 Ca 0.00 -0.63 -0.07 0.00 0.70 0.00 0.00 55.95 55.95 2crm s SER 61 Cb 0.00 -0.56 0.05 0.00 -1.71 0.00 0.00 66.02 63.79 2crm s SER 61 CO 0.00 0.13 0.77 0.59 1.20 0.00 0.00 173.24 175.93 2crm n ASN 62 N 0.36 -2.55 -0.09 5.45 3.02 -1.26 -4.89 115.26 115.29 2crm n ASN 62 Ca -0.13 -0.85 -0.12 0.00 -0.03 0.00 0.00 54.58 53.45 2crm n ASN 62 Cb 0.55 -3.71 -0.11 0.00 -0.61 0.00 0.00 39.78 35.89 2crm n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2crm n GLY 63 N -1.68 -0.49 3.70 7.41 0.00 -1.25 -5.01 105.19 107.87 2crm n GLY 63 Ca -0.14 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.90 -5.05 -3.55 1.61 4.13 -1.26 -4.91 115.26 103.33 2crm n ASN 64 Ca -0.32 -0.65 -0.28 0.00 1.68 0.00 0.00 54.58 55.00 2crm n ASN 64 Cb 0.94 -4.57 -0.11 0.00 -1.54 0.00 0.00 39.78 34.50 2crm n ASN 64 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2crm s LYS 65 N -6.31 1.17 -0.13 3.52 -0.14 -1.26 -5.07 119.74 111.53 2crm s LYS 65 Ca 0.52 -2.15 -0.08 0.00 -1.36 0.00 0.00 55.97 52.90 2crm s LYS 65 Cb -0.24 -1.91 -0.04 0.00 -1.68 0.00 0.00 37.83 33.96 2crm s LYS 65 CO 0.77 -1.29 0.17 -1.58 -0.76 0.00 0.00 175.35 172.65 2crm s TRP 66 N 0.06 3.57 -0.23 3.18 0.52 -1.26 -3.93 118.94 120.85 2crm s TRP 66 Ca 0.26 0.54 -0.12 0.00 0.02 0.00 0.00 56.10 56.80 2crm s TRP 66 Cb -0.08 -2.02 0.08 0.00 -1.15 0.00 0.00 33.47 30.30 2crm s TRP 66 CO -0.11 0.63 0.55 -2.00 0.02 0.00 0.00 176.95 176.04 2crm s GLU 67 N -0.73 0.53 -0.06 4.98 2.12 -1.18 -4.98 118.70 119.38 2crm s GLU 67 Ca 0.15 1.08 -0.33 0.00 0.36 0.00 0.00 54.97 56.23 2crm s GLU 67 Cb -0.12 0.21 -0.16 0.00 0.26 0.00 0.00 34.13 34.32 2crm s GLU 67 CO 0.04 -0.17 0.92 -0.12 -0.54 0.00 0.00 175.26 175.39 2crm n MET 68 N 4.60 0.00 -0.03 4.30 0.00 -1.26 -4.03 117.12 120.71 2crm n MET 68 Ca -0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 57.70 57.48 2crm n MET 68 Cb 0.55 -1.21 -0.03 0.00 0.00 0.00 0.00 33.22 32.54 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 1.50 0.32 -3.79 1.12 -5.35 -0.82 -4.97 119.36 107.37 2crm n ILE 69 Ca 0.17 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.40 2crm n ILE 69 Cb 0.05 -0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 37.13 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 -2.11 -0.19 -0.17 4.28 6.14 -1.23 -5.04 117.35 119.03 2crm s TYR 70 Ca -0.07 0.41 -0.22 0.00 0.64 0.00 0.00 57.07 57.83 2crm s TYR 70 Cb 0.02 0.07 0.06 0.00 0.42 0.00 0.00 41.96 42.53 2crm s TYR 70 CO 0.13 -0.25 0.58 -1.54 0.64 0.00 0.00 175.55 175.12 2crm s SER 71 N -0.61 -0.58 0.00 4.32 1.04 -1.26 -1.30 113.70 115.30 2crm s SER 71 Ca -0.07 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2crm s SER 71 Cb -0.04 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.06 2crm s SER 71 CO 0.02 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2crm n GLY 72 N 2.22 -0.71 2.66 7.32 0.00 -1.26 -5.03 105.19 110.40 2crm n GLY 72 Ca -0.16 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 4.54 -3.64 