#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrc n VAL 2 N 0.00 -0.29 -3.37 5.18 0.31 -1.26 -4.69 118.33 114.22 1mrc n VAL 2 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 1mrc n VAL 2 Cb 0.00 -0.40 -0.06 0.00 -0.91 0.00 0.00 33.84 32.47 1mrc n VAL 2 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1mrc s VAL 3 N 0.00 5.08 -0.22 2.52 -7.23 -1.26 -4.86 120.40 114.43 1mrc s VAL 3 Ca 0.00 0.94 -0.08 0.00 -1.81 0.00 0.00 61.98 61.03 1mrc s VAL 3 Cb 0.00 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1mrc s VAL 3 CO 0.00 0.43 0.10 -0.04 -0.31 0.00 0.00 175.10 175.28 1mrc s MET 4 N -0.12 3.89 -0.03 4.82 -1.94 -1.26 -1.18 119.30 123.49 1mrc s MET 4 Ca 0.25 -0.37 0.08 0.00 -1.71 0.00 0.00 55.69 53.94 1mrc s MET 4 Cb -0.16 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 1mrc s MET 4 CO 0.12 0.04 -0.26 0.95 -0.01 0.00 0.00 175.02 175.87 1mrc s THR 5 N 1.03 2.03 0.12 2.05 -4.23 -0.23 -4.28 115.64 112.13 1mrc s THR 5 Ca 0.05 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1mrc s THR 5 Cb -0.14 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 1mrc s THR 5 CO 0.03 0.57 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.53 1mrc s GLN 6 N -0.51 2.27 -0.15 3.99 -0.21 -1.26 -0.92 119.66 122.87 1mrc s GLN 6 Ca 0.07 -1.03 -0.08 0.00 0.02 0.00 0.00 55.36 54.35 1mrc s GLN 6 Cb -0.11 -2.35 0.06 0.00 1.00 0.00 0.00 33.01 31.61 1mrc s GLN 6 CO -0.00 0.50 0.36 -0.08 -2.12 0.00 0.00 175.29 173.94 1mrc s THR 7 N -1.39 -0.10 0.93 -0.19 -1.32 0.41 -4.56 115.64 109.43 1mrc s THR 7 Ca 0.24 0.12 -0.13 0.00 -1.21 0.00 0.00 61.69 60.71 1mrc s THR 7 Cb -0.11 -0.54 0.20 0.00 -1.51 0.00 0.00 72.50 70.54 1mrc s THR 7 CO 0.16 0.05 1.27 -2.16 -2.21 0.00 0.00 174.62 171.73 1mrc s PRO 8 N 1.51 0.72 -0.01 7.08 0.04 -1.26 -0.16 135.00 142.91 1mrc s PRO 8 Ca -0.08 -0.63 0.14 0.00 0.04 0.00 0.00 61.00 60.46 1mrc s PRO 8 Cb -0.09 -1.94 -0.20 0.00 0.04 0.00 0.00 34.50 32.30 1mrc s PRO 8 CO -0.11 -2.30 0.73 1.25 0.04 0.00 0.00 177.00 176.60 1mrc h LEU 9 N -1.47 0.00 -7.67 -3.56 7.12 -1.81 -3.40 115.31 104.52 1mrc h LEU 9 Ca -0.42 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.26 1mrc h LEU 9 Cb 1.23 0.00 -0.33 0.00 -0.53 0.00 0.00 40.66 41.04 1mrc h LEU 9 CO 0.35 0.88 -0.75 -0.44 -0.13 0.00 0.00 178.44 178.36 1mrc s SER 10 N -6.02 0.42 -0.22 1.25 0.01 -1.26 -1.29 113.70 106.60 1mrc s SER 10 Ca -0.04 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 1mrc s SER 10 Cb 0.08 -0.19 0.07 0.00 0.21 0.00 0.00 66.02 66.19 1mrc s SER 10 CO 0.82 -0.06 0.03 -0.22 0.41 0.00 0.00 173.24 174.22 1mrc s LEU 11 N 0.75 1.48 -0.01 2.44 1.98 0.93 -4.91 118.68 121.34 1mrc s LEU 11 Ca -0.08 -0.98 -0.18 0.00 -2.89 0.00 0.00 54.13 50.00 1mrc s LEU 11 Cb -0.11 -0.70 -0.06 0.00 0.66 0.00 0.00 46.19 45.99 1mrc s LEU 11 CO -0.01 -0.31 0.52 -2.16 -1.89 0.00 0.00 176.35 172.50 1mrc s PRO 12 N 1.77 4.20 -0.22 0.98 0.04 -1.25 -0.06 135.00 140.46 1mrc s PRO 12 Ca -0.00 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 61.46 1mrc s PRO 12 Cb -0.17 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.12 1mrc s PRO 12 CO -0.10 0.47 0.57 0.54 0.04 0.00 0.00 177.00 178.52 1mrc s VAL 13 N -0.47 -0.00 0.56 -0.36 0.11 0.28 -4.91 120.40 115.60 1mrc s VAL 13 Ca 0.28 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.19 1mrc s VAL 13 Cb -0.18 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1mrc s VAL 13 CO 0.15 0.00 1.01 -0.94 -3.33 0.00 0.00 175.10 172.00 1mrc s SER 14 N 0.64 6.38 0.36 3.54 1.04 -1.26 -1.52 113.70 122.88 1mrc s SER 14 Ca -0.03 1.54 -0.28 0.00 0.48 0.00 0.00 55.95 57.66 1mrc s SER 14 Cb -0.05 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.46 1mrc s SER 14 CO -0.04 -0.76 1.48 0.18 0.98 0.00 0.00 173.24 175.07 1mrc n LEU 15 N -2.06 4.57 0.00 2.42 4.77 -1.26 -2.63 117.00 122.80 1mrc n LEU 15 Ca 0.07 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1mrc n LEU 15 Cb 0.54 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1mrc n LEU 15 CO 0.51 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1mrc n GLY 16 N 0.70 1.69 3.96 -0.72 0.00 0.08 -4.92 105.19 105.98 1mrc n GLY 16 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1mrc n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mrc s ASP 17 N -3.23 5.03 0.18 1.61 1.11 -1.08 -4.57 116.67 115.72 1mrc s ASP 17 Ca 0.00 0.08 -0.05 0.00 0.18 0.00 0.00 52.55 52.76 1mrc s ASP 17 Cb 0.00 -0.84 -0.06 0.00 1.07 0.00 0.00 42.92 43.09 1mrc s ASP 17 CO 0.00 -1.36 0.42 -1.10 1.18 0.00 0.00 175.17 174.31 1mrc s GLN 18 N -4.95 3.64 -0.01 8.23 -0.21 -1.24 -0.52 119.66 124.60 1mrc s GLN 18 Ca 0.59 -0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.94 1mrc s GLN 18 Cb -0.10 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.12 1mrc s GLN 18 CO 0.41 0.41 -0.05 0.00 -2.12 0.00 0.00 175.29 173.94 1mrc s ALA 19 N -1.75 0.48 -0.07 6.09 0.00 -0.21 -4.94 121.76 121.36 1mrc s ALA 19 Ca 0.42 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1mrc s ALA 19 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1mrc s ALA 19 CO 0.25 0.08 -0.18 -1.12 0.00 0.00 0.00 175.76 174.79 1mrc s SER 20 N 0.09 2.36 -0.11 0.00 0.01 -1.26 -0.42 113.70 114.38 1mrc s SER 20 Ca -0.01 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.86 1mrc s SER 20 Cb -0.05 -0.95 0.01 0.00 0.21 0.00 0.00 66.02 65.25 1mrc s SER 20 CO -0.00 0.12 -0.16 -0.63 0.41 0.00 0.00 173.24 172.97 1mrc s ILE 21 N 0.34 1.58 -0.07 1.44 1.01 -0.26 -4.71 121.20 120.54 1mrc s ILE 21 Ca -0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 1mrc s ILE 21 Cb -0.15 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1mrc s ILE 21 CO 0.05 0.46 0.04 -0.44 0.00 0.00 0.00 174.94 175.05 1mrc s SER 22 N 0.95 5.49 -0.05 3.58 0.01 0.77 -1.07 113.70 123.39 1mrc s SER 22 Ca -0.07 0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.37 1mrc s SER 22 Cb -0.15 -1.58 0.03 0.00 0.21 0.00 0.00 66.02 64.52 1mrc s SER 22 CO -0.01 0.35 -0.01 0.00 0.41 0.00 0.00 173.24 173.98 1mrc s ARG 24 N 1.35 1.18 0.14 0.00 3.00 -0.09 -1.08 118.95 123.45 1mrc s ARG 24 Ca -0.05 -1.06 0.07 0.00 0.00 0.00 0.00 55.73 54.69 1mrc s ARG 24 Cb -0.13 -1.38 -0.04 0.00 0.00 0.00 0.00 34.95 33.40 1mrc s ARG 24 CO -0.02 0.33 -0.05 -1.54 0.00 0.00 0.00 175.30 174.02 1mrc s SER 25 N -1.62 4.62 0.00 0.23 1.04 0.22 -1.07 113.70 117.12 1mrc s SER 25 Ca 0.06 -0.38 0.20 0.00 0.48 0.00 0.00 55.95 56.31 1mrc s SER 25 Cb -0.09 -0.95 1.19 0.00 0.10 0.00 0.00 66.02 66.26 1mrc s SER 25 CO 0.03 0.14 1.70 -1.54 0.98 0.00 0.00 173.24 174.55 1mrc n SER 26 N 0.30 0.00 -3.61 7.02 3.41 -0.32 -4.81 113.62 115.60 1mrc n SER 26 Ca -0.11 -1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 57.21 1mrc n SER 26 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1mrc n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1mrc s GLN 27 N -2.00 1.33 0.41 4.33 -0.21 -1.26 -4.87 119.66 117.39 1mrc s GLN 27 Ca 0.30 -0.70 -0.26 0.00 0.02 0.00 0.00 55.36 54.72 1mrc s GLN 27 Cb 0.14 0.55 -0.08 0.00 1.00 0.00 0.00 33.01 34.61 1mrc s GLN 27 CO 0.23 -0.57 1.28 0.45 -2.12 0.00 0.00 175.29 174.56 1mrc s SER 27 N -2.82 6.30 0.00 5.90 0.15 -1.26 -4.67 113.70 117.30 1mrc s SER 27 Ca 0.05 2.59 0.23 0.00 0.70 0.00 0.00 55.95 59.52 1mrc s SER 27 Cb -0.01 -2.63 0.29 0.00 -1.71 0.00 0.00 66.02 61.96 1mrc s SER 27 CO -0.07 -0.85 1.30 0.18 1.20 0.00 0.00 173.24 175.00 1mrc n LEU 27 N 0.06 3.16 -4.63 