#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1om3 n VAL 2 N 0.00 -1.89 -4.19 2.62 0.31 -1.26 -5.08 118.33 108.84 1om3 n VAL 2 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1om3 n VAL 2 Cb 0.00 -2.47 -0.13 0.00 -0.91 0.00 0.00 33.84 30.32 1om3 n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1om3 s GLN 3 N -1.29 0.57 0.01 5.55 -0.21 -0.77 -4.99 119.66 118.53 1om3 s GLN 3 Ca 0.00 -0.46 0.08 0.00 0.02 0.00 0.00 55.36 55.01 1om3 s GLN 3 Cb 0.00 -0.49 -0.02 0.00 1.00 0.00 0.00 33.01 33.49 1om3 s GLN 3 CO 0.00 0.12 -0.25 -0.51 -2.12 0.00 0.00 175.29 172.53 1om3 s LEU 4 N -0.71 2.16 -0.11 2.90 1.02 -1.26 -0.27 118.68 122.42 1om3 s LEU 4 Ca -0.01 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 53.62 1om3 s LEU 4 Cb -0.05 -1.33 0.03 0.00 0.02 0.00 0.00 46.19 44.85 1om3 s LEU 4 CO 0.00 0.29 -0.05 -0.69 0.02 0.00 0.00 176.35 175.92 1om3 s VAL 5 N -0.72 0.87 0.46 -1.59 1.01 -0.19 -4.15 120.40 116.09 1om3 s VAL 5 Ca 0.11 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.69 1om3 s VAL 5 Cb -0.10 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 1om3 s VAL 5 CO 0.01 0.31 0.93 -1.61 0.00 0.00 0.00 175.10 174.74 1om3 s GLU 6 N 1.77 4.03 0.07 2.72 8.01 -1.26 -1.42 118.70 132.61 1om3 s GLU 6 Ca 0.05 0.94 -0.10 0.00 0.01 0.00 0.00 54.97 55.87 1om3 s GLU 6 Cb -0.13 -2.20 0.00 0.00 -4.31 0.00 0.00 34.13 27.50 1om3 s GLU 6 CO -0.07 -0.14 0.21 -1.54 0.01 0.00 0.00 175.26 173.73 1om3 s SER 7 N -2.73 0.05 0.00 -0.19 1.04 0.44 -4.89 113.70 107.43 1om3 s SER 7 Ca 0.59 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1om3 s SER 7 Cb -0.10 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1om3 s SER 7 CO 0.24 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1om3 n GLY 8 N 0.24 0.62 3.52 7.32 0.00 -1.26 -1.38 105.19 114.24 1om3 n GLY 8 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1om3 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1om3 s GLY 9 N -1.05 1.58 0.00 -0.02 0.00 -1.26 -4.76 107.32 101.81 1om3 s GLY 9 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1om3 s GLY 9 CO 0.00 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.43 1om3 n GLY 10 N 0.76 -0.64 3.70 0.20 0.00 -0.77 -4.98 105.19 103.47 1om3 n GLY 10 Ca 0.05 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1om3 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1om3 s LEU 11 N 0.00 4.01 0.05 0.99 2.96 -1.26 -1.46 118.68 123.97 1om3 s LEU 11 Ca 0.00 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1om3 s LEU 11 Cb 0.00 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1om3 s LEU 11 CO 0.00 0.21 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.46 1om3 s VAL 12 N 0.15 0.65 0.13 1.68 1.01 -0.20 -4.98 120.40 118.84 1om3 s VAL 12 Ca 0.07 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1om3 s VAL 12 Cb -0.12 -0.69 -0.07 0.00 0.00 0.00 0.00 36.38 35.50 1om3 s VAL 12 CO -0.00 -0.34 0.50 -0.54 0.00 0.00 0.00 175.10 174.72 1om3 s LYS 13 N -1.57 3.91 0.24 2.72 1.02 -1.26 -0.60 119.74 124.20 1om3 s LYS 13 Ca -0.08 0.40 -0.30 0.00 0.02 0.00 0.00 55.97 56.00 1om3 s LYS 13 Cb -0.10 -2.95 -0.15 0.00 -0.52 0.00 0.00 37.83 34.11 1om3 s LYS 13 CO 0.01 0.50 1.12 0.00 -0.92 0.00 0.00 175.35 176.06 1om3 n ALA 14 N 0.84 -0.25 0.00 5.17 0.00 -0.34 -0.56 120.51 125.37 1om3 n ALA 14 Ca -0.06 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1om3 n ALA 14 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1om3 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1om3 n GLY 15 N 1.65 2.16 3.13 0.00 0.00 0.12 -4.47 105.19 107.79 1om3 n GLY 15 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1om3 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om3 n GLY 16 N -2.00 -1.42 3.28 -0.02 0.00 0.27 -4.01 105.19 101.30 1om3 n GLY 16 Ca 0.00 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.08 1om3 n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1om3 s SER 17 N -4.95 2.47 -0.11 1.61 0.01 -1.26 -1.83 113.70 109.64 1om3 s SER 17 Ca 0.61 -0.69 -0.16 0.00 1.31 0.00 0.00 55.95 57.02 1om3 s SER 17 Cb -0.02 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.12 1om3 s SER 17 CO 0.43 0.04 0.41 -0.22 0.41 0.00 0.00 173.24 174.31 1om3 s LEU 18 N -1.95 0.44 -0.07 2.44 2.96 -0.42 -5.03 118.68 117.05 1om3 s LEU 18 Ca 0.06 0.64 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 1om3 s LEU 18 Cb -0.10 1.48 -0.00 0.00 0.50 0.00 0.00 46.19 48.07 1om3 s LEU 18 CO 0.04 -0.26 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.96 1om3 s ILE 19 N -0.29 1.86 0.13 6.68 1.09 -1.26 -1.27 121.20 128.14 1om3 s ILE 19 Ca -0.04 -0.93 0.06 0.00 -1.10 0.00 0.00 60.65 58.64 1om3 s ILE 19 Cb -0.03 -1.60 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 1om3 s ILE 19 CO 0.02 0.52 -0.02 -0.76 -0.10 0.00 0.00 174.94 174.60 1om3 s LEU 20 N 0.15 3.33 0.17 2.97 1.43 -0.19 -4.69 118.68 121.85 1om3 s LEU 20 Ca -0.11 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1om3 s LEU 20 Cb -0.15 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1om3 s LEU 20 CO 0.06 0.13 -0.14 -0.94 0.23 0.00 0.00 176.35 175.69 1om3 s SER 21 N -2.59 2.31 -0.08 2.29 1.04 -0.48 -0.24 113.70 115.94 1om3 s SER 21 Ca 0.26 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.76 1om3 s SER 21 Cb -0.10 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.93 1om3 s SER 21 CO 0.18 -0.17 -0.10 0.00 0.98 0.00 0.00 173.24 174.12 1om3 s GLY 23 N 1.05 2.01 0.17 0.00 0.00 -0.51 -1.13 107.32 108.92 1om3 s GLY 23 Ca -0.07 -1.85 0.03 0.00 0.00 0.00 0.00 44.72 42.83 1om3 s GLY 23 CO -0.01 -1.73 -0.03 -1.34 0.00 0.00 0.00 173.10 169.99 1om3 s VAL 24 N -2.44 0.84 0.01 1.40 -7.23 -1.25 -1.02 120.40 110.71 1om3 s VAL 24 Ca 0.41 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1om3 s VAL 24 Cb -0.02 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1om3 s VAL 24 CO 0.25 -0.54 -0.06 -0.44 -0.31 0.00 0.00 175.10 173.99 1om3 s SER 25 N -3.18 0.66 0.00 4.85 0.01 0.63 -4.91 113.70 111.76 1om3 s SER 25 Ca 0.22 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1om3 s SER 25 Cb 0.05 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1om3 s SER 25 CO 0.03 0.00 0.00 0.59 0.41 0.00 0.00 173.24 174.28 1om3 n ASN 26 N 2.62 -3.99 -3.95 2.44 3.02 -1.26 -1.85 115.26 112.29 1om3 n ASN 26 Ca -0.15 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.31 1om3 n ASN 26 Cb 0.57 -1.95 -0.05 0.00 -0.61 0.00 0.00 39.78 37.74 1om3 n ASN 26 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1om3 s PHE 27 N -1.60 0.25 -0.12 3.10 -0.12 -1.26 -4.74 117.98 113.48 1om3 s PHE 27 Ca 0.00 -0.62 -0.04 0.00 -0.05 0.00 0.00 56.93 56.22 1om3 s PHE 27 Cb 0.00 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 1om3 s PHE 27 CO 0.00 -0.99 0.04 1.03 -0.05 0.00 0.00 175.22 175.26 1om3 s ARG 28 N -3.99 3.39 0.48 1.99 0.52 -1.26 -4.97 118.95 115.11 1om3 s ARG 28 Ca 0.19 -0.34 0.27 0.00 -0.52 0.00 0.00 55.73 55.33 1om3 s ARG 28 Cb -0.01 -2.99 0.93 0.00 0.52 0.00 0.00 34.95 33.40 1om3 s ARG 28 CO 0.07 0.57 1.82 -0.84 0.02 0.00 0.00 175.30 176.94 1om3 h ILE 29 N 4.38 0.23 -1.02 1.52 -2.65 -1.93 -3.39 117.51 114.65 1om3 h ILE 29 Ca -0.47 -0.91 0.25 0.00 1.03 0.00 0.00 64.86 64.76 1om3 h ILE 29 Cb 1.19 1.75 -0.09 0.00 -2.05 0.00 0.00 36.82 37.62 1om3 h ILE 29 CO 0.60 0.10 0.65 0.77 0.03 0.00 0.00 178.15 180.30 1om3 h SER 30 N 0.00 0.49 -0.44 2.16 4.64 -1.96 0.35 113.55 118.79 1om3 h SER 30 Ca -0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1om3 h SER 30 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1om3 h SER 30 CO 0.01 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1om3 n ALA 31 N -2.45 2.87 -3.03 5.18 0.00 -1.26 -4.59 120.51 117.23 1om3 n ALA 31 Ca 0.25 -1.04 -0.28 0.00 0.00 0.00 0.00 53.44 52.36 1om3 n ALA 31 Cb 0.82 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.09 1om3 n ALA 31 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1om3 s HIS 32 N -1.71 2.01 0.14 0.00 3.76 0.11 -4.10 115.29 115.50 1om3 s HIS 32 Ca 0.34 -0.67 -0.31 0.00 -0.15 0.00 0.00 55.06 54.27 1om3 s HIS 32 Cb 0.22 -1.35 -0.09 0.00 1.11 0.00 0.00 32.58 32.46 1om3 s HIS 32 CO 0.17 -0.25 1.55 0.99 -0.85 0.00 0.00 174.74 176.35 1om3 s THR 33 N 0.16 2.79 0.08 1.30 2.01 -1.20 -4.38 115.64 116.40 1om3 s THR 33 Ca -0.09 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.49 1om3 s THR 33 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1om3 s THR 33 CO 0.04 0.04 -0.00 -0.04 -0.69 0.00 0.00 174.62 173.97 1om3 s MET 34 N 1.32 2.57 0.03 4.92 1.00 -0.40 -1.91 119.30 126.82 1om3 s MET 34 Ca 0.70 -0.81 -0.07 0.00 0.00 0.00 0.00 55.69 55.50 1om3 s MET 34 Cb -0.42 -2.55 -0.00 0.00 0.00 0.00 0.00 34.83 31.85 1om3 s MET 34 CO 0.31 0.55 0.14 -0.80 0.00 0.00 0.00 175.02 175.22 1om3 s ASN 35 N -2.21 0.09 -0.07 3.03 0.01 -0.38 -0.64 114.94 114.78 1om3 s ASN 35 Ca 0.25 -0.37 0.05 0.00 -0.71 0.00 0.00 52.86 52.08 1om3 s ASN 35 Cb -0.12 0.23 -0.01 0.00 0.41 0.00 0.00 41.25 41.77 1om3 s ASN 35 CO 0.17 -0.47 -0.24 0.26 -1.51 0.00 0.00 177.10 175.32 1om3 s TRP 36 N -2.14 2.49 0.05 2.20 0.52 0.61 -0.62 118.94 122.05 1om3 s TRP 36 Ca -0.09 -0.71 0.02 0.00 0.02 0.00 0.00 56.10 55.35 1om3 s TRP 36 Cb -0.04 -1.62 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 1om3 s TRP 36 CO -0.02 -0.21 -0.08 0.08 0.02 0.00 0.00 176.95 176.74 1om3 s VAL 37 N -0.13 0.59 0.03 4.03 1.01 -0.58 -1.17 120.40 124.18 1om3 s VAL 37 Ca -0.04 -1.15 0.05 0.00 0.00 0.00 0.00 61.98 60.83 1om3 s VAL 37 Cb -0.14 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1om3 s VAL 37 CO 0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 175.10 174.60 1om3 s ARG 38 N -1.73 0.91 -0.30 2.72 1.70 0.56 -0.75 118.95 122.05 1om3 s ARG 38 Ca -0.08 -0.72 -0.11 0.00 -0.47 0.00 0.00 55.73 54.35 1om3 s ARG 38 Cb -0.09 -0.90 -0.03 0.00 -0.57 0.00 0.00 34.95 33.36 1om3 s ARG 38 CO 0.00 0.22 0.19 0.50 -1.08 0.00 0.00 175.30 175.14 1om3 s ARG 39 N -1.07 3.66 0.62 3.89 3.52 0.84 -0.26 118.95 130.16 1om3 s ARG 39 Ca 0.01 -0.51 -0.07 0.00 -0.13 0.00 0.00 55.73 55.03 1om3 s ARG 39 Cb -0.08 -3.67 0.02 0.00 -1.56 0.00 0.00 34.95 29.65 1om3 s ARG 39 CO 0.01 -0.32 0.95 0.14 -0.81 0.00 0.00 175.30 175.27 1om3 s VAL 40 N 1.71 3.48 0.24 7.11 -7.23 -0.26 -1.33 120.40 124.12 1om3 s VAL 40 Ca 0.06 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 