4.61 0.00 -1.26 -2.91 120.51 121.85 2crm n ALA 73 Ca 0.00 -4.75 -0.08 0.00 0.00 0.00 0.00 53.44 48.61 2crm n ALA 73 Cb 0.00 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.29 0.00 -0.11 0.00 2.01 -1.26 -5.03 115.64 107.96 2crm s THR 74 Ca 0.42 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 2crm s THR 74 Cb 0.18 -1.00 0.08 0.00 0.01 0.00 0.00 72.50 71.78 2crm s THR 74 CO -0.05 0.00 1.87 -2.11 -0.69 0.00 0.00 174.62 173.64 2crm n ARG 75 N 2.84 1.28 -3.61 4.92 1.85 -1.26 -4.69 116.66 117.99 2crm n ARG 75 Ca -0.15 -0.55 -0.09 0.00 -1.00 0.00 0.00 57.85 56.06 2crm n ARG 75 Cb 0.56 -1.22 -0.06 0.00 -1.05 0.00 0.00 32.46 30.70 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 -0.64 0.49 0.06 2.89 -1.05 -1.26 -0.79 118.70 118.41 2crm s GLU 76 Ca 0.11 0.30 -0.08 0.00 -0.15 0.00 0.00 54.97 55.15 2crm s GLU 76 Cb 0.09 0.23 -0.00 0.00 -0.44 0.00 0.00 34.13 34.01 2crm s GLU 76 CO 0.00 -0.12 0.18 -3.38 0.95 0.00 0.00 175.26 172.89 2crm s HIS 77 N -0.52 0.13 -0.46 4.83 -3.43 -0.42 -4.98 115.29 110.44 2crm s HIS 77 Ca 0.01 -0.47 -0.17 0.00 -0.80 0.00 0.00 55.06 53.63 2crm s HIS 77 Cb -0.03 -0.07 0.05 0.00 -1.43 0.00 0.00 32.58 31.11 2crm s HIS 77 CO -0.03 -0.48 0.45 -1.17 -2.00 0.00 0.00 174.74 171.51 2crm s LEU 78 N -2.51 5.18 -1.00 5.38 2.96 -1.26 -0.92 118.68 126.51 2crm s LEU 78 Ca 0.00 -0.99 -0.23 0.00 -0.22 0.00 0.00 54.13 52.69 2crm s LEU 78 Cb 0.02 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.43 2crm s LEU 78 CO -0.08 -0.67 1.60 0.00 -1.32 0.00 0.00 176.35 175.89 2crm s ASP 80 N 5.76 5.58 -0.94 0.00 2.15 -1.26 -2.94 116.67 125.03 2crm s ASP 80 Ca 0.53 -0.42 -0.03 0.00 0.43 0.00 0.00 52.55 53.06 2crm s ASP 80 Cb -0.02 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 2crm s ASP 80 CO -0.07 -0.84 0.80 0.54 -0.17 0.00 0.00 175.17 175.43 2crm n ARG 81 N -1.92 -5.34 -3.46 4.34 5.12 -1.22 -4.99 116.66 109.18 2crm n ARG 81 Ca 0.09 0.62 -0.23 0.00 -1.93 0.00 0.00 57.85 56.39 2crm n ARG 81 Cb 0.59 -4.98 0.03 0.00 -1.16 0.00 0.00 32.46 26.94 2crm n ARG 81 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2crm n LEU 82 N -3.54 0.00 -4.29 0.55 4.77 -1.22 -5.10 117.00 108.17 2crm n LEU 82 Ca -0.11 -2.69 -0.33 0.00 -0.03 0.00 0.00 56.01 52.85 2crm n LEU 82 Cb 0.59 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 41.33 2crm n LEU 82 CO 0.46 -0.63 -0.48 0.20 -1.33 0.00 0.00 177.39 175.61 2crm s ASN 83 N -4.34 3.69 0.61 -1.43 0.01 -1.26 -4.72 114.94 107.51 2crm s ASN 83 Ca 0.43 -0.44 -0.17 0.00 -0.71 0.00 0.00 52.86 51.97 2crm s ASN 83 Cb -0.03 -1.56 -0.02 0.00 0.41 0.00 0.00 41.25 40.05 2crm s ASN 83 CO 0.27 0.12 1.12 -2.16 -1.51 0.00 0.00 177.10 174.94 2crm s PRO 84 N 0.62 3.01 -1.31 -0.60 0.04 -1.26 -3.77 135.00 131.73 2crm s PRO 84 Ca -0.09 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 62.38 2crm s PRO 84 Cb -0.16 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.42 2crm s PRO 84 CO 0.03 -1.10 1.02 0.41 0.04 0.00 0.00 177.00 177.40 