3.45 4.32 -0.44 -4.91 117.00 118.02 1mrc n LEU 27 Ca 0.04 -1.25 -0.43 0.00 -0.02 0.00 0.00 56.01 54.35 1mrc n LEU 27 Cb 0.44 -0.12 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1mrc n LEU 27 CO 0.55 0.61 1.04 -0.69 -1.22 0.00 0.00 177.39 177.67 1mrc s VAL 27 N -1.68 4.31 0.90 4.08 1.01 -1.26 -3.73 120.40 124.02 1mrc s VAL 27 Ca 0.32 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.66 1mrc s VAL 27 Cb 0.21 -4.36 0.13 0.00 0.00 0.00 0.00 36.38 32.35 1mrc s VAL 27 CO 0.30 -0.59 1.10 -2.28 0.00 0.00 0.00 175.10 173.63 1mrc s HIS 27 N 4.10 2.06 0.26 5.22 2.46 0.15 -4.90 115.29 124.63 1mrc s HIS 27 Ca 0.50 1.51 0.37 0.00 0.47 0.00 0.00 55.06 57.91 1mrc s HIS 27 Cb -0.13 -3.18 1.65 0.00 -0.13 0.00 0.00 32.58 30.80 1mrc s HIS 27 CO 0.22 -2.52 2.09 0.66 -2.47 0.00 0.00 174.74 172.72 1mrc h SER 27 N -1.65 0.00 -0.08 9.88 4.64 -1.95 -1.26 113.55 123.13 1mrc h SER 27 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1mrc h SER 27 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1mrc h SER 27 CO 0.49 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 1mrc n ASN 28 N -3.10 0.77 0.00 4.97 6.94 -1.26 -4.89 115.26 118.69 1mrc n ASN 28 Ca -0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1mrc n ASN 28 Cb 0.24 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1mrc n ASN 28 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1mrc n GLY 29 N 0.93 1.37 3.85 4.83 0.00 -0.48 -5.06 105.19 110.64 1mrc n GLY 29 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1mrc n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mrc s ASN 30 N -2.65 6.76 -0.28 1.61 0.01 -1.26 -4.76 114.94 114.37 1mrc s ASN 30 Ca 0.00 1.26 -0.01 0.00 -0.71 0.00 0.00 52.86 53.40 1mrc s ASN 30 Cb 0.00 -2.36 0.04 0.00 0.41 0.00 0.00 41.25 39.34 1mrc s ASN 30 CO 0.00 -0.21 -0.04 -0.89 -1.51 0.00 0.00 177.10 174.45 1mrc s THR 31 N -1.99 2.81 -1.19 1.60 2.01 -1.26 0.31 115.64 117.92 1mrc s THR 31 Ca 0.54 -1.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 1mrc s THR 31 Cb -0.10 -2.56 0.22 0.00 0.01 0.00 0.00 72.50 70.07 1mrc s THR 31 CO 0.18 0.01 1.53 -1.22 -0.69 0.00 0.00 174.62 174.43 1mrc n TYR 32 N 4.61 3.82 -4.60 4.92 4.02 -1.24 -4.23 117.16 124.45 1mrc n TYR 32 Ca -0.14 -3.12 -0.34 0.00 -0.01 0.00 0.00 57.90 54.29 1mrc n TYR 32 Cb 0.44 -1.84 -0.12 0.00 -0.02 0.00 0.00 39.34 37.80 1mrc n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mrc s LEU 33 N -0.38 3.10 0.08 7.72 1.98 -1.26 -1.16 118.68 128.75 1mrc s LEU 33 Ca 0.37 -0.11 0.01 0.00 -2.89 0.00 0.00 54.13 51.52 1mrc s LEU 33 Cb 0.02 -1.70 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 1mrc s LEU 33 CO 0.01 0.28 -0.06 -1.00 -1.89 0.00 0.00 176.35 173.69 1mrc s HIS 34 N -0.29 0.75 -0.04 5.38 3.76 -0.13 -1.03 115.29 123.69 1mrc s HIS 34 Ca 0.04 -0.86 0.03 0.00 -0.15 0.00 0.00 55.06 54.12 1mrc s HIS 34 Cb -0.13 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1mrc s HIS 34 CO 0.02 -0.19 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.03 1mrc s TRP 35 N -3.20 1.30 0.28 1.40 0.52 -0.06 -0.29 118.94 118.89 1mrc s TRP 35 Ca 0.06 -0.38 0.09 0.00 0.02 0.00 0.00 56.10 55.89 1mrc s TRP 35 Cb 0.03 -0.92 -0.05 0.00 -1.15 0.00 0.00 33.47 31.37 1mrc s TRP 35 CO -0.05 -0.16 -0.13 0.71 0.02 0.00 0.00 176.95 177.34 1mrc s TYR 36 N 0.27 2.11 -0.12 -1.98 1.51 -0.37 -1.16 117.35 117.61 1mrc s TYR 36 Ca -0.06 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1mrc s TYR 36 Cb -0.11 -1.07 0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1mrc s TYR 36 CO 0.02 0.51 -0.08 -1.17 -1.11 0.00 0.00 175.55 173.71 1mrc s LEU 37 N -3.48 1.28 -0.25 -1.29 2.96 0.18 -2.12 118.68 115.97 1mrc s LEU 37 Ca 0.29 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1mrc s LEU 37 Cb -0.00 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 1mrc s LEU 37 CO 0.13 -0.12 0.06 -1.58 -1.32 0.00 0.00 176.35 173.51 1mrc s GLN 38 N 1.68 3.51 0.02 1.98 0.74 0.13 -1.98 119.66 125.73 1mrc s GLN 38 Ca 0.04 -0.57 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 1mrc s GLN 38 Cb -0.13 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1mrc s GLN 38 CO -0.08 -0.24 0.25 0.15 -0.55 0.00 0.00 175.29 174.82 1mrc s LYS 39 N 1.57 3.54 -0.05 1.67 1.02 -1.26 -1.66 119.74 124.57 1mrc s LYS 39 Ca 0.06 -0.16 -0.40 0.00 0.02 0.00 0.00 55.97 55.49 1mrc s LYS 39 Cb -0.15 -3.06 -0.19 0.00 -0.52 0.00 0.00 37.83 33.91 1mrc s LYS 39 CO 0.02 0.63 1.24 -0.35 -0.92 0.00 0.00 175.35 175.98 1mrc n PRO 40 N 0.92 0.39 -2.68 -1.68 -0.04 -1.26 -1.30 135.00 129.35 1mrc n PRO 40 Ca -0.10 0.14 -0.19 0.00 -0.04 0.00 0.00 63.50 63.31 1mrc n PRO 40 Cb 0.53 -1.69 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1mrc n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mrc n GLY 41 N 2.22 -0.36 3.11 0.55 0.00 -1.26 -5.00 105.19 104.45 1mrc n GLY 41 Ca 0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1mrc n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mrc s GLN 42 N -5.28 0.52 0.66 1.61 -0.21 -0.42 -5.15 119.66 111.40 1mrc s GLN 42 Ca 0.16 -0.50 -0.13 0.00 0.02 0.00 0.00 55.36 54.91 1mrc s GLN 42 Cb -0.07 0.21 -0.00 0.00 1.00 0.00 0.00 33.01 34.15 1mrc s GLN 42 CO 0.19 -0.13 1.06 -1.54 -2.12 0.00 0.00 175.29 172.76 1mrc s SER 43 N -1.62 5.47 0.53 5.90 1.04 -1.26 -4.46 113.70 119.30 1mrc s SER 43 Ca -0.12 1.70 -0.21 0.00 0.48 0.00 0.00 55.95 57.81 1mrc s SER 43 Cb -0.06 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.50 1mrc s SER 43 CO -0.00 -1.38 1.19 -2.84 0.98 0.00 0.00 173.24 171.18 1mrc s PRO 44 N -4.68 3.35 -0.02 4.02 0.02 -1.26 -4.58 135.00 131.85 1mrc s PRO 44 Ca 0.60 1.80 0.07 0.00 0.02 0.00 0.00 61.00 63.49 1mrc s PRO 44 Cb -0.15 -2.14 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1mrc s PRO 44 CO 0.48 -0.89 -0.23 0.15 -0.33 0.00 0.00 177.00 176.18 1mrc s LYS 45 N -3.06 1.95 0.24 5.54 -0.14 -0.84 -4.93 119.74 118.50 1mrc s LYS 45 Ca 0.71 -0.83 -0.30 0.00 -1.36 0.00 0.00 55.97 54.20 1mrc s LYS 45 Cb -0.29 -1.84 -0.09 0.00 -1.68 0.00 0.00 37.83 33.93 1mrc s LYS 45 CO 0.34 0.47 1.12 -1.17 -0.76 0.00 0.00 175.35 175.35 1mrc s LEU 46 N -0.47 4.52 -0.09 3.17 2.96 -1.26 -0.65 118.68 126.86 1mrc s LEU 46 Ca 0.07 2.23 -0.11 0.00 -0.22 0.00 0.00 54.13 56.10 1mrc s LEU 46 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1mrc s LEU 46 CO -0.00 -0.21 -0.23 0.18 -1.32 0.00 0.00 176.35 174.77 1mrc n LEU 47 N 1.68 1.61 -4.02 -0.68 7.99 -0.31 -4.76 117.00 118.52 1mrc n LEU 47 Ca 0.01 0.26 -0.21 0.00 -0.01 0.00 0.00 56.01 56.06 1mrc n LEU 47 Cb 0.45 -0.59 -0.15 0.00 -0.11 0.00 0.00 43.42 43.01 1mrc n LEU 47 CO 0.54 -0.36 -0.44 -0.63 -1.51 0.00 0.00 177.39 174.99 1mrc s ILE 48 N -2.56 0.85 0.19 -0.08 1.01 -1.15 -1.88 121.20 117.59 1mrc s ILE 48 Ca -0.20 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.14 1mrc s ILE 48 Cb 0.03 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1mrc s ILE 48 CO 0.28 0.26 -0.19 -0.72 0.00 0.00 0.00 174.94 174.57 1mrc s TYR 49 N 0.13 1.97 -1.35 3.97 1.13 0.35 -0.88 117.35 122.67 1mrc s TYR 49 Ca -0.02 -0.44 -0.03 0.00 -1.41 0.00 0.00 57.07 55.17 1mrc s TYR 49 Cb -0.08 -0.95 -0.00 0.00 -1.10 0.00 0.00 41.96 39.83 1mrc s TYR 49 CO 0.01 0.43 0.53 1.63 -2.51 0.00 0.00 175.55 175.63 1mrc n LYS 50 N 0.04 -3.42 0.00 -3.49 5.02 -0.19 -1.73 118.16 114.38 1mrc n LYS 50 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 1mrc n LYS 50 Cb 0.58 