1om3 s VAL 40 Cb -0.17 -3.41 -0.09 0.00 0.56 0.00 0.00 36.38 33.27 1om3 s VAL 40 CO 0.10 -0.44 1.36 -2.84 -0.31 0.00 0.00 175.10 172.96 1om3 s PRO 41 N -5.08 4.34 0.00 4.82 0.02 -1.26 -1.72 135.00 136.11 1om3 s PRO 41 Ca 0.55 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1om3 s PRO 41 Cb -0.11 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1om3 s PRO 41 CO 0.46 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 1om3 n GLY 42 N 2.10 1.77 0.00 0.52 0.00 -1.26 -4.77 105.19 103.54 1om3 n GLY 42 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1om3 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om3 n GLY 43 N -1.55 1.69 3.77 -0.02 0.00 -0.70 -5.06 105.19 103.32 1om3 n GLY 43 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1om3 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1om3 s GLY 44 N -2.38 2.93 0.13 -0.02 0.00 -1.26 -4.79 107.32 101.94 1om3 s GLY 44 Ca 0.00 1.08 -0.10 0.00 0.00 0.00 0.00 44.72 45.69 1om3 s GLY 44 CO 0.00 1.64 0.47 1.08 0.00 0.00 0.00 173.10 176.29 1om3 s LEU 45 N -2.25 4.30 -0.05 0.66 1.43 -1.26 -1.10 118.68 120.41 1om3 s LEU 45 Ca 0.54 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1om3 s LEU 45 Cb -0.34 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1om3 s LEU 45 CO 0.44 0.09 0.04 -1.61 0.23 0.00 0.00 176.35 175.54 1om3 s GLU 46 N -2.19 0.15 0.24 1.70 2.02 0.65 -4.97 118.70 116.30 1om3 s GLU 46 Ca 0.38 0.28 -0.31 0.00 0.02 0.00 0.00 54.97 55.35 1om3 s GLU 46 Cb -0.13 -0.65 -0.11 0.00 0.10 0.00 0.00 34.13 33.33 1om3 s GLU 46 CO 0.20 -0.31 1.57 -0.46 0.02 0.00 0.00 175.26 176.27 1om3 s TRP 47 N 2.06 2.91 -0.13 1.61 -0.00 -1.26 -0.32 118.94 123.80 1om3 s TRP 47 Ca 0.04 0.74 -0.10 0.00 -0.00 0.00 0.00 56.10 56.79 1om3 s TRP 47 Cb -0.12 -3.99 -0.06 0.00 -0.00 0.00 0.00 33.47 29.30 1om3 s TRP 47 CO -0.04 -3.45 -0.22 0.28 -0.00 0.00 0.00 176.95 173.53 1om3 n VAL 48 N 2.87 1.14 -3.53 5.86 0.31 -0.32 -4.56 118.33 120.10 1om3 n VAL 48 Ca 0.10 -0.03 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 1om3 n VAL 48 Cb 0.38 -1.87 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 1om3 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1om3 s ALA 49 N -2.42 -1.79 0.00 3.52 0.00 -0.91 -1.47 121.76 118.69 1om3 s ALA 49 Ca -0.21 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1om3 s ALA 49 Cb 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1om3 s ALA 49 CO 0.29 -0.38 -0.03 -1.12 0.00 0.00 0.00 175.76 174.51 1om3 s SER 50 N -1.25 0.37 -0.08 0.00 0.01 -0.35 -0.28 113.70 112.12 1om3 s SER 50 Ca -0.09 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.04 1om3 s SER 50 Cb -0.00 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.23 1om3 s SER 50 CO 0.07 -0.02 -0.09 -0.51 0.41 0.00 0.00 173.24 173.10 1om3 s ILE 51 N -0.34 1.02 0.90 1.44 1.10 0.19 -1.06 121.20 124.45 1om3 s ILE 51 Ca -0.02 -0.35 -0.13 0.00 -0.51 0.00 0.00 60.65 59.64 1om3 s ILE 51 Cb -0.03 -0.98 0.13 0.00 0.15 0.00 0.00 42.46 41.73 1om3 s ILE 51 CO -0.00 0.35 1.18 -0.94 -2.11 0.00 0.00 174.94 173.41 1om3 s SER 52 N 1.15 3.67 0.63 4.50 1.04 -0.80 -1.28 113.70 122.61 1om3 s SER 52 Ca -0.06 0.78 -0.18 0.00 0.48 0.00 0.00 55.95 56.97 1om3 s SER 52 Cb -0.14 -1.23 -0.03 0.00 0.10 0.00 0.00 66.02 64.72 1om3 s SER 52 CO -0.02 -2.43 1.12 0.35 0.98 0.00 0.00 173.24 173.25 1om3 n THR 52 N -3.66 4.37 -1.19 2.02 -2.24 -1.26 -1.73 114.28 110.60 1om3 n THR 52 Ca 0.09 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1om3 n THR 52 Cb 0.60 -1.31 -0.04 0.00 -2.10 0.00 0.00 70.33 67.48 1om3 n THR 52 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1om3 n SER 53 N -1.37 -2.97 -2.22 3.42 7.64 -1.26 -2.68 113.62 114.18 1om3 n SER 53 Ca 0.15 0.23 -0.16 0.00 1.01 0.00 0.00 58.87 60.10 1om3 n SER 53 Cb 0.48 -2.69 -0.02 0.00 -1.01 0.00 0.00 64.21 60.97 1om3 n SER 53 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1om3 n SER 54 N -0.07 -4.59 -0.07 6.43 7.64 -0.71 -4.87 113.62 117.40 1om3 n SER 54 Ca -0.09 0.17 0.01 0.00 1.01 0.00 0.00 58.87 59.97 1om3 n SER 54 Cb 0.35 -3.92 0.31 0.00 -1.01 0.00 0.00 64.21 59.94 1om3 n SER 54 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1om3 h THR 55 N 0.00 1.17 -4.11 0.44 1.35 -1.69 -3.43 112.91 106.64 1om3 h THR 55 Ca -0.36 -0.48 -0.45 0.00 -0.55 0.00 0.00 66.41 64.56 1om3 h THR 55 Cb 1.22 0.56 -0.27 0.00 -1.73 0.00 0.00 68.15 67.93 1om3 h THR 55 CO 0.45 0.20 -0.80 -0.31 -0.25 0.00 0.00 175.52 174.81 1om3 s TYR 56 N -5.38 1.18 -0.11 4.73 1.51 -1.26 -5.04 117.35 112.98 1om3 s TYR 56 Ca -0.09 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 1om3 s TYR 56 Cb 0.17 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 41.30 1om3 s TYR 56 CO 0.76 0.00 -0.12 1.03 -1.11 0.00 0.00 175.55 176.12 1om3 s ARG 57 N -0.65 1.88 -0.03 -0.62 0.52 -1.26 -1.91 118.95 116.88 1om3 s ARG 57 Ca 0.03 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 1om3 s ARG 57 Cb -0.06 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.66 1om3 s ARG 57 CO 0.00 -0.16 -0.20 -0.51 0.02 0.00 0.00 175.30 174.45 1om3 s ASP 58 N 1.31 2.44 0.05 0.23 1.01 -0.23 -4.98 116.67 116.50 1om3 s ASP 58 Ca -0.01 -0.39 0.06 0.00 0.71 0.00 0.00 52.55 52.92 1om3 s ASP 58 Cb -0.14 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 1om3 s ASP 58 CO -0.05 0.23 -0.16 -0.31 0.21 0.00 0.00 175.17 175.08 1om3 s TYR 59 N -0.30 1.42 0.76 4.23 1.51 -1.26 -1.21 117.35 122.49 1om3 s TYR 59 Ca 0.03 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.57 1om3 s TYR 59 Cb -0.10 -0.83 0.05 0.00 -0.11 0.00 0.00 41.96 40.98 1om3 s TYR 59 CO 0.01 0.07 1.17 0.00 -1.11 0.00 0.00 175.55 175.69 1om3 s ALA 60 N -0.95 2.07 0.21 3.71 0.00 -0.54 -4.81 121.76 121.45 1om3 s ALA 60 Ca 0.03 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 52.60 1om3 s ALA 60 Cb -0.09 -3.42 0.24 0.00 0.00 0.00 0.00 23.12 19.85 1om3 s ALA 60 CO 0.02 -1.93 1.79 -0.44 0.00 0.00 0.00 175.76 175.20 1om3 h ASP 61 N -0.62 0.46 0.31 0.00 5.19 -1.92 -2.37 116.42 117.46 1om3 h ASP 61 Ca -0.46 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1om3 h ASP 61 Cb 1.28 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1om3 h ASP 61 CO 0.49 0.29 0.00 0.00 -3.12 0.00 0.00 179.24 176.90 1om3 n ALA 62 N -2.37 1.33 0.07 3.45 0.00 -1.26 -2.99 120.51 118.74 1om3 n ALA 62 Ca 0.08 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.61 1om3 n ALA 62 Cb 0.20 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1om3 n ALA 62 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1om3 n VAL 63 N -1.97 0.00 -1.68 0.00 0.24 -0.94 -4.99 118.33 108.99 1om3 n VAL 63 Ca 0.01 -0.47 -0.45 0.00 -2.04 0.00 0.00 64.34 61.39 1om3 n VAL 63 Cb 0.11 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.45 1om3 n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1om3 n LYS 64 N -0.88 2.31 0.00 7.34 4.81 -0.94 -1.26 118.16 129.54 1om3 n LYS 64 Ca 0.00 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1om3 n LYS 64 Cb 0.03 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.46 1om3 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1om3 n GLY 65 N 3.46 2.46 0.05 3.14 0.00 -1.26 -4.81 105.19 108.22 1om3 n GLY 65 Ca 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 1om3 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1om3 n ARG 66 N -2.00 2.26 -4.22 1.61 1.74 -0.39 -5.03 116.66 110.62 1om3 n ARG 66 Ca 0.00 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1om3 n ARG 66 Cb 0.00 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 1om3 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1om3 s PHE 67 N -2.24 2.78 -0.03 -1.55 0.40 -0.85 -1.73 117.98 114.76 1om3 s PHE 67 Ca -0.06 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1om3 s PHE 67 Cb 0.03 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1om3 s PHE 67 CO 0.40 0.43 -0.08 0.99 0.70 0.00 0.00 175.22 177.66 1om3 s THR 68 N -1.22 0.77 -0.06 0.64 2.01 -0.17 -4.90 115.64 112.71 1om3 s THR 68 Ca 0.22 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1om3 s THR 68 Cb -0.11 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1om3 s THR 68 CO 0.14 0.25 -0.06 0.54 -0.69 0.00 0.00 174.62 174.80 1om3 s VAL 69 N 0.36 3.79 0.04 3.82 0.11 -1.26 0.54 120.40 127.81 1om3 s VAL 69 Ca -0.06 -0.49 0.02 0.00 -2.93 0.00 0.00 61.98 58.52 1om3 s VAL 69 Cb -0.10 -2.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1om3 s VAL 69 CO 0.01 0.57 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.84 1om3 s SER 70 N -0.92 0.73 0.18 3.54 0.01 -0.99 -5.00 113.70 111.25 1om3 s SER 70 Ca 0.13 -0.58 0.09 0.00 1.31 0.00 0.00 55.95 56.90 1om3 s SER 70 Cb -0.11 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 1om3 s SER 70 CO 0.03 -0.25 -0.19 0.00 0.41 0.00 0.00 173.24 173.23 1om3 s ARG 71 N -1.77 1.36 -0.35 12.44 1.70 -1.26 -1.16 118.95 129.89 1om3 s ARG 71 Ca -0.09 -1.48 -0.00 0.00 -0.47 0.00 0.00 55.73 53.68 1om3 s ARG 71 Cb -0.08 -1.43 0.12 0.00 -0.57 0.00 0.00 34.95 32.99 1om3 s ARG 71 CO -0.01 0.29 0.16 0.34 -1.08 0.00 0.00 175.30 175.00 1om3 s ASP 72 N -2.82 3.69 0.35 -2.89 -1.08 0.11 -5.00 116.67 109.03 1om3 s ASP 72 Ca 0.19 -1.98 0.18 0.00 -0.52 0.00 0.00 52.55 50.41 1om3 s ASP 72 Cb -0.05 -0.78 0.50 0.00 -1.46 0.00 0.00 42.92 41.12 1om3 s ASP 72 CO 0.08 -0.36 1.64 0.44 0.52 0.00 0.00 175.17 177.50 1om3 h ASP 73 N 7.54 0.00 0.50 -0.34 3.32 -1.97 0.41 116.42 125.89 1om3 h ASP 73 Ca -0.07 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.79 1om3 h ASP 73 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1om3 h ASP 73 CO 0.44 0.41 -0.83 -0.07 -1.72 0.00 0.00 179.24 177.47 1om3 h LEU 74 N 0.00 0.30 -2.41 1.55 3.38 -1.95 -3.28 115.31 112.90 1om3 h LEU 74 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1om3 h LEU 74 Cb 1.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1om3 h LEU 74 CO 0.05 1.