2crm n GLY 85 N -0.27 -0.43 3.45 0.56 0.00 0.11 -4.70 105.19 103.91 2crm n GLY 85 Ca 0.11 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.90 2.49 -0.30 0.00 0.08 -1.26 -2.01 117.98 113.09 2crm s PHE 87 Ca 0.11 -0.19 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 2crm s PHE 87 Cb 0.01 -2.68 0.16 0.00 -0.57 0.00 0.00 43.02 39.93 2crm s PHE 87 CO -0.03 -0.97 0.98 0.71 -0.10 0.00 0.00 175.22 175.82 2crm s TYR 88 N -2.75 -0.63 -0.19 0.36 2.02 -1.25 -3.26 117.35 111.65 2crm s TYR 88 Ca 0.59 1.16 -0.16 0.00 -0.37 0.00 0.00 57.07 58.29 2crm s TYR 88 Cb -0.09 0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.81 2crm s TYR 88 CO 0.39 -0.31 0.41 1.03 -1.57 0.00 0.00 175.55 175.49 2crm s ARG 89 N 1.99 4.20 0.14 -0.62 1.81 -0.93 -3.41 118.95 122.13 2crm s ARG 89 Ca -0.05 0.23 0.10 0.00 -1.72 0.00 0.00 55.73 54.29 2crm s ARG 89 Cb -0.05 -3.52 -0.04 0.00 -0.45 0.00 0.00 34.95 30.89 2crm s ARG 89 CO -0.16 -0.00 -0.23 -0.51 -0.68 0.00 0.00 175.30 173.71 2crm s LEU 90 N 1.20 2.35 -0.11 2.53 1.02 -1.06 0.56 118.68 125.18 2crm s LEU 90 Ca 0.20 -0.77 -0.06 0.00 0.02 0.00 0.00 54.13 53.52 2crm s LEU 90 Cb -0.15 -1.04 0.05 0.00 0.02 0.00 0.00 46.19 45.07 2crm s LEU 90 CO 0.08 0.10 0.26 0.00 0.02 0.00 0.00 176.35 176.80 2crm s ARG 91 N -2.23 0.22 -0.04 1.70 1.70 0.14 -0.51 118.95 119.93 2crm s ARG 91 Ca 0.13 0.53 0.02 0.00 -0.47 0.00 0.00 55.73 55.94 2crm s ARG 91 Cb -0.09 -0.10 -0.03 0.00 -0.57 0.00 0.00 34.95 34.16 2crm s ARG 91 CO 0.06 -0.15 -0.08 0.08 -1.08 0.00 0.00 175.30 174.13 2crm s VAL 92 N 1.19 3.63 0.03 4.99 1.01 -1.26 -0.83 120.40 129.15 2crm s VAL 92 Ca -0.09 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 2crm s VAL 92 Cb -0.10 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 2crm s VAL 92 CO -0.08 0.53 0.15 -0.72 0.00 0.00 0.00 175.10 174.98 2crm s TYR 93 N -0.86 0.11 0.16 5.22 -0.85 -1.11 -1.58 117.35 118.43 2crm s TYR 93 Ca 0.14 -0.34 0.03 0.00 -0.52 0.00 0.00 57.07 56.38 2crm s TYR 93 Cb -0.11 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 2crm s TYR 93 CO 0.03 -0.39 0.26 0.00 -1.52 0.00 0.00 175.55 173.94 2crm s ILE 95 N -1.76 2.30 -0.08 0.00 1.01 -1.02 -2.73 121.20 118.92 2crm s ILE 95 Ca 0.34 -1.67 0.05 0.00 0.00 0.00 0.00 60.65 59.37 2crm s ILE 95 Cb -0.11 -2.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 2crm s ILE 95 CO 0.28 -0.09 -0.24 -0.44 0.00 0.00 0.00 174.94 174.45 2crm s SER 96 N 1.11 2.99 -1.45 3.58 0.01 0.72 -2.59 113.70 118.07 2crm s SER 96 Ca -0.07 -0.52 -0.10 0.00 1.31 0.00 0.00 55.95 56.57 2crm s SER 96 Cb -0.20 -1.07 0.04 0.00 0.21 0.00 0.00 66.02 65.00 2crm s SER 96 CO -0.05 0.20 1.01 -0.67 0.41 0.00 0.00 173.24 174.14 2crm n ASP 97 N 3.23 -5.66 0.00 2.44 2.03 -1.26 -1.64 116.55 115.70 2crm n ASP 97 Ca -0.18 -0.59 0.00 0.00 0.52 0.00 0.00 54.79 54.53 2crm n ASP 97 Cb 0.52 -4.49 0.00 0.00 -0.72 0.00 0.00 41.12 36.43 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 -1.80 1.66 3.89 0.27 0.00 -1.26 -4.95 105.19 103.00 2crm n GLY 98 Ca 0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.14 2.25 0.20 -0.02 0.00 -0.65 -5.02 107.32 103.95 2crm s GLY 99 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 44.72 44.20 2crm s GLY 99 CO 0.00 -0.43 0.26 -0.86 0.00 0.00 0.00 173.10 172.07 2crm s GLN 100 N -2.11 3.23 0.54 2.90 0.00 -1.26 -0.20 119.66 122.76 2crm s GLN 100 Ca 0.33 -0.79 0.04 0.00 -0.00 0.00 0.00 55.36 54.93 2crm s GLN 100 Cb -0.13 -2.80 0.04 0.00 0.00 0.00 0.00 33.01 30.13 2crm s GLN 100 CO 0.20 0.46 0.75 -1.54 0.00 0.00 0.00 175.29 175.16 2crm s SER 101 N -3.56 5.24 -0.06 12.60 1.04 -1.11 -4.94 113.70 122.91 2crm s SER 101 Ca 0.33 -0.24 -0.40 0.00 0.48 0.00 0.00 55.95 56.12 2crm s SER 101 Cb -0.10 -0.60 -0.19 0.00 0.10 0.00 0.00 66.02 65.24 2crm s SER 101 CO 0.27 -1.15 1.24 0.00 0.98 0.00 0.00 173.24 174.58 2crm n ALA 102 N -2.27 -2.54 -0.73 5.32 0.00 -1.26 -4.66 120.51 114.37 2crm n ALA 102 Ca 0.10 0.56 -0.28 0.00 0.00 0.00 0.00 53.44 53.81 2crm n ALA 102 Cb 0.60 -1.88 0.23 0.00 0.00 0.00 0.00 19.45 18.40 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 0.71 2.02 0.30 0.00 -7.23 -1.26 -4.70 120.40 110.23 2crm s VAL 103 Ca 0.92 0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 61.07 2crm s VAL 103 Cb -1.22 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 2crm s VAL 103 CO 0.58 -0.01 0.54 -0.94 -0.31 0.00 0.00 175.10 174.97 2crm s SER 104 N -2.80 6.39 0.98 4.85 1.04 -0.62 -4.95 113.70 118.59 2crm s SER 104 Ca 0.68 0.61 -0.16 0.00 0.48 0.00 0.00 55.95 57.56 2crm s SER 104 Cb -0.23 -2.10 -0.05 0.00 0.10 0.00 0.00 66.02 63.74 2crm s SER 104 CO 0.63 -0.22 -0.21 -0.62 0.98 0.00 0.00 173.24 173.79 2crm n GLU 105 N -1.20 -0.23 -2.65 4.02 4.71 -1.26 -4.42 120.64 119.60 2crm n GLU 105 Ca -0.03 -0.05 -0.40 0.00 -0.01 0.00 0.00 57.16 56.68 2crm n GLU 105 Cb 0.55 -1.45 -0.05 0.00 -1.01 0.00 0.00 31.44 29.47 2crm n GLU 105 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2crm s SER 106 N -1.54 7.46 -0.25 1.62 0.01 -1.26 -4.55 113.70 115.20 2crm s SER 106 Ca 0.49 2.05 -0.09 0.00 1.31 0.00 0.00 55.95 59.71 2crm s SER 106 Cb -0.18 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 2crm s SER 106 CO 0.74 0.01 0.12 -0.22 0.41 0.00 0.00 173.24 174.30 2crm s LEU 107 N -1.41 3.77 -0.43 2.44 2.96 0.34 -4.83 118.68 121.53 2crm s LEU 107 Ca 0.44 -0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 54.12 2crm s LEU 107 Cb -0.27 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.43 2crm s LEU 107 CO 0.34 -0.00 0.41 -0.22 -1.32 0.00 0.00 176.35 175.56 2crm s LEU 108 N 1.44 5.00 -0.22 -0.68 2.96 -1.26 -2.55 118.68 123.37 2crm s LEU 108 Ca 0.06 -0.80 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2crm s LEU 108 Cb -0.15 -2.31 0.04 0.00 0.50 0.00 0.00 46.19 44.27 2crm s LEU 108 CO 0.06 -0.57 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.69 2crm s VAL 109 N 2.00 2.02 -0.43 1.68 1.01 -1.22 -4.99 120.40 120.48 2crm s VAL 109 Ca 