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.96 1mrc n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1mrc n VAL 51 N -4.34 0.00 -1.44 -0.18 0.31 -0.42 -4.12 118.33 108.14 1mrc n VAL 51 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1mrc n VAL 51 Cb 0.67 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.61 1mrc n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1mrc n SER 52 N 2.26 0.15 -4.77 4.52 3.41 -1.22 -3.66 113.62 114.32 1mrc n SER 52 Ca 0.00 -1.58 -0.36 0.00 -0.26 0.00 0.00 58.87 56.67 1mrc n SER 52 Cb 0.00 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1mrc n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1mrc s ASN 53 N -0.61 6.41 0.18 4.04 0.01 -0.71 -4.68 114.94 119.59 1mrc s ASN 53 Ca 0.01 0.47 -0.18 0.00 -0.71 0.00 0.00 52.86 52.46 1mrc s ASN 53 Cb 0.01 -2.15 -0.08 0.00 0.41 0.00 0.00 41.25 39.45 1mrc s ASN 53 CO 0.00 0.20 0.65 -0.13 -1.51 0.00 0.00 177.10 176.31 1mrc s ARG 54 N 0.02 4.15 0.44 -0.60 0.52 -1.26 -0.49 118.95 121.73 1mrc s ARG 54 Ca 0.15 0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 55.92 1mrc s ARG 54 Cb -0.13 -2.93 -0.09 0.00 0.52 0.00 0.00 34.95 32.33 1mrc s ARG 54 CO 0.03 0.44 0.90 0.12 0.02 0.00 0.00 175.30 176.81 1mrc s PHE 55 N -1.47 3.41 -0.24 -0.53 5.36 -0.79 -4.93 117.98 118.80 1mrc s PHE 55 Ca 0.40 1.38 -0.39 0.00 -0.96 0.00 0.00 56.93 57.37 1mrc s PHE 55 Cb -0.16 -2.70 -0.15 0.00 -0.34 0.00 0.00 43.02 39.67 1mrc s PHE 55 CO 0.20 -0.18 1.78 0.43 -1.46 0.00 0.00 175.22 175.99 1mrc n SER 56 N -1.11 2.63 0.00 6.13 7.64 -1.26 -2.04 113.62 125.61 1mrc n SER 56 Ca 0.05 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1mrc n SER 56 Cb 0.54 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 1mrc n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mrc n GLY 57 N 4.25 3.10 3.70 0.23 0.00 -1.26 -5.06 105.19 110.15 1mrc n GLY 57 Ca 0.26 -0.96 -0.54 0.00 0.00 0.00 0.00 46.02 44.77 1mrc n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mrc n VAL 58 N 0.00 0.39 -2.27 1.61 0.31 -0.86 -4.93 118.33 112.58 1mrc n VAL 58 Ca 0.00 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 63.92 1mrc n VAL 58 Cb 0.00 -1.45 -0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1mrc n VAL 58 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1mrc s PRO 59 N 3.57 3.44 0.00 5.55 0.04 -1.26 -4.86 135.00 141.49 1mrc s PRO 59 Ca 0.96 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1mrc s PRO 59 Cb -0.93 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1mrc s PRO 59 CO 0.60 -0.74 0.67 -0.40 0.04 0.00 0.00 177.00 177.17 1mrc n ASP 60 N -1.42 0.00 -0.20 6.66 5.68 -1.26 -2.13 116.55 123.89 1mrc n ASP 60 Ca 0.10 0.21 -0.01 0.00 -0.50 0.00 0.00 54.79 54.59 1mrc n ASP 60 Cb 0.52 -0.21 0.21 0.00 -1.14 0.00 0.00 41.12 40.50 1mrc n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1mrc h ARG 61 N 0.00 0.96 -6.26 0.11 3.08 -1.94 -3.42 114.38 106.91 1mrc h ARG 61 Ca 0.00 -0.11 -0.55 0.00 0.07 0.00 0.00 59.98 59.39 1mrc h ARG 61 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1mrc h ARG 61 CO 0.00 0.71 0.30 -0.06 -1.07 0.00 0.00 179.97 179.85 1mrc s PHE 62 N -5.63 3.61 -0.05 3.04 0.08 -0.90 -1.08 117.98 117.05 1mrc s PHE 62 Ca -0.11 1.53 -0.05 0.00 0.12 0.00 0.00 56.93 58.43 1mrc s PHE 62 Cb 0.17 -3.02 0.02 0.00 -0.57 0.00 0.00 43.02 39.61 1mrc s PHE 62 CO 0.79 -0.01 0.14 -1.54 -0.10 0.00 0.00 175.22 174.51 1mrc s SER 63 N 0.96 -0.14 0.07 1.36 1.04 -0.91 -4.98 113.70 111.09 1mrc s SER 63 Ca 0.47 0.29 0.06 0.00 0.48 0.00 0.00 55.95 57.24 1mrc s SER 63 Cb -0.20 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1mrc s SER 63 CO 0.23 -0.06 -0.11 -0.83 0.98 0.00 0.00 173.24 173.45 1mrc s GLY 64 N 0.26 1.73 0.28 7.32 0.00 -1.25 -1.35 107.32 114.30 1mrc s GLY 64 Ca -0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 1mrc s GLY 64 CO -0.01 -1.12 0.38 -1.35 0.00 0.00 0.00 173.10 171.00 1mrc s SER 65 N -1.84 0.52 0.00 1.64 1.04 -0.69 -4.34 113.70 110.02 1mrc s SER 65 Ca 0.19 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1mrc s SER 65 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1mrc s SER 65 CO 0.10 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1mrc n GLY 66 N -0.45 0.98 3.64 7.32 0.00 -1.26 -1.43 105.19 113.99 1mrc n GLY 66 Ca 0.01 -2.02 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 1mrc n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mrc s SER 67 N -0.54 -0.16 0.11 1.61 0.15 -0.70 -4.97 113.70 109.20 1mrc s SER 67 Ca 0.00 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1mrc s SER 67 Cb 0.00 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1mrc s SER 67 CO 0.00 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1mrc n GLY 68 N 1.56 0.24 0.00 9.45 0.00 -1.26 -2.02 105.19 113.16 1mrc n GLY 68 Ca -0.10 0.60 0.03 0.00 0.00 0.00 0.00 46.02 46.55 1mrc n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mrc n THR 69 N 0.00 0.00 -4.02 2.61 -2.24 -1.26 -1.33 114.28 108.04 1mrc n THR 69 Ca 0.00 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 1mrc n THR 69 Cb 0.00 0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 68.83 1mrc n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1mrc s ASP 70 N -1.94 3.88 0.10 3.42 1.01 -0.86 -0.61 116.67 121.67 1mrc s ASP 70 Ca 0.00 -0.72 0.08 0.00 0.71 0.00 0.00 52.55 52.62 1mrc s ASP 70 Cb 0.04 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 1mrc s ASP 70 CO 0.22 -0.06 -0.21 -0.36 0.21 0.00 0.00 175.17 174.97 1mrc s PHE 71 N 1.33 1.79 -0.04 4.23 0.08 -0.24 -1.72 117.98 123.41 1mrc s PHE 71 Ca 0.03 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.66 1mrc s PHE 71 Cb -0.15 -0.99 0.03 0.00 -0.57 0.00 0.00 43.02 41.34 1mrc s PHE 71 CO -0.07 0.19 -0.00 0.99 -0.10 0.00 0.00 175.22 176.23 1mrc s THR 72 N -1.13 0.26 -0.23 0.64 2.01 -0.51 -1.18 115.64 115.50 1mrc s THR 72 Ca 0.06 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.03 1mrc s THR 72 Cb -0.10 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1mrc s THR 72 CO 0.04 0.18 0.18 -0.22 -0.69 0.00 0.00 174.62 174.12 1mrc s LEU 73 N 1.26 4.13 0.07 4.42 2.96 -0.23 -1.71 118.68 129.57 1mrc s LEU 73 Ca -0.06 0.16 0.08 0.00 -0.22 0.00 0.00 54.13 54.09 1mrc s LEU 73 Cb -0.13 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1mrc s LEU 73 CO -0.02 0.06 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.35 1mrc s LYS 74 N 1.03 1.96 -0.12 1.98 1.02 -0.46 -1.10 119.74 124.05 1mrc s LYS 74 Ca 0.09 -1.06 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1mrc s LYS 74 Cb -0.13 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1mrc s LYS 74 CO 0.04 0.52 -0.14 0.42 -0.92 0.00 0.00 175.35 175.27 1mrc s ILE 75 N -1.02 1.45 0.02 2.17 1.01 0.44 -2.14 121.20 123.14 1mrc s ILE 75 Ca 0.16 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 1mrc s ILE 75 Cb -0.11 -1.34 -0.17 0.00 0.01 0.00 0.00 42.46 40.85 1mrc s ILE 75 CO 0.07 0.43 1.26 -1.28 0.00 0.00 0.00 174.94 175.43 1mrc h SER 76 N 7.64 0.41 -2.77 3.58 0.87 -1.39 -0.53 113.55 121.36 1mrc h SER 76 Ca -0.33 -0.57 -0.58 0.00 -1.23 0.00 0.00 61.79 59.08 1mrc h SER 76 Cb 1.16 -0.12 -0.39 0.00 -0.44 0.00 0.00 62.40 62.61 1mrc h SER 76 CO 0.49 0.91 -0.82 -0.13 -0.53 0.00 0.00 176.83 176.75 1mrc s ARG 77 N -3.94 0.62 0.32 2.24 3.00 -1.25 -3.73 118.95 116.21 1mrc s ARG 77 Ca -0.14 -1.32 -0.29 0.00 0.00 0.00 0.00 55.73 53.98 1mrc s ARG 77 Cb 0.05 -1.46 -0.13 0.00 0.00 0.00 0.00 34.95 33.41 1mrc s ARG 77 CO 0.77 -1.17 1.31 0.28 0.00 0.00 0.00 175.30 176.49 1mrc n VAL 78 N 4.15 1.78 -4.15 3.52 0.31 0.32 -4.63 118.33 119.62 1mrc n VAL 78 Ca 0.09 -0.44 -0.16 0.00 -0.01 0.00 0.00 64.34 63.81 1mrc n VAL 78 Cb 0.37 -1.54 -0.12 0.00 -0.91 0.00 0.00 33.84 31.65 1mrc n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1mrc s GLU 79 N -1.55 0.78 0.45 5.55 2.02 -1.26 -0.74 118.70 123.94 1mrc s GLU 79 Ca 0.58 -0.98 0.22 0.00 0.02 0.00 0.00 54.97 54.82 1mrc s GLU 79 Cb -0.59 -0.66 1.20 0.00 0.10 0.00 0.00 34.13 34.19 1mrc s GLU 79 CO 0.59 0.13 1.83 0.00 0.02 0.00 0.00 175.26 177.84 1mrc h ALA 80 N 4.13 2.41 0.00 5.21 0.00 -1.94 0.43 119.26 129.50 1mrc h ALA 80 Ca -0.39 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1mrc h ALA 80 Cb 1.