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.97 1om3 n GLU 75 N -3.71 2.02 -3.17 1.13 -0.58 -1.22 -5.03 120.64 110.07 1om3 n GLU 75 Ca -0.04 -1.59 -0.14 0.00 -0.42 0.00 0.00 57.16 54.97 1om3 n GLU 75 Cb 0.77 -1.17 0.07 0.00 -0.57 0.00 0.00 31.44 30.54 1om3 n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1om3 n ASP 76 N 0.28 -6.44 -4.09 1.62 9.92 0.04 -4.93 116.55 112.96 1om3 n ASP 76 Ca 0.07 -0.68 -0.19 0.00 -0.53 0.00 0.00 54.79 53.47 1om3 n ASP 76 Cb 0.32 -5.00 -0.14 0.00 -0.64 0.00 0.00 41.12 35.66 1om3 n ASP 76 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1om3 s PHE 77 N -3.37 1.01 0.09 1.24 0.40 -0.64 -3.82 117.98 112.89 1om3 s PHE 77 Ca 0.44 -0.30 0.09 0.00 -0.60 0.00 0.00 56.93 56.56 1om3 s PHE 77 Cb -0.06 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 1om3 s PHE 77 CO 0.70 0.00 -0.21 0.08 0.70 0.00 0.00 175.22 176.50 1om3 s VAL 78 N -0.68 2.62 0.08 -0.44 1.01 -0.28 0.09 120.40 122.79 1om3 s VAL 78 Ca 0.01 -1.46 0.07 0.00 0.00 0.00 0.00 61.98 60.59 1om3 s VAL 78 Cb -0.07 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1om3 s VAL 78 CO 0.01 0.19 -0.18 -0.31 0.00 0.00 0.00 175.10 174.81 1om3 s TYR 79 N -1.03 1.52 -0.16 5.22 2.02 -0.31 0.35 117.35 124.96 1om3 s TYR 79 Ca 0.15 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1om3 s TYR 79 Cb -0.10 -0.86 0.04 0.00 -0.40 0.00 0.00 41.96 40.64 1om3 s TYR 79 CO 0.07 0.12 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.95 1om3 s LEU 80 N -1.68 1.62 -0.09 -1.29 2.96 0.67 -2.35 118.68 118.51 1om3 s LEU 80 Ca 0.03 -0.66 -0.16 0.00 -0.22 0.00 0.00 54.13 53.12 1om3 s LEU 80 Cb -0.10 -0.92 -0.05 0.00 0.50 0.00 0.00 46.19 45.62 1om3 s LEU 80 CO 0.03 -0.18 0.42 -1.10 -1.32 0.00 0.00 176.35 174.20 1om3 s GLN 81 N 1.63 4.22 -0.14 1.98 -0.21 0.19 -1.03 119.66 126.29 1om3 s GLN 81 Ca 0.01 0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.76 1om3 s GLN 81 Cb -0.15 -3.38 0.02 0.00 1.00 0.00 0.00 33.01 30.50 1om3 s GLN 81 CO -0.08 0.31 -0.14 -1.64 -2.12 0.00 0.00 175.29 171.63 1om3 s MET 82 N 0.15 2.24 0.29 2.91 -1.94 -0.40 -1.00 119.30 121.55 1om3 s MET 82 Ca 0.23 -0.54 0.11 0.00 -1.71 0.00 0.00 55.69 53.79 1om3 s MET 82 Cb -0.15 -2.05 -0.05 0.00 2.01 0.00 0.00 34.83 34.59 1om3 s MET 82 CO 0.10 -0.22 -0.18 -1.01 -0.01 0.00 0.00 175.02 173.70 1om3 s HIS 82 N 1.45 2.32 -1.37 -0.03 3.76 -0.70 -1.30 115.29 119.41 1om3 s HIS 82 Ca 0.04 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1om3 s HIS 82 Cb -0.13 -1.07 0.01 0.00 1.11 0.00 0.00 32.58 32.49 1om3 s HIS 82 CO -0.10 0.69 0.58 1.63 -0.85 0.00 0.00 174.74 176.69 1om3 n LYS 82 N -0.66 -4.14 -2.14 1.40 5.02 -1.04 -4.76 118.16 111.83 1om3 n LYS 82 Ca -0.05 0.51 -0.40 0.00 -2.02 0.00 0.00 58.31 56.36 1om3 n LYS 82 Cb 0.61 -4.88 -0.02 0.00 -0.02 0.00 0.00 35.03 30.72 1om3 n LYS 82 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1om3 s MET 82 N -6.29 4.16 0.31 1.97 -1.94 -0.76 -4.59 119.30 112.16 1om3 s MET 82 Ca 0.04 2.10 0.10 0.00 -1.71 0.00 0.00 55.69 56.22 1om3 s MET 82 Cb -0.02 -2.88 -0.05 0.00 2.01 0.00 0.00 34.83 33.89 1om3 s MET 82 CO 0.85 -0.31 -0.04 1.03 -0.01 0.00 0.00 175.02 176.54 1om3 s ARG 83 N -2.05 2.03 0.36 2.03 0.52 -1.26 0.13 118.95 120.71 1om3 s ARG 83 Ca 0.53 -1.70 0.11 0.00 -0.52 0.00 0.00 55.73 54.16 1om3 s ARG 83 Cb -0.37 -1.93 0.88 0.00 0.52 0.00 0.00 34.95 34.05 1om3 s ARG 83 CO 0.48 0.22 1.85 0.28 0.02 0.00 0.00 175.30 178.15 1om3 h VAL 84 N 1.93 0.77 0.00 3.52 2.07 -1.88 -1.13 116.25 121.52 1om3 h VAL 84 Ca -0.42 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1om3 h VAL 84 Cb 1.25 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1om3 h VAL 84 CO 0.64 0.11 0.00 -1.84 0.02 0.00 0.00 177.57 176.51 1om3 n GLU 85 N -4.58 0.28 0.00 1.57 0.00 -1.26 -1.62 120.64 115.02 1om3 n GLU 85 Ca 0.19 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.57 1om3 n GLU 85 Cb 0.55 -1.50 0.58 0.00 0.00 0.00 0.00 31.44 31.07 1om3 n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1om3 n ASP 86 N -1.30 0.00 -4.67 -1.84 8.00 -0.43 -4.86 116.55 111.45 1om3 n ASP 86 Ca 0.10 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 1om3 n ASP 86 Cb 0.17 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 1om3 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1om3 s THR 87 N -2.96 2.98 -0.06 -3.53 2.01 -0.64 -4.89 115.64 108.54 1om3 s THR 87 Ca 0.14 0.16 -0.32 0.00 0.31 0.00 0.00 61.69 61.99 1om3 s THR 87 Cb 0.17 -3.11 0.13 0.00 0.01 0.00 0.00 72.50 69.71 1om3 s THR 87 CO 0.48 -0.01 1.30 0.00 -0.69 0.00 0.00 174.62 175.70 1om3 s ALA 88 N 3.81 -2.25 -0.12 7.40 0.00 -0.76 -4.41 121.76 125.44 1om3 s ALA 88 Ca 0.83 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1om3 s ALA 88 Cb -0.42 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1om3 s ALA 88 CO 0.38 -0.97 0.66 0.42 0.00 0.00 0.00 175.76 176.25 1om3 s ILE 89 N -2.36 5.05 -0.21 0.00 1.09 -0.44 -1.56 121.20 122.76 1om3 s ILE 89 Ca 0.13 1.33 -0.08 0.00 -1.10 0.00 0.00 60.65 60.93 1om3 s ILE 89 Cb 0.04 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1om3 s ILE 89 CO -0.04 0.21 0.10 -0.31 -0.10 0.00 0.00 174.94 174.79 1om3 s TYR 90 N 1.17 3.24 -0.06 3.97 1.51 0.92 -0.11 117.35 127.99 1om3 s TYR 90 Ca 0.34 0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1om3 s TYR 90 Cb -0.17 -2.17 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1om3 s TYR 90 CO 0.14 0.03 -0.18 0.71 -1.11 0.00 0.00 175.55 175.14 1om3 s TYR 91 N 0.84 2.62 0.16 2.71 1.51 0.08 -0.69 117.35 124.58 1om3 s TYR 91 Ca 0.05 -0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 55.57 1om3 s TYR 91 Cb -0.13 -1.64 -0.07 0.00 -0.11 0.00 0.00 41.96 40.00 1om3 s TYR 91 CO 0.02 0.02 0.60 0.00 -1.11 0.00 0.00 175.55 175.09 1om3 s ALA 93 N -1.43 -0.38 -0.02 0.00 0.00 0.21 -1.30 121.76 118.84 1om3 s ALA 93 Ca 0.38 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1om3 s ALA 93 Cb -0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1om3 s ALA 93 CO 0.20 -0.16 0.09 0.50 0.00 0.00 0.00 175.76 176.38 1om3 s ARG 94 N -0.83 3.13 0.47 0.00 3.52 -0.18 -1.25 118.95 123.82 1om3 s ARG 94 Ca -0.09 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.14 1om3 s ARG 94 Cb -0.05 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 1om3 s ARG 94 CO 0.01 0.67 0.25 0.15 -0.81 0.00 0.00 175.30 175.57 1om3 s LYS 95 N -1.63 2.26 0.00 5.12 1.02 -0.80 -0.65 119.74 125.06 1om3 s LYS 95 Ca 0.22 -1.95 0.00 0.00 0.02 0.00 0.00 55.97 54.26 1om3 s LYS 95 Cb -0.12 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 1om3 s LYS 95 CO 0.13 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1om3 n GLY 96 N -1.45 -2.42 2.81 -3.33 0.00 -1.26 -3.78 105.19 95.75 1om3 n GLY 96 Ca -0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1om3 n GLY 96 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1om3 s SER 97 N -2.19 0.99 0.55 1.61 0.15 -1.26 -3.27 113.70 110.28 1om3 s SER 97 Ca 0.00 0.15 0.22 0.00 0.70 0.00 0.00 55.95 57.02 1om3 s SER 97 Cb 0.00 0.30 1.46 0.00 -1.71 0.00 0.00 66.02 66.07 1om3 s SER 97 CO 0.00 -0.27 2.13 -2.24 1.20 0.00 0.00 173.24 174.06 1om3 h ASP 98 N 8.35 0.00 0.01 5.45 2.03 -1.85 0.12 116.42 130.54 1om3 h ASP 98 Ca -0.14 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.16 1om3 h ASP 98 Cb 1.13 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.63 1om3 h ASP 98 CO 0.19 0.00 -0.01 0.03 -1.03 0.00 0.00 179.24 178.42 1om3 h ARG 99 N 0.00 0.00 0.00 4.15 3.08 -1.96 -3.31 114.38 116.34 1om3 h ARG 99 Ca 0.06 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.80 1om3 h ARG 99 Cb 0.28 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 1om3 h ARG 99 CO -0.00 0.01 -2.19 1.28 -1.07 0.00 0.00 179.97 178.00 1om3 n LEU 100 N -4.34 2.88 -3.90 3.04 4.77 0.21 -5.01 117.00 114.65 1om3 n LEU 100 Ca -0.03 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.70 1om3 n LEU 100 Cb 0.10 -0.69 -0.14 0.00 -2.33 0.00 0.00 43.42 40.35 1om3 n LEU 100 CO 0.32 0.84 -0.38 -0.55 -1.33 0.00 0.00 177.39 176.29 1om3 s SER 100 N -5.99 0.32 0.48 -1.43 0.15 0.09 -5.02 113.70 102.30 1om3 s SER 100 Ca -0.27 -0.04 0.28 0.00 0.70 0.00 0.00 55.95 56.61 1om3 s SER 100 Cb 0.07 -0.06 1.01 0.00 -1.71 0.00 0.00 66.02 65.34 1om3 s SER 100 CO 0.49 0.01 1.85 0.44 1.20 0.00 0.00 173.24 177.24 1om3 h ASP 100 N 6.24 0.00 -3.24 5.45 3.32 -1.86 -3.35 116.42 122.98 1om3 h ASP 100 Ca -0.28 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.29 1om3 h ASP 100 Cb 1.19 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.35 1om3 h ASP 100 CO 0.50 0.11 -0.76 0.20 -1.72 0.00 0.00 179.24 177.57 1om3 s ASN 100 N -5.99 2.33 0.01 6.45 0.01 -1.26 -5.07 114.94 111.42 1om3 s ASN 100 Ca 0.02 -0.51 -0.03 0.00 -0.71 0.00 0.00 52.86 51.63 1om3 s ASN 100 Cb 0.09 -0.50 -0.01 0.00 0.41 0.00 0.00 41.25 41.24 1om3 s ASN 100 CO 0.60 -0.27 0.04 -1.81 -1.51 0.00 0.00 177.10 174.16 1om3 s ASP 100 N 1.93 0.14 0.70 -1.22 1.11 -1.26 -5.07 116.67 113.00 1om3 s ASP 100 Ca 0.02 -0.36 -0.06 0.00 0.18 0.00 0.00 52.55 52.33 1om3 s ASP 100 Cb -0.15 0.14 0.06 0.00 1.07 0.00 0.00 42.92 44.04 1om3 s ASP 100 CO -0.07 -0.31 1.01 -2.16 1.18 0.00 0.00 175.17 174.81 1om3 s PRO 100 N -1.36 2.19 -0.52 8.23 0.04 -1.26 -4.93 135.00 137.39 1om3 s PRO 100 Ca -0.15 -0.29 -0.27 0.00 0.04 0.00 0.00 61.00 60.33 1om3 s PRO 100 Cb -0.09 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1om3 s PRO 100 CO 0.00 -1.23 1.05 -0.06 0.04 0.00 0.00 177.00 176.81 1om3 s PHE 100 N -3.23 2.77 -0.14 0.56 0.08 -1.26 -4.48 117.98 112.29 1om3 s PHE 100 Ca 0.60 0.36 0.18 0.00 0.12 0.00 0.00 56.93 58.20 1om3 s PHE 100 Cb -0.11 -4.26 -0.14 0.00 -0.57 0.00 0.00 43.02 37.94 1om3 s PHE 100 CO 0.44 -1.35 0.77 -0.40 -0.10 0.00 0.00 175.22 174.58 1om3 n ASP 101 N 7.77 0.70 -3.92 1.36 5.75 0.17 -4.91 116.55 123.48 1om3 n ASP 101 Ca 0.07 0.30 -0.13 0.00 -0.01 0.00 0.00 54.79 55.02 1om3 n ASP 101 Cb 0.49 0.47 -0.14 0.00 -1.03 0.00 0.00 41.12 40.91 1om3 n ASP 101 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1om3 s ALA 102 N -3.03 0.15 0.04 2.12 0.00 -1.21 -5.00 121.76 114.83 1om3 s ALA 102 Ca -0.04 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1om3 s ALA 102 Cb 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1om3 s ALA 102 CO 0.82 0.00 -0.09 -1.58 0.00 0.00 0.00 175.76 174.91 1om3 s TRP 103 N -0.31 0.81 0.84 0.00 0.52 -1.26 -1.01 118.94 118.52 1om3 s TRP 103 Ca -0.02 -0.45 -0.12 0.00 0.02 0.00 0.00 56.10 55.53 1om3 s TRP 103 Cb -0.02 -0.47 0.10 0.00 -1.15 0.00 0.00 33.47 31.92 1om3 s TRP 103 CO -0.00 -0.04 1.15 0.20 0.02 0.00 0.00 176.95 178.28 1om3 s GLY 104 N -1.46 1.59 0.14 0.98 0.00 -0.42 -4.56 107.32 103.60 1om3 s GLY 104 Ca -0.07 -0.55 0.25 0.00 0.00 0.00 0.00 44.72 44.36 1om3 s GLY 104 CO 0.01 -0.04 1.77 -1.55 0.00 0.00 0.00 173.10 173.28 1om3 