0.10 -1.28 -0.22 0.00 0.00 0.00 0.00 61.98 60.58 2crm s VAL 109 Cb -0.18 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2crm s VAL 109 CO 0.12 0.20 0.71 -1.58 0.00 0.00 0.00 175.10 174.55 2crm s GLN 110 N 1.22 3.42 0.34 2.72 -0.44 -1.26 -3.74 119.66 121.93 2crm s GLN 110 Ca -0.03 -0.15 -0.26 0.00 -2.50 0.00 0.00 55.36 52.42 2crm s GLN 110 Cb -0.17 -3.92 -0.09 0.00 -1.64 0.00 0.00 33.01 27.19 2crm s GLN 110 CO -0.08 -1.00 1.01 0.95 0.50 0.00 0.00 175.29 176.67 2crm s THR 111 N 3.02 3.87 0.01 -0.34 -4.23 -0.85 -4.92 115.64 112.21 2crm s THR 111 Ca 0.26 1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 62.05 2crm s THR 111 Cb -0.13 -3.89 -0.06 0.00 1.34 0.00 0.00 72.50 69.76 2crm s THR 111 CO 0.20 0.15 1.44 -2.16 -0.54 0.00 0.00 174.62 173.70 2crm s PRO 112 N -2.07 4.27 -0.21 3.99 0.04 -1.26 0.05 135.00 139.81 2crm s PRO 112 Ca 0.52 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2crm s PRO 112 Cb -0.23 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2crm s PRO 112 CO 0.29 -0.59 1.15 0.00 0.04 0.00 0.00 177.00 177.89 2crm s ALA 113 N 2.38 3.64 1.17 8.56 0.00 -1.26 -3.17 121.76 133.09 2crm s ALA 113 Ca 0.65 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.73 2crm s ALA 113 Cb -0.33 -3.60 0.22 0.00 0.00 0.00 0.00 23.12 19.41 2crm s ALA 113 CO 0.27 -1.18 0.56 1.33 0.00 0.00 0.00 175.76 176.74 2crm n VAL 114 N 5.44 0.00 -3.89 0.00 0.24 -1.26 -4.88 118.33 113.97 2crm n VAL 114 Ca 0.13 -0.41 -0.30 0.00 -2.04 0.00 0.00 64.34 61.72 2crm n VAL 114 Cb 0.46 -0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 31.85 2crm n VAL 114 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2crm s SER 115 N -2.14 4.41 0.65 -1.34 0.01 -1.26 -5.07 113.70 108.95 2crm s SER 115 Ca 0.63 -1.89 -0.17 0.00 1.31 0.00 0.00 55.95 55.83 2crm s SER 115 Cb -0.20 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.72 2crm s SER 115 CO 0.66 -0.39 0.78 0.61 0.41 0.00 0.00 173.24 175.31 2crm n GLY 116 N 4.53 -0.86 3.63 3.44 0.00 -1.26 -4.98 105.19 109.70 2crm n GLY 116 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.74 -0.43 0.05 1.61 0.04 -1.26 -5.04 135.00 127.23 2crm s PRO 117 Ca 0.72 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2crm s PRO 117 Cb -0.39 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2crm s PRO 117 CO 0.51 -3.24 0.00 0.43 0.04 0.00 0.00 177.00 174.74 2crm n SER 118 N -4.48 0.50 -4.26 6.66 7.64 -1.26 -4.98 113.62 113.44 2crm n SER 118 Ca 0.09 0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.64 2crm n SER 118 Cb 0.58 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.53 2crm n SER 118 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crm s SER 119 N -5.45 5.60 0.00 6.43 0.15 -1.26 -5.37 113.70 113.79 2crm s SER 119 Ca 0.00 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.14 2crm s SER 119 Cb 0.00 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2crm s SER 119 CO 0.00 -0.53 0.37 0.61 1.20 0.00 0.00 173.24 174.89