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1mrc h ALA 80 CO 0.44 -0.73 0.00 -0.85 0.00 0.00 0.00 179.25 178.10 1mrc n GLU 81 N -4.47 0.06 0.00 0.00 0.28 -1.26 -2.41 120.64 112.84 1mrc n GLU 81 Ca 0.21 0.29 0.12 0.00 -0.16 0.00 0.00 57.16 57.62 1mrc n GLU 81 Cb 0.85 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 32.42 1mrc n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1mrc n ASP 82 N -1.40 0.80 -4.76 -1.84 8.00 0.15 -4.95 116.55 112.55 1mrc n ASP 82 Ca 0.03 -0.60 -0.38 0.00 0.71 0.00 0.00 54.79 54.55 1mrc n ASP 82 Cb 0.08 0.36 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1mrc n ASP 82 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1mrc s LEU 83 N -2.85 3.99 0.00 0.64 2.34 -1.01 -4.90 118.68 116.88 1mrc s LEU 83 Ca 0.14 2.47 0.00 0.00 0.06 0.00 0.00 54.13 56.80 1mrc s LEU 83 Cb 0.18 -4.22 0.00 0.00 -0.56 0.00 0.00 46.19 41.59 1mrc s LEU 83 CO 0.68 -1.10 0.00 0.61 -1.06 0.00 0.00 176.35 175.48 1mrc n GLY 84 N 0.55 -0.50 3.38 -3.48 0.00 -1.25 -4.85 105.19 99.05 1mrc n GLY 84 Ca 0.08 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 1mrc n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mrc s VAL 85 N -2.88 3.62 -0.12 1.61 1.01 -0.66 -1.93 120.40 121.05 1mrc s VAL 85 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1mrc s VAL 85 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1mrc s VAL 85 CO 0.00 0.43 0.28 -0.31 0.00 0.00 0.00 175.10 175.50 1mrc s TYR 86 N 1.19 3.54 0.16 5.22 1.51 -0.79 -0.70 117.35 127.48 1mrc s TYR 86 Ca 0.03 0.65 0.09 0.00 -1.01 0.00 0.00 57.07 56.83 1mrc s TYR 86 Cb -0.14 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1mrc s TYR 86 CO -0.00 0.41 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.58 1mrc s PHE 87 N -0.11 1.98 0.21 2.71 0.08 -0.90 -1.82 117.98 120.12 1mrc s PHE 87 Ca 0.17 -0.42 0.10 0.00 0.12 0.00 0.00 56.93 56.90 1mrc s PHE 87 Cb -0.13 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1mrc s PHE 87 CO 0.05 0.37 -0.14 0.00 -0.10 0.00 0.00 175.22 175.40 1mrc s SER 89 N -2.99 0.31 -0.01 0.00 0.15 0.61 -0.56 113.70 111.21 1mrc s SER 89 Ca 0.25 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 56.09 1mrc s SER 89 Cb -0.08 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1mrc s SER 89 CO 0.14 -0.65 -0.02 0.00 1.20 0.00 0.00 173.24 173.91 1mrc s GLN 90 N -3.83 0.21 -0.08 5.44 1.03 -0.49 -0.96 119.66 120.99 1mrc s GLN 90 Ca 0.05 -0.06 0.12 0.00 0.04 0.00 0.00 55.36 55.51 1mrc s GLN 90 Cb 0.06 -0.24 0.18 0.00 0.03 0.00 0.00 33.01 33.04 1mrc s GLN 90 CO -0.10 0.02 1.08 -1.13 -2.54 0.00 0.00 175.29 172.62 1mrc n SER 91 N 3.21 1.56 -0.06 12.60 3.41 -0.31 -2.36 113.62 131.67 1mrc n SER 91 Ca -0.15 -2.66 -0.15 0.00 -0.26 0.00 0.00 58.87 55.65 1mrc n SER 91 Cb 0.58 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1mrc n SER 91 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1mrc h THR 92 N 2.22 1.32 -3.31 6.66 2.02 -1.86 -3.45 112.91 116.51 1mrc h THR 92 Ca 0.00 -1.67 -0.66 0.00 0.77 0.00 0.00 66.41 64.85 1mrc h THR 92 Cb 1.10 1.87 -0.13 0.00 -1.74 0.00 0.00 68.15 69.25 1mrc h THR 92 CO 0.00 0.52 -0.63 -1.00 0.37 0.00 0.00 175.52 174.78 1mrc s HIS 93 N -4.02 3.11 -0.16 3.16 3.76 -1.26 -4.95 115.29 114.92 1mrc s HIS 93 Ca -0.12 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.74 1mrc s HIS 93 Cb 0.07 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 32.05 1mrc s HIS 93 CO 0.84 0.48 0.32 0.08 -0.85 0.00 0.00 174.74 175.61 1mrc s VAL 94 N -1.13 5.29 0.48 -0.90 1.01 -1.26 -3.29 120.40 120.60 1mrc s VAL 94 Ca 0.21 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 1mrc s VAL 94 Cb -0.12 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 1mrc s VAL 94 CO 0.12 0.36 1.03 -2.16 0.00 0.00 0.00 175.10 174.45 1mrc s PRO 95 N 0.61 3.84 0.47 2.72 0.04 -1.26 -4.45 135.00 136.97 1mrc s PRO 95 Ca 0.17 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.30 1mrc s PRO 95 Cb -0.13 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 1mrc s PRO 95 CO 0.05 -0.39 1.27 -0.98 0.04 0.00 0.00 177.00 176.99 1mrc s ARG 96 N -3.26 3.62 0.05 4.56 1.70 -1.21 -4.38 118.95 120.04 1mrc s ARG 96 Ca 0.66 2.05 0.05 0.00 -0.47 0.00 0.00 55.73 58.02 1mrc s ARG 96 Cb -0.15 -2.47 -0.03 0.00 -0.57 0.00 0.00 34.95 31.73 1mrc s ARG 96 CO 0.20 -0.74 -0.14 0.99 -1.08 0.00 0.00 175.30 174.53 1mrc s THR 97 N -1.38 1.09 0.39 4.99 2.01 -1.00 -4.99 115.64 116.77 1mrc s THR 97 Ca 0.64 -1.14 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1mrc s THR 97 Cb -0.35 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1mrc s THR 97 CO 0.43 -0.11 0.15 -0.36 -0.69 0.00 0.00 174.62 174.04 1mrc s PHE 98 N -1.05 2.61 0.24 4.92 0.40 -1.26 -1.39 117.98 122.44 1mrc s PHE 98 Ca -0.00 -0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1mrc s PHE 98 Cb -0.09 -1.85 0.05 0.00 0.51 0.00 0.00 43.02 41.64 1mrc s PHE 98 CO 0.02 0.25 0.33 0.41 0.70 0.00 0.00 175.22 176.93 1mrc n GLY 99 N -1.18 0.75 0.13 4.36 0.00 0.28 -4.32 105.19 105.21 1mrc n GLY 99 Ca -0.02 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 1mrc n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mrc h GLY 100 N -0.19 0.34 0.00 -0.02 0.00 -1.90 -3.45 103.07 97.85 1mrc h GLY 100 Ca -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1mrc h GLY 100 CO 0.12 0.75 0.00 0.61 0.00 0.00 0.00 176.54 178.02 1mrc n GLY 101 N 1.79 4.07 2.69 4.60 0.00 -1.26 -4.98 105.19 112.10 1mrc n GLY 101 Ca -0.25 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 1mrc n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrc s THR 102 N -2.15 0.35 -0.30 2.61 2.01 -0.76 -4.58 115.64 112.83 1mrc s THR 102 Ca 0.00 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1mrc s THR 102 Cb 0.00 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.56 1mrc s THR 102 CO 0.00 -0.31 1.07 -0.75 -0.69 0.00 0.00 174.62 173.94 1mrc s LYS 103 N 1.93 4.10 -0.11 4.92 2.20 -0.41 -1.88 119.74 130.49 1mrc s LYS 103 Ca 0.01 1.13 -0.18 0.00 -0.36 0.00 0.00 55.97 56.58 1mrc s LYS 103 Cb -0.17 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1mrc s LYS 103 CO -0.12 -0.85 0.48 -1.17 -0.36 0.00 0.00 175.35 173.33 1mrc s LEU 104 N 3.57 4.29 -0.01 5.43 0.20 -0.81 -0.05 118.68 131.29 1mrc s LEU 104 Ca 0.45 0.83 0.03 0.00 0.69 0.00 0.00 54.13 56.13 1mrc s LEU 104 Cb -0.13 -2.70 -0.00 0.00 -0.43 0.00 0.00 46.19 42.93 1mrc s LEU 104 CO 0.14 0.02 -0.10 -1.83 -0.29 0.00 0.00 176.35 174.28 1mrc s GLU 105 N 0.54 0.91 0.32 1.98 -1.05 0.91 -3.78 118.70 118.54 1mrc s GLU 105 Ca 0.26 -0.36 -0.27 0.00 -0.15 0.00 0.00 54.97 54.45 1mrc s GLU 105 Cb -0.15 -0.87 -0.10 0.00 -0.44 0.00 0.00 34.13 32.57 1mrc s GLU 105 CO 0.11 0.19 0.98 0.42 0.95 0.00 0.00 175.26 177.91 1mrc s ILE 106 N -0.11 4.00 -0.22 1.83 -1.09 -1.26 -0.56 121.20 123.79 1mrc s ILE 106 Ca 0.02 1.71 -0.10 0.00 -2.23 0.00 0.00 60.65 60.05 1mrc s ILE 106 Cb -0.06 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1mrc s ILE 106 CO -0.00 0.19 0.16 -0.54 -1.23 0.00 0.00 174.94 173.51 1mrc s LYS 107 N -1.96 4.12 0.27 2.79 1.02 -0.57 -4.76 119.74 120.64 1mrc s LYS 107 Ca 0.50 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1mrc s LYS 107 Cb -0.22 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.56 1mrc s LYS 107 CO 0.28 0.14 0.19 -0.98 -0.92 0.00 0.00 175.35 174.06 1mrc s ARG 108 N 0.81 1.48 0.48 1.68 1.04 -1.26 -4.14 118.95 119.03 1mrc s ARG 108 Ca 0.08 -1.82 -0.23 0.00 -1.04 0.00 0.00 55.73 52.72 1mrc s ARG 108 Cb -0.13 0.20 -0.07 0.00 -2.04 0.00 0.00 34.95 32.91 1mrc s ARG 108 CO 0.02 -0.49 1.23 0.00 -0.04 0.00 0.00 175.30 176.03 1mrc s ALA 109 N -3.79 2.96 0.43 7.88 0.00 -1.26 -4.95 121.76 123.03 1mrc s ALA 109 Ca 0.39 1.07 -0.24 0.00 0.00 0.00 0.00 51.96 53.18 1mrc s ALA 109 Cb 0.05 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1mrc s ALA 109 CO 0.19 -0.87 1.14 -0.25 0.00 0.00 0.00 175.76 175.97 1mrc n ASP 110 N -0.56 1.89 -3.83 0.00 9.92 -1.26 -4.81 116.55 117.90 1mrc n ASP 110 Ca 0.08 1.06 -0.13 0.00 -0.53 0.00 0.00 54.79 55.26 1mrc n ASP 110 Cb 0.47 -1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 39.37 1mrc n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mrc s ALA 111 N -1.25 -0.01 0.21 2.24 0.00 -0.75 -4.92 121.76 117.28 1mrc s ALA 111 Ca 0.63 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 1mrc s ALA 111 Cb -0.52 -0.13 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 1mrc s ALA 111 CO 0.56 -0.05 0.57 0.00 0.00 0.00 0.00 175.76 176.85 1mrc s ALA 112 N 0.44 3.54 0.67 0.00 0.00 -1.26 -1.73 121.76 123.42 1mrc s ALA 112 Ca -0.04 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1mrc s ALA 112 Cb -0.05 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.55 1mrc s ALA 112 CO -0.01 0.47 1.06 -1.25 0.00 0.00 0.00 175.76 176.02 1mrc s PRO 113 N -2.48 2.98 -0.30 0.00 0.04 -1.26 -4.54 135.00 129.44 1mrc s PRO 113 Ca 0.44 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 1mrc s PRO 113 Cb -0.13 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1mrc s PRO 113 CO 0.20 -1.07 0.02 0.95 0.04 0.00 0.00 177.00 177.14 1mrc s THR 114 N -2.87 3.22 0.33 1.26 -4.23 -0.95 -4.90 115.64 107.50 1mrc s THR 114 Ca 0.60 -1.21 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 1mrc s THR 114 Cb -0.15 -2.79 -0.08 0.00 1.34 0.00 0.00 72.50 70.82 1mrc s THR 114 CO 0.50 -0.05 0.72 -0.69 -0.54 0.00 0.00 174.62 174.56 1mrc s VAL 115 N 1.32 4.72 -0.13 2.29 1.01 -1.26 -2.08 120.40 126.27 1mrc s VAL 115 Ca -0.03 0.84 -0.12 0.00 0.00 0.00 0.00 61.98 62.67 1mrc s VAL 115 Cb -0.19 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1mrc s VAL 115 CO -0.01 -0.24 0.35 -0.44 0.00 0.00 0.00 175.10 174.77 1mrc s SER 116 N -2.45 -0.37 0.02 3.32 0.01 -0.84 -4.98 113.70 108.42 1mrc s SER 116 Ca 0.53 0.71 0.05 0.00 1.31 0.00 0.00 55.95 58.55 1mrc s SER 116 Cb -0.10 0.72 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 1mrc s SER 116 CO 0.20 -0.13 -0.15 -0.51 0.41 0.00 0.00 173.24 173.07 1mrc s ILE 117 N 0.27 1.16 -0.05 1.44 2.07 -1.26 -1.35 121.20 123.48 1mrc s ILE 117 Ca -0.01 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.35 1mrc s ILE 117 Cb -0.03 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 41.56 1mrc s ILE 117 CO -0.00 0.12 -0.07 -0.36 -1.91 0.00 0.00 174.94 172.71 1mrc s PHE 118 N -0.69 0.93 0.88 3.50 0.08 -0.31 -5.01 117.98 117.37 1mrc s PHE 118 Ca 0.03 -0.28 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 1mrc s PHE 118 Cb -0.07 -0.75 0.12 0.00 -0.57 0.00 0.00 43.02 41.75 1mrc s PHE 118 CO 0.01 -0.20 1.17 -1.25 -0.10 0.00 0.00 175.22 174.85 1mrc s PRO 119 N 0.76 1.37 0.59 0.24 0.04 -1.26 -2.60 135.00 134.15 1mrc s PRO 119 Ca -0.12 0.15 -0.19 0.00 0.04 0.00 0.00 61.00 60.88 1mrc s PRO 119 Cb -0.14 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1mrc s PRO 119 CO 0.01 -2.01 1.26 -2.14 0.04 0.00 0.00 177.00 174.16 1mrc s PRO 120 N -5.45 2.95 0.51 0.56 0.02 -1.24 -4.81 135.00 127.54 1mrc s PRO 120 Ca 0.64 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 63.57 1mrc s PRO 120 Cb -0.12 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1mrc s PRO 120 CO 0.52 -1.26 0.84 -1.54 -0.33 0.00 0.00 177.00 175.22 1mrc s SER 121 N -1.38 6.27 0.26 2.53 1.04 -1.26 -4.93 113.70 116.23 1mrc s SER 121 Ca 0.77 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 58.20 1mrc s SER 121 Cb -0.34 -2.30 0.33 0.00 0.10 0.00 0.00 66.02 63.81 1mrc s SER 121 CO 0.38 -0.63 1.90 0.28 0.98 0.00 0.00 173.24 176.15 1mrc h SER 122 N 0.17 1.07 -0.31 7.02 0.02 -1.99 -0.42 113.55 119.12 1mrc h SER 122 Ca -0.46 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1mrc h SER 122 Cb 1.20 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1mrc h SER 122 CO 0.62 0.72 0.16 -0.33 -1.14 0.00 0.00 176.83 176.86 1mrc h GLU 123 N 1.24 0.43 -0.34 3.45 5.08 -1.99 -0.34 114.58 122.11 1mrc h GLU 123 Ca 0.40 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 1mrc h GLU 123 Cb 0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1mrc h GLU 123 CO -0.13 0.38 -0.04 0.37 -1.00 0.00 0.00 179.01 178.59 1mrc h GLN 124 N 0.37 0.63 -0.56 2.33 4.15 -1.68 -3.16 115.11 117.19 1mrc h GLN 124 Ca 0.11 -0.22 0.10 0.00 0.77 0.00 0.00 58.65 59.41 1mrc h GLN 124 Cb 0.08 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.65 1mrc h GLN 124 CO -0.02 0.77 0.13 -0.07 -1.93 0.00 0.00 178.83 177.71 1mrc h LEU 125 N 0.42 0.02 0.00 -2.39 4.07 -0.81 -0.39 115.31 116.24 1mrc h LEU 125 Ca 0.09 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.15 1mrc h LEU 125 Cb 0.51 0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1mrc h LEU 125 CO 0.02 0.03 0.00 0.35 -1.08 0.00 0.00 178.44 177.76 1mrc n THR 126 N -5.11 1.13 0.92 0.22 -2.24 -0.16 -0.83 114.28 108.20 1mrc n THR 126 Ca 0.08 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 1mrc n THR 126 Cb 0.29 -1.12 0.13 0.00 -2.10 0.00 0.00 70.33 67.53 1mrc n THR 126 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1mrc n SER 127 N -1.41 3.01 0.00 3.42 2.88 -0.16 -4.98 113.62 116.37 1mrc n SER 127 Ca 0.03 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1mrc n SER 127 Cb 0.10 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1mrc n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mrc n GLY 128 N 1.37 0.86 3.70 0.46 0.00 -0.01 -5.07 105.19 106.49 1mrc n GLY 128 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1mrc n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mrc s GLY 129 N -2.03 2.18 -0.25 -0.02 0.00 -1.23 -0.57 107.32 105.41 1mrc s GLY 129 Ca 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 44.72 42.68 1mrc s GLY 129 CO 0.00 -1.89 0.35 0.00 0.00 0.00 0.00 173.10 171.56 1mrc s ALA 130 N -2.55 -0.92 -0.22 3.20 0.00 0.13 -3.43 121.76 117.98 1mrc s ALA 130 Ca 0.38 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.80 1mrc s ALA 130 Cb 0.02 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1mrc s ALA 130 CO 0.21 -1.39 0.14 -1.12 0.00 0.00 0.00 175.76 173.60 1mrc s SER 131 N 2.49 6.10 -0.19 0.00 0.01 -1.26 -0.21 113.70 120.65 1mrc s SER 131 Ca 0.11 0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.49 1mrc s SER 131 Cb -0.15 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1mrc s SER 131 CO -0.20 0.12 -0.05 0.54 0.41 0.00 0.00 173.24 174.06 1mrc s VAL 132 N 0.72 3.53 0.04 3.43 0.11 0.12 -3.64 120.40 124.72 1mrc s VAL 132 Ca 0.07 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 1mrc s VAL 132 Cb -0.12 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.12 1mrc s VAL 132 CO 0.01 0.46 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.52 1mrc s VAL 133 N 0.95 3.89 -0.03 2.04 1.01 -1.07 -1.00 120.40 126.19 1mrc s VAL 133 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1mrc s VAL 133 Cb -0.15 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.49 1mrc s VAL 133 CO 0.01 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.37 1mrc s PHE 135 N 1.17 2.91 -0.44 0.00 0.08 -0.45 -0.65 117.98 120.60 1mrc s PHE 135 Ca -0.08 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.69 1mrc s PHE 135 Cb -0.13 -1.83 0.12 0.00 -0.57 0.00 0.00 43.02 40.61 1mrc s PHE 135 CO -0.02 0.03 0.18 -0.51 -0.10 0.00 0.00 175.22 174.80 1mrc s LEU 136 N -0.05 4.73 -0.08 -0.37 1.02 -0.19 -1.98 118.68 121.75 1mrc s LEU 136 Ca -0.01 -2.50 -0.05 0.00 0.02 0.00 0.00 54.13 51.59 1mrc s LEU 136 Cb -0.14 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 1mrc s LEU 136 CO 0.03 -0.35 0.15 0.20 0.02 0.00 0.00 176.35 176.40 1mrc s ASN 137 N 0.60 6.32 -1.05 2.29 0.01 -0.89 -1.53 114.94 120.69 1mrc s ASN 137 Ca 0.13 0.41 -0.03 0.00 -0.71 0.00 0.00 52.86 52.66 1mrc s ASN 137 Cb -0.22 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1mrc s ASN 137 CO -0.04 0.36 0.89 0.59 -1.51 0.00 0.00 177.10 177.39 1mrc n ASN 138 N 1.64 -4.49 -4.59 -1.22 4.13 -0.04 -2.25 115.26 108.44 1mrc n ASN 138 Ca -0.17 -0.63 -0.24 0.00 1.68 0.00 0.00 54.58 55.22 1mrc n ASN 138 Cb 0.54 -4.89 -0.09 0.00 -1.54 0.00 0.00 39.78 33.81 1mrc n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1mrc s PHE 139 N -3.35 2.50 -0.21 3.10 -0.12 -0.15 -4.56 117.98 115.19 1mrc s PHE 139 Ca 0.24 -0.39 -0.12 0.00 -0.05 0.00 0.00 56.93 56.61 1mrc s PHE 139 Cb -0.03 -1.32 0.06 0.00 -0.63 0.00 0.00 43.02 41.10 1mrc s PHE 139 CO 0.69 0.57 0.51 -0.47 -0.05 0.00 0.00 175.22 176.46 1mrc s TYR 140 N -2.50 -0.74 0.85 3.49 6.14 -0.71 0.33 117.35 124.22 1mrc s TYR 140 Ca 0.33 1.56 -0.12 0.00 0.64 0.00 0.00 57.07 59.48 1mrc s TYR 140 Cb -0.02 0.37 0.10 0.00 0.42 0.00 0.00 41.96 42.83 1mrc s TYR 140 CO 0.18 -0.39 1.10 -1.25 0.64 0.00 0.00 175.55 175.83 1mrc s PRO 141 N 1.33 1.66 0.00 4.97 0.04 -1.26 -1.80 135.00 139.94 1mrc s PRO 141 Ca -0.08 0.71 0.01 0.00 0.04 0.00 0.00 61.00 61.68 1mrc s PRO 141 Cb -0.07 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.67 1mrc s PRO 141 CO -0.13 -1.93 0.96 0.36 0.04 0.00 0.00 177.00 176.30 1mrc n LYS 142 N -3.66 0.01 -2.75 4.56 0.00 -1.26 -4.63 118.16 110.43 1mrc n LYS 142 Ca 0.07 0.40 -0.43 0.00 -0.00 0.00 0.00 58.31 58.36 1mrc n LYS 142 Cb 0.56 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 34.06 1mrc n LYS 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1mrc s ASP 143 N -2.84 6.90 -0.13 -5.58 1.01 -1.26 -4.99 116.67 109.79 1mrc s ASP 143 Ca 0.01 1.05 -0.22 0.00 0.71 0.00 0.00 52.55 54.10 1mrc s ASP 143 Cb 0.01 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.50 1mrc s ASP 143 CO 0.02 -0.70 0.54 -0.51 0.21 0.00 0.00 175.17 174.73 1mrc s ILE 144 N 3.24 0.01 -0.07 0.77 2.07 -1.26 -4.65 121.20 121.30 1mrc s ILE 144 Ca 0.40 -0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.59 1mrc s ILE 144 Cb -0.14 -0.81 -0.00 0.00 0.13 0.00 0.00 42.46 41.64 1mrc s ILE 144 CO 0.11 -0.05 -0.21 0.54 -1.91 0.00 0.00 174.94 173.41 1mrc s ASN 145 N -0.45 2.74 -0.02 4.50 4.22 -0.79 -4.99 114.94 120.14 1mrc s ASN 145 Ca -0.06 -0.47 0.04 0.00 -2.14 0.00 0.00 52.86 50.22 1mrc s ASN 145 Cb -0.03 -1.03 -0.03 0.00 1.28 0.00 0.00 41.25 41.44 1mrc s ASN 145 CO 0.04 0.17 -0.11 -0.69 -2.04 0.00 0.00 177.10 174.46 1mrc s VAL 146 N 0.19 3.30 -0.03 3.54 1.01 -1.26 -0.93 120.40 126.22 1mrc s VAL 146 Ca -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1mrc s VAL 146 Cb -0.15 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1mrc s VAL 146 CO 0.06 0.49 -0.01 -1.59 0.00 0.00 0.00 175.10 174.04 1mrc s LYS 147 N -1.08 0.47 -0.12 2.72 0.00 0.60 -4.97 119.74 117.36 1mrc s LYS 147 Ca 0.14 0.02 -0.08 0.00 0.00 0.00 0.00 55.97 56.05 1mrc s LYS 147 Cb -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 37.83 37.08 1mrc s LYS 147 CO 0.04 -0.12 0.17 -1.58 0.00 0.00 0.00 175.35 173.85 1mrc s TRP 148 N 1.00 3.59 -0.06 1.78 0.52 -1.26 -0.83 118.94 123.69 1mrc s TRP 148 Ca -0.10 0.56 -0.00 0.00 0.02 0.00 0.00 56.10 56.58 1mrc s TRP 148 Cb -0.14 -2.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.21 1mrc s TRP 148 CO -0.01 0.68 -0.02 0.15 0.02 0.00 0.00 176.95 177.77 1mrc s LYS 149 N -0.88 0.66 -0.39 4.98 1.02 -0.70 -0.16 119.74 124.26 1mrc s LYS 149 Ca 0.15 0.02 -0.07 0.00 0.02 0.00 0.00 55.97 56.09 1mrc s LYS 149 Cb -0.12 -0.85 0.08 0.00 -0.52 0.00 0.00 37.83 36.41 1mrc s LYS 149 CO 0.04 -0.19 0.20 0.42 -0.92 0.00 0.00 175.35 174.90 1mrc s ILE 150 N 1.42 3.84 -1.09 2.17 1.01 0.12 -1.23 121.20 127.44 1mrc s ILE 150 Ca -0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 60.65 59.11 1mrc s ILE 150 Cb -0.13 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1mrc s ILE 150 CO -0.03 -0.46 0.92 0.47 0.00 0.00 0.00 174.94 175.84 1mrc n ASP 151 N 4.80 -3.06 0.00 3.58 8.00 -0.31 -1.99 116.55 127.57 1mrc n ASP 151 Ca -0.09 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1mrc n ASP 151 Cb 0.43 -4.85 0.00 0.00 -0.02 0.00 0.00 41.12 36.68 1mrc n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mrc n GLY 152 N -1.15 0.68 3.56 0.44 0.00 -1.26 -4.95 105.19 102.50 1mrc n GLY 152 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1mrc n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrc s LYS 153 N -0.41 3.87 0.23 1.61 0.00 -0.84 -5.02 119.74 119.18 1mrc s LYS 153 Ca 0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 55.97 55.29 1mrc s LYS 153 Cb 0.00 -3.48 -0.12 0.00 0.00 0.00 0.00 37.83 34.23 1mrc s LYS 153 CO 0.00 -0.10 1.70 -1.91 0.00 0.00 0.00 175.35 175.04 1mrc n GLU 154 N 4.73 2.77 -4.13 1.78 2.13 -1.26 0.11 120.64 126.76 1mrc n GLU 154 Ca -0.15 0.99 -0.34 0.00 0.66 0.00 0.00 57.16 58.32 1mrc n GLU 154 Cb 0.52 -2.83 -0.14 0.00 0.27 0.00 0.00 31.44 29.26 1mrc n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1mrc s ARG 155 N 0.79 3.44 -0.02 5.31 6.06 0.77 -4.88 118.95 130.41 1mrc s ARG 155 Ca 0.73 -0.61 0.04 0.00 -2.50 0.00 0.00 55.73 53.38 1mrc s ARG 155 Cb -0.50 -2.94 -0.06 0.00 0.06 0.00 0.00 34.95 31.51 1mrc s ARG 155 CO 0.36 -0.05 0.06 0.00 -2.50 0.00 0.00 175.30 173.17 1mrc n GLN 156 N 4.37 1.20 -3.78 5.12 10.64 -1.26 -4.08 117.38 129.59 1mrc n GLN 156 Ca -0.18 -0.03 -0.37 0.00 -1.83 0.00 0.00 57.00 54.60 1mrc n GLN 156 Cb 0.51 -1.10 -0.06 0.00 -0.86 0.00 0.00 30.24 28.74 1mrc n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1mrc s ASN 157 N -2.80 6.45 0.00 2.61 0.02 -1.26 -4.34 114.94 115.63 1mrc s ASN 157 Ca -0.02 0.54 0.00 0.00 -1.02 0.00 0.00 52.86 52.37 1mrc s ASN 157 Cb 0.02 -2.11 0.00 0.00 0.02 0.00 0.00 41.25 39.18 1mrc s ASN 157 CO 0.16 0.36 0.00 0.61 0.02 0.00 0.00 177.10 178.25 1mrc n GLY 158 N 2.15 0.83 3.62 0.66 0.00 -1.26 -4.93 105.19 106.26 1mrc n GLY 158 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1mrc n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrc s VAL 159 N -2.07 4.25 -0.08 1.61 0.11 -1.26 -2.57 120.40 120.38 1mrc s VAL 159 Ca 0.00 -0.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 1mrc s VAL 159 Cb 0.00 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.00 1mrc s VAL 159 CO 0.00 0.55 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.42 1mrc s LEU 160 N -0.33 2.73 -0.08 2.54 1.02 -0.28 -4.94 118.68 119.34 1mrc s LEU 160 Ca 0.07 -0.24 0.03 0.00 0.02 0.00 0.00 54.13 54.00 1mrc s LEU 160 Cb -0.12 -1.58 0.01 0.00 0.02 0.00 0.00 46.19 44.52 1mrc s LEU 160 CO 0.02 0.28 -0.16 0.20 0.02 0.00 0.00 176.35 176.71 1mrc s ASN 161 N -0.33 2.23 -0.05 2.29 0.01 -1.26 -0.72 114.94 117.11 1mrc s ASN 161 Ca 0.03 -0.39 0.04 0.00 -0.71 0.00 0.00 52.86 51.84 1mrc s ASN 161 Cb -0.13 -1.02 -0.00 0.00 0.41 0.00 0.00 41.25 40.51 1mrc s ASN 161 CO 0.02 0.06 -0.18 -0.44 -1.51 0.00 0.00 177.10 175.05 1mrc s SER 162 N 0.65 2.26 0.42 -1.22 0.01 -0.44 -4.97 113.70 110.41 1mrc s SER 162 Ca -0.14 -0.37 0.08 0.00 1.31 0.00 0.00 55.95 56.83 1mrc s SER 162 Cb -0.16 -0.64 -0.00 0.00 0.21 0.00 0.00 66.02 65.42 1mrc s SER 162 CO 0.04 0.16 0.49 0.26 0.41 0.00 0.00 173.24 174.60 1mrc s TRP 163 N 0.04 2.77 0.08 2.43 0.51 -1.26 -0.84 118.94 122.66 1mrc s TRP 163 Ca -0.04 -0.44 0.10 0.00 -2.12 0.00 0.00 56.10 53.60 1mrc s TRP 163 Cb -0.12 -2.30 -0.03 0.00 -0.81 0.00 0.00 33.47 30.21 1mrc s TRP 163 CO 0.02 -0.30 -0.26 0.99 -0.51 0.00 0.00 176.95 176.90 1mrc s THR 164 N -2.40 2.12 0.94 2.01 2.01 -0.98 -4.95 115.64 114.39 1mrc s THR 164 Ca 0.52 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 1mrc s THR 164 Cb -0.07 -1.85 0.16 0.00 0.01 0.00 0.00 72.50 70.75 1mrc s THR 164 CO 0.31 0.22 1.09 -1.81 -0.69 0.00 0.00 174.62 173.74 1mrc s ASP 165 N -1.60 2.97 0.19 3.53 1.01 -1.26 -4.51 116.67 116.99 1mrc s ASP 165 Ca 0.12 1.60 -0.33 0.00 0.71 0.00 0.00 52.55 54.65 1mrc s ASP 165 Cb -0.10 -2.25 -0.13 0.00 1.01 0.00 0.00 42.92 41.45 1mrc s ASP 165 CO 0.04 -2.97 1.63 1.67 0.21 0.00 0.00 175.17 175.74 1mrc n GLN 166 N -4.11 2.40 -2.06 8.23 7.27 -1.26 -4.77 117.38 123.08 1mrc n GLN 166 Ca 0.07 0.87 -0.42 0.00 0.07 0.00 0.00 57.00 57.58 1mrc n GLN 166 Cb 0.55 -2.66 -0.03 0.00 2.41 0.00 0.00 30.24 30.51 1mrc n GLN 166 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1mrc s ASN 167 N 0.97 6.72 0.51 1.69 2.47 -0.00 -4.88 114.94 122.42 1mrc s ASN 167 Ca 0.77 2.33 0.34 0.00 0.42 0.00 0.00 52.86 56.71 1mrc s ASN 167 Cb -0.61 -2.56 1.77 0.00 -1.45 0.00 0.00 41.25 38.40 1mrc s ASN 167 CO 0.36 -0.80 2.04 0.77 -3.72 0.00 0.00 177.10 175.75 1mrc h SER 168 N 8.00 0.00 0.10 -4.21 4.64 -1.89 0.33 113.55 120.52 1mrc h SER 168 Ca -0.41 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.68 1mrc h SER 168 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1mrc h SER 168 CO 0.92 0.00 -1.20 0.11 -0.87 0.00 0.00 176.83 175.78 1mrc h LYS 169 N 0.00 0.21 0.00 4.77 6.56 -1.91 -3.41 116.57 122.79 1mrc h LYS 169 Ca 0.00 -0.36 -0.00 0.00 -1.06 0.00 0.00 60.65 59.23 1mrc h LYS 169 Cb 0.10 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 1mrc h LYS 169 CO 0.00 1.17 -0.44 -0.40 -2.06 0.00 0.00 179.45 177.72 1mrc n ASP 170 N -4.05 0.35 -0.67 0.86 5.75 -1.15 -5.03 116.55 112.62 1mrc n ASP 170 Ca -0.23 -2.16 -0.07 0.00 -0.01 0.00 0.00 54.79 52.33 1mrc n ASP 170 Cb 0.84 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.66 1mrc n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mrc n SER 171 N -0.19 -3.97 -4.86 -1.12 7.64 0.11 -4.94 113.62 106.29 1mrc n SER 171 Ca 0.02 0.17 -0.23 0.00 1.01 0.00 0.00 58.87 59.84 1mrc n SER 171 Cb 0.70 -3.01 0.07 0.00 -1.01 0.00 0.00 64.21 60.96 1mrc n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mrc s THR 172 N -1.41 2.42 0.44 0.44 -4.23 -1.26 -4.61 115.64 107.42 1mrc s THR 172 Ca 0.00 -0.55 0.06 0.00 -1.18 0.00 0.00 61.69 60.02 1mrc s THR 172 Cb 0.00 -2.87 -0.06 0.00 1.34 0.00 0.00 72.50 70.92 1mrc s THR 172 CO 0.00 0.00 0.06 -0.31 -0.54 0.00 0.00 174.62 173.83 1mrc s TYR 173 N -2.99 2.37 0.20 3.99 1.51 0.15 -0.82 117.35 121.76 1mrc s TYR 173 Ca 0.61 -0.72 -0.09 0.00 -1.01 0.00 0.00 57.07 55.86 1mrc s TYR 173 Cb -0.09 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1mrc s TYR 173 CO 0.42 0.32 0.33 -1.12 -1.11 0.00 0.00 175.55 174.39 1mrc s SER 174 N -3.80 0.01 -0.06 2.29 0.01 -1.26 -0.86 113.70 110.02 1mrc s SER 174 Ca 0.30 -0.99 -0.31 0.00 1.31 0.00 0.00 55.95 56.27 1mrc s SER 174 Cb 0.07 0.48 0.08 0.00 0.21 0.00 0.00 66.02 66.86 1mrc s SER 174 CO 0.16 -0.98 0.72 -0.32 0.41 0.00 0.00 173.24 173.23 1mrc s MET 175 N -4.02 1.01 -0.05 12.44 0.00 -0.58 -2.32 119.30 125.77 1mrc s MET 175 Ca 0.23 0.22 0.05 0.00 0.00 0.00 0.00 55.69 56.20 1mrc s MET 175 Cb 0.02 0.48 -0.01 0.00 0.00 0.00 0.00 34.83 35.32 1mrc s MET 175 CO 0.06 -0.32 -0.21 -1.54 0.00 0.00 0.00 175.02 173.01 1mrc s SER 176 N -1.23 2.63 -0.10 1.11 1.04 -0.02 -1.03 113.70 116.10 1mrc s SER 176 Ca -0.10 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1mrc s SER 176 Cb -0.00 -0.73 0.01 0.00 0.10 0.00 0.00 66.02 65.39 1mrc s SER 176 CO 0.08 0.20 -0.20 -0.55 0.98 0.00 0.00 173.24 173.76 1mrc s SER 177 N -0.06 2.74 -0.17 7.02 0.15 0.18 -1.33 113.70 122.22 1mrc s SER 177 Ca -0.04 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1mrc s SER 177 Cb -0.13 -1.25 0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1mrc s SER 177 CO 0.03 0.09 -0.09 -0.89 1.20 0.00 0.00 173.24 173.58 1mrc s THR 178 N 0.64 1.43 -0.30 6.45 2.01 0.10 -0.56 115.64 125.41 1mrc s THR 178 Ca -0.13 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 1mrc s THR 178 Cb -0.16 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1mrc s THR 178 CO 0.03 0.23 0.31 -0.22 -0.69 0.00 0.00 174.62 174.28 1mrc s LEU 179 N 1.51 4.17 -0.09 4.42 2.96 -0.17 -1.13 118.68 130.34 1mrc s LEU 179 Ca 0.01 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1mrc s LEU 179 Cb -0.15 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1mrc s LEU 179 CO -0.09 -0.19 -0.14 0.28 -1.32 0.00 0.00 176.35 174.90 1mrc s THR 180 N 1.94 3.05 0.30 3.68 -1.32 -1.06 0.11 115.64 122.33 1mrc s THR 180 Ca 0.11 -0.69 0.02 0.00 -1.21 0.00 0.00 61.69 59.92 1mrc s THR 180 Cb -0.16 -2.24 -0.02 0.00 -1.51 0.00 0.00 72.50 68.56 1mrc s THR 180 CO 0.11 0.55 0.30 -0.76 -2.21 0.00 0.00 174.62 172.61 1mrc s LEU 181 N -0.13 1.39 0.72 9.08 1.02 0.71 -4.88 118.68 126.59 1mrc s LEU 181 Ca -0.01 -1.58 -0.10 0.00 0.02 0.00 0.00 54.13 52.46 1mrc s LEU 181 Cb -0.14 0.78 0.05 0.00 0.02 0.00 0.00 46.19 46.90 1mrc s LEU 181 CO 0.03 -1.07 1.08 0.42 0.02 0.00 0.00 176.35 176.83 1mrc s THR 182 N -3.54 2.71 0.17 5.49 -4.23 -1.26 0.22 115.64 115.21 1mrc s THR 182 Ca 0.37 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.81 1mrc s THR 182 Cb 0.03 -3.20 0.06 0.00 1.34 0.00 0.00 72.50 70.73 1mrc s THR 182 CO 0.22 -0.24 1.78 0.50 -0.54 0.00 0.00 174.62 176.34 1mrc h LYS 183 N -0.71 0.43 0.25 3.99 3.11 -1.07 -1.77 116.57 120.82 1mrc h LYS 183 Ca -0.45 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.35 1mrc h LYS 183 Cb 1.30 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1mrc h LYS 183 CO 0.63 0.29 -0.12 -0.44 -2.81 0.00 0.00 179.45 177.00 1mrc h ASP 184 N 0.45 -0.28 -0.48 4.20 5.19 -1.93 0.24 116.42 123.80 1mrc h ASP 184 Ca 0.21 -0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.63 1mrc h ASP 184 Cb 0.13 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.65 1mrc h ASP 184 CO -0.16 -0.12 0.14 -0.33 -3.12 0.00 0.00 179.24 175.66 1mrc h GLU 185 N -0.43 0.29 -0.37 3.56 5.08 -1.93 -2.21 114.58 118.57 1mrc h GLU 185 Ca -0.03 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1mrc h GLU 185 Cb 0.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1mrc h GLU 185 CO 0.06 0.19 0.18 -0.92 -1.00 0.00 0.00 179.01 177.52 1mrc h TYR 186 N 0.30 0.34 0.00 4.33 3.20 -0.90 -2.11 116.97 122.13 1mrc h TYR 186 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1mrc h TYR 186 Cb 0.27 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1mrc h TYR 186 CO -0.18 0.18 0.00 0.93 -1.64 0.00 0.00 178.16 177.45 1mrc h GLU 187 N 0.38 0.00 0.00 1.82 4.39 -0.04 -2.79 114.58 118.34 1mrc h GLU 187 Ca 0.16 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 1mrc h GLU 187 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1mrc h GLU 187 CO -0.11 0.00 -0.24 0.00 -1.16 0.00 0.00 179.01 177.50 1mrc h ARG 188 N 0.00 0.00 -6.06 2.33 3.08 -0.79 -3.47 114.38 109.47 1mrc h ARG 188 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1mrc h ARG 188 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1mrc h ARG 188 CO 0.00 0.24 -0.31 -1.01 -1.07 0.00 0.00 179.97 177.82 1mrc s HIS 189 N -3.23 1.89 0.03 3.04 3.76 -1.05 -5.10 115.29 114.62 1mrc s HIS 189 Ca 0.04 -0.74 -0.02 0.00 -0.15 0.00 0.00 55.06 54.19 1mrc s HIS 189 Cb 0.07 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1mrc s HIS 189 CO 0.68 -0.44 -0.04 0.09 -0.85 0.00 0.00 174.74 174.19 1mrc n ASN 190 N -1.74 0.80 -4.76 1.40 4.13 -1.26 -4.77 115.26 109.06 1mrc n ASN 190 Ca 0.01 0.11 -0.38 0.00 1.68 0.00 0.00 54.58 56.00 1mrc n ASN 190 Cb 0.63 -0.30 -0.06 0.00 -1.54 0.00 0.00 39.78 38.52 1mrc n ASN 190 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1mrc s SER 191 N -5.55 6.88 -0.18 6.41 0.01 -1.26 0.02 113.70 120.02 1mrc s SER 191 Ca -0.03 1.05 0.01 0.00 1.31 0.00 0.00 55.95 58.28 1mrc s SER 191 Cb 0.00 -2.33 0.03 0.00 0.21 0.00 0.00 66.02 63.94 1mrc s SER 191 CO 0.05 0.09 -0.12 -0.31 0.41 0.00 0.00 173.24 173.36 1mrc s TYR 192 N -0.04 2.38 -0.01 2.43 1.51 -0.82 -1.17 117.35 121.63 1mrc s TYR 192 Ca 0.29 -1.49 0.07 0.00 -1.01 0.00 0.00 57.07 54.93 1mrc s TYR 192 Cb -0.17 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1mrc s TYR 192 CO 0.15 -0.73 -0.21 0.99 -1.11 0.00 0.00 175.55 174.65 1mrc s THR 193 N 1.41 2.53 -0.21 -0.71 2.01 -0.37 -2.05 115.64 118.25 1mrc s THR 193 Ca 0.01 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1mrc s THR 193 Cb -0.15 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.42 1mrc s THR 193 CO -0.09 0.50 -0.16 0.00 -0.69 0.00 0.00 174.62 174.17 1mrc s GLU 195 N 1.22 3.22 -0.09 0.00 2.02 -0.01 -0.79 118.70 124.27 1mrc s GLU 195 Ca -0.01 -0.71 0.03 0.00 0.02 0.00 0.00 54.97 54.30 1mrc s GLU 195 Cb -0.16 -2.55 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1mrc s GLU 195 CO -0.10 0.26 -0.16 0.00 0.02 0.00 0.00 175.26 175.28 1mrc s ALA 196 N 0.20 1.64 -0.28 5.21 0.00 0.11 -0.29 121.76 128.35 1mrc s ALA 196 Ca -0.09 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 1mrc s ALA 196 Cb -0.15 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1mrc s ALA 196 CO 0.05 0.11 0.09 0.99 0.00 0.00 0.00 175.76 177.00 1mrc s THR 197 N 0.67 4.21 -0.00 0.00 2.01 -0.10 -0.56 115.64 121.87 1mrc s THR 197 Ca -0.13 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1mrc s THR 197 Cb -0.16 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.26 1mrc s THR 197 CO 0.04 0.18 -0.02 -2.28 -0.69 0.00 0.00 174.62 171.85 1mrc s HIS 198 N 1.57 0.18 0.59 4.92 5.04 -1.26 -1.89 115.29 124.43 1mrc s HIS 198 Ca 0.04 -0.03 0.29 0.00 -1.54 0.00 0.00 55.06 53.82 1mrc s HIS 198 Cb -0.16 -0.12 1.49 0.00 0.04 0.00 0.00 32.58 33.82 1mrc s HIS 198 CO 0.03 -0.01 1.91 1.57 -2.34 0.00 0.00 174.74 175.91 1mrc h LYS 199 N 6.15 0.00 0.00 2.88 5.09 -1.97 -0.51 116.57 128.21 1mrc h LYS 199 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.48 1mrc h LYS 199 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.53 1mrc h LYS 199 CO 0.51 0.00 0.00 0.25 -2.09 0.00 0.00 179.45 178.12 1mrc n THR 200 N -3.71 0.68 -3.75 0.07 -2.24 -1.26 -4.54 114.28 99.53 1mrc n THR 200 Ca 0.08 0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1mrc n THR 200 Cb 0.64 -1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 1mrc n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1mrc s SER 201 N -2.50 -0.25 0.13 3.42 0.15 -0.20 -5.00 113.70 109.45 1mrc s SER 201 Ca 0.10 0.50 -0.10 0.00 0.70 0.00 0.00 55.95 57.15 1mrc s SER 201 Cb 0.07 0.43 -0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1mrc s SER 201 CO 0.15 -0.14 1.38 0.71 1.20 0.00 0.00 173.24 176.53 1mrc h THR 202 N 5.52 1.29 -3.33 6.45 1.35 -1.80 -3.40 112.91 119.00 1mrc h THR 202 Ca -0.36 -1.86 -0.59 0.00 -0.55 0.00 0.00 66.41 63.05 1mrc h THR 202 Cb 1.17 1.81 -0.10 0.00 -1.73 0.00 0.00 68.15 69.30 1mrc h THR 202 CO 0.37 0.59 -0.30 -0.94 -0.25 0.00 0.00 175.52 175.00 1mrc s SER 203 N -7.02 6.45 0.42 5.36 1.04 -1.26 -5.02 113.70 113.67 1mrc s SER 203 Ca -0.10 0.52 -0.26 0.00 0.48 0.00 0.00 55.95 56.60 1mrc s SER 203 Cb 0.10 -2.19 -0.10 0.00 0.10 0.00 0.00 66.02 63.92 1mrc s SER 203 CO 0.89 0.07 1.25 -0.81 0.98 0.00 0.00 173.24 175.62 1mrc n PRO 204 N 3.71 1.89 -2.80 4.02 -0.04 -1.26 -4.93 135.00 135.59 1mrc n PRO 204 Ca -0.11 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.61 1mrc n PRO 204 Cb 0.52 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1mrc n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1mrc s ILE 205 N -1.20 4.87 0.20 0.52 1.09 0.28 -4.84 121.20 122.13 1mrc s ILE 205 Ca 0.61 1.84 0.10 0.00 -1.10 0.00 0.00 60.65 62.11 1mrc s ILE 205 Cb -0.52 -4.23 -0.04 0.00 -1.06 0.00 0.00 42.46 36.61 1mrc s ILE 205 CO 0.58 0.08 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.61 1mrc s VAL 206 N 1.64 2.18 -0.19 2.92 1.01 -1.26 0.04 120.40 126.74 1mrc s VAL 206 Ca 0.45 -2.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.21 1mrc s VAL 206 Cb -0.18 -2.07 0.06 0.00 0.00 0.00 0.00 36.38 34.19 1mrc s VAL 206 CO 0.19 -0.26 0.48 -0.75 0.00 0.00 0.00 175.10 174.75 1mrc s LYS 207 N -2.94 0.50 0.25 2.72 2.47 0.03 -4.98 119.74 117.79 1mrc s LYS 207 Ca 0.21 0.82 -0.04 0.00 -1.56 0.00 0.00 55.97 55.41 1mrc s LYS 207 Cb -0.06 0.11 -0.02 0.00 -1.46 0.00 0.00 37.83 36.39 1mrc s LYS 207 CO 0.10 -0.13 0.30 -1.12 0.16 0.00 0.00 175.35 174.66 1mrc s SER 208 N 1.04 0.38 -0.08 1.43 0.01 -1.26 -0.20 113.70 115.02 1mrc s SER 208 Ca -0.06 -1.32 -0.13 0.00 1.31 0.00 0.00 55.95 55.74 1mrc s SER 208 Cb -0.06 0.50 0.03 0.00 0.21 0.00 0.00 66.02 66.70 1mrc s SER 208 CO -0.09 -1.02 0.34 0.72 0.41 0.00 0.00 173.24 173.59 1mrc s PHE 209 N -3.87 -0.30 -0.12 2.43 -0.12 -0.87 -5.00 117.98 110.13 1mrc s PHE 209 Ca 0.33 0.67 -0.06 0.00 -0.05 0.00 0.00 56.93 57.82 1mrc s PHE 209 Cb 0.03 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1mrc s PHE 209 CO 0.14 -0.27 0.12 -0.80 -0.05 0.00 0.00 175.22 174.36 1mrc s ASN 210 N -0.42 6.22 0.00 1.98 0.01 -1.26 -1.95 114.94 119.52 1mrc s ASN 210 Ca -0.05 0.42 0.32 0.00 -0.71 0.00 0.00 52.86 52.84 1mrc s ASN 210 Cb -0.04 -1.99 1.88 0.00 0.41 0.00 0.00 41.25 41.52 1mrc s ASN 210 CO 0.02 0.40 2.21 -1.14 -1.51 0.00 0.00 177.10 177.09