n PRO 105 N -3.47 0.15 0.00 2.90 -0.04 -1.26 -4.80 135.00 128.49 1om3 n PRO 105 Ca 0.07 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1om3 n PRO 105 Cb 0.60 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1om3 n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1om3 n GLY 106 N 0.96 2.11 3.05 0.55 0.00 -1.26 -5.01 105.19 105.60 1om3 n GLY 106 Ca 0.05 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.10 1om3 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1om3 s THR 107 N -2.29 0.83 -0.20 2.61 -1.32 0.14 -4.85 115.64 110.56 1om3 s THR 107 Ca 0.00 -0.46 -0.25 0.00 -1.21 0.00 0.00 61.69 59.77 1om3 s THR 107 Cb 0.00 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.28 1om3 s THR 107 CO 0.00 0.23 0.86 -0.69 -2.21 0.00 0.00 174.62 172.81 1om3 s VAL 108 N -0.26 4.84 -0.17 5.08 1.01 -1.26 -0.05 120.40 129.58 1om3 s VAL 108 Ca 0.04 1.66 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 1om3 s VAL 108 Cb -0.04 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1om3 s VAL 108 CO -0.00 -0.03 -0.08 -0.69 0.00 0.00 0.00 175.10 174.29 1om3 s VAL 109 N 2.52 3.26 -0.09 2.92 1.01 -0.60 -1.84 120.40 127.58 1om3 s VAL 109 Ca 0.38 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1om3 s VAL 109 Cb -0.16 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1om3 s VAL 109 CO 0.10 0.48 -0.13 0.42 0.00 0.00 0.00 175.10 175.97 1om3 s THR 110 N 0.85 1.29 -0.33 3.92 -4.23 -0.53 -1.83 115.64 114.78 1om3 s THR 110 Ca -0.02 -0.54 -0.10 0.00 -1.18 0.00 0.00 61.69 59.84 1om3 s THR 110 Cb -0.15 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1om3 s THR 110 CO 0.01 0.40 0.18 -0.69 -0.54 0.00 0.00 174.62 173.97 1om3 s VAL 111 N 0.90 4.69 0.20 2.29 1.01 -1.26 -1.03 120.40 127.19 1om3 s VAL 111 Ca -0.10 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1om3 s VAL 111 Cb -0.15 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 1om3 s VAL 111 CO 0.01 -0.02 1.12 -0.55 0.00 0.00 0.00 175.10 175.65 1om3 s SER 112 N 1.61 7.24 0.36 3.32 0.15 0.23 -4.57 113.70 122.04 1om3 s SER 112 Ca 0.04 2.15 0.09 0.00 0.70 0.00 0.00 55.95 58.93 1om3 s SER 112 Cb -0.18 -2.61 0.70 0.00 -1.71 0.00 0.00 66.02 62.23 1om3 s SER 112 CO 0.07 -0.23 1.86 1.55 1.20 0.00 0.00 173.24 177.69 1om3 h PRO 113 N 4.89 0.23 -6.21 5.44 0.13 -1.97 -0.89 132.00 133.61 1om3 h PRO 113 Ca -0.45 -0.07 -0.54 0.00 -0.87 0.00 0.00 66.00 64.07 1om3 h PRO 113 Cb 1.21 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1om3 h PRO 113 CO 0.72 0.43 1.21 0.00 -0.23 0.00 0.00 178.00 180.13 1om3 s ALA 114 N -4.57 2.63 -1.21 -0.56 0.00 -1.26 -4.68 121.76 112.11 1om3 s ALA 114 Ca -0.05 -1.61 0.11 0.00 0.00 0.00 0.00 51.96 50.41 1om3 s ALA 114 Cb 0.15 -4.37 0.53 0.00 0.00 0.00 0.00 23.12 19.42 1om3 s ALA 114 CO 0.74 -3.54 1.31 -1.13 0.00 0.00 0.00 175.76 173.15 1om3 n SER 115 N 9.75 0.00 -3.65 0.00 3.41 -1.26 -4.52 113.62 117.36 1om3 n SER 115 Ca 0.17 0.32 -0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1om3 n SER 115 Cb 0.50 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 1om3 n SER 115 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1om3 s THR 116 N -2.79 0.06 -0.26 6.66 -1.32 -1.26 -4.47 115.64 112.26 1om3 s THR 116 Ca 0.08 -0.53 -0.12 0.00 -1.21 0.00 0.00 61.69 59.91 1om3 s THR 116 Cb 0.07 -1.08 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 1om3 s THR 116 CO 0.19 -0.29 0.61 -0.75 -2.21 0.00 0.00 174.62 172.17 1om3 s LYS 117 N -3.25 0.59 0.59 7.08 2.20 0.32 -4.95 119.74 122.32 1om3 s LYS 117 Ca -0.00 1.23 -0.16 0.00 -0.36 0.00 0.00 55.97 56.68 1om3 s LYS 117 Cb 0.01 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.67 1om3 s LYS 117 CO -0.08 -0.18 1.05 0.20 -0.36 0.00 0.00 175.35 175.98 1om3 s GLY 118 N 2.13 2.11 0.52 5.54 0.00 -1.26 -1.44 107.32 114.91 1om3 s GLY 118 Ca -0.08 0.36 -0.14 0.00 0.00 0.00 0.00 44.72 44.86 1om3 s GLY 118 CO -0.18 0.68 0.95 2.56 0.00 0.00 0.00 173.10 177.11 1om3 s PRO 119 N -4.11 3.84 -0.15 2.90 0.04 -1.26 -4.56 135.00 131.70 1om3 s PRO 119 Ca 0.63 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 1om3 s PRO 119 Cb -0.15 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1om3 s PRO 119 CO 0.37 -0.29 0.21 -1.12 0.04 0.00 0.00 177.00 176.21 1om3 s SER 120 N -3.33 6.38 -0.20 6.66 0.01 0.11 -4.92 113.70 118.40 1om3 s SER 120 Ca 0.56 0.44 -0.03 0.00 1.31 0.00 0.00 55.95 58.23 1om3 s SER 120 Cb -0.10 -2.13 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1om3 s SER 120 CO 0.36 0.22 -0.05 -0.69 0.41 0.00 0.00 173.24 173.49 1om3 s VAL 121 N -0.06 3.42 0.12 3.43 1.01 -1.26 -0.15 120.40 126.90 1om3 s VAL 121 Ca 0.14 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.73 1om3 s VAL 121 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1om3 s VAL 121 CO 0.03 0.44 -0.25 -0.36 0.00 0.00 0.00 175.10 174.96 1om3 s PHE 122 N 1.19 2.35 0.32 5.22 0.08 -0.05 -4.97 117.98 122.14 1om3 s PHE 122 Ca 0.02 -0.36 -0.27 0.00 0.12 0.00 0.00 56.93 56.44 1om3 s PHE 122 Cb -0.14 -1.28 -0.09 0.00 -0.57 0.00 0.00 43.02 40.93 1om3 s PHE 122 CO -0.01 0.33 1.02 -1.25 -0.10 0.00 0.00 175.22 175.21 1om3 s PRO 123 N -1.99 4.50 -0.58 0.24 0.04 -1.26 -0.54 135.00 135.41 1om3 s PRO 123 Ca 0.14 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1om3 s PRO 123 Cb -0.10 -2.89 0.15 0.00 0.04 0.00 0.00 34.50 31.69 1om3 s PRO 123 CO 0.06 0.16 0.46 -0.51 0.04 0.00 0.00 177.00 177.21 1om3 s LEU 124 N -1.95 5.87 0.12 -3.56 1.43 0.75 -4.78 118.68 116.55 1om3 s LEU 124 Ca 0.50 -2.24 -0.27 0.00 -1.03 0.00 0.00 54.13 51.09 1om3 s LEU 124 Cb -0.25 -2.04 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1om3 s LEU 124 CO 0.31 -0.62 0.83 0.00 0.23 0.00 0.00 176.35 177.10 1om3 s ALA 125 N 0.87 3.36 0.68 4.21 0.00 -1.26 -0.74 121.76 128.88 1om3 s ALA 125 Ca 0.10 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 1om3 s ALA 125 Cb -0.22 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1om3 s ALA 125 CO -0.03 0.13 1.13 -1.25 0.00 0.00 0.00 175.76 175.74 1om3 s PRO 126 N -0.49 2.63 0.00 0.00 0.04 -1.26 -4.95 135.00 130.97 1om3 s PRO 126 Ca 0.40 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1om3 s PRO 126 Cb -0.23 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1om3 s PRO 126 CO 0.27 -1.40 0.00 -1.13 0.04 0.00 0.00 177.00 174.77 1om3 n SER 127 N -2.51 0.00 -1.47 6.66 3.41 -1.26 -4.50 113.62 113.95 1om3 n SER 127 Ca 0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.72 1om3 n SER 127 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1om3 n SER 127 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1om3 n SER 128 N 0.00 -2.57 0.00 4.04 3.41 -1.26 -5.03 113.62 112.20 1om3 n SER 128 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1om3 n SER 128 Cb 0.00 -1.80 0.00 0.00 -0.26 0.00 0.00 64.21 62.15 1om3 n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1om3 n LYS 129 N 0.33 0.00 0.00 4.33 5.02 -1.26 -5.02 118.16 121.56 1om3 n LYS 129 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1om3 n LYS 129 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1om3 n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1om3 n SER 130 N 0.00 0.00 0.00 4.39 3.41 -1.26 -5.13 113.62 115.03 1om3 n SER 130 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1om3 n SER 130 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1om3 n SER 130 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1om3 n THR 133 N -0.14 0.00 0.00 6.66 -2.24 -1.26 -5.07 114.28 112.24 1om3 n THR 133 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1om3 n THR 133 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1om3 n THR 133 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1om3 n SER 134 N 0.00 0.00 0.00 3.42 3.41 -1.26 -4.97 113.62 114.22 1om3 n SER 134 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1om3 n SER 134 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1om3 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1om3 n GLY 135 N 0.00 0.24 0.00 5.00 0.00 -1.26 -4.91 105.19 104.26 1om3 n GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1om3 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om3 n GLY 136 N 0.00 5.29 2.68 -0.02 0.00 -1.26 -4.94 105.19 106.94 1om3 n GLY 136 Ca 0.00 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 1om3 n GLY 136 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1om3 s THR 137 N 1.03 -0.07 0.15 2.61 -1.32 -1.26 -1.16 115.64 115.63 1om3 s THR 137 Ca 0.00 0.40 0.10 0.00 -1.21 0.00 0.00 61.69 60.98 1om3 s THR 137 Cb 0.00 -0.19 -0.04 0.00 -1.51 0.00 0.00 72.50 70.76 1om3 s THR 137 CO 0.00 0.19 -0.23 0.00 -2.21 0.00 0.00 174.62 172.36 1om3 s ALA 138 N 2.15 2.25 0.04 11.08 0.00 0.23 -4.73 121.76 132.78 1om3 s ALA 138 Ca 0.05 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.57 1om3 s ALA 138 Cb -0.12 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1om3 s ALA 138 CO -0.03 0.42 -0.05 0.00 0.00 0.00 0.00 175.76 176.10 1om3 s ALA 139 N -1.43 3.12 0.19 0.00 0.00 -1.26 -0.61 121.76 121.77 1om3 s ALA 139 Ca 0.15 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1om3 s ALA 139 Cb -0.09 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.89 1om3 s ALA 139 CO 0.07 0.64 0.42 -0.48 0.00 0.00 0.00 175.76 176.42 1om3 s LEU 140 N -1.75 0.47 0.00 0.00 0.05 -0.51 -4.05 118.68 112.88 1om3 s LEU 140 Ca 0.20 -0.71 0.00 0.00 0.05 0.00 0.00 54.13 53.67 1om3 s LEU 140 Cb -0.11 1.71 0.00 0.00 -2.05 0.00 0.00 46.19 45.74 1om3 s LEU 140 CO 0.11 -1.01 0.00 0.61 -0.55 0.00 0.00 176.35 175.52 1om3 n GLY 141 N -0.30 1.08 2.85 -3.48 0.00 0.09 -0.79 105.19 104.65 1om3 n GLY 141 Ca -0.08 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1om3 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om3 s LEU 143 N 0.67 4.19 -0.45 0.00 2.96 0.30 -1.34 118.68 125.00 1om3 s LEU 143 Ca -0.07 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1om3 s LEU 143 Cb -0.10 -2.41 0.10 0.00 0.50 0.00 0.00 46.19 44.28 1om3 s LEU 143 CO -0.01 -0.26 0.32 -0.69 -1.32 0.00 0.00 176.35 174.39 1om3 s VAL 144 N 2.08 4.31 -0.06 1.68 1.01 0.14 -0.87 120.40 128.69 1om3 s VAL 144 Ca 0.14 -1.57 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1om3 s VAL 144 Cb -0.16 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1om3 s VAL 144 CO 0.11 -0.65 -0.12 -0.75 0.00 0.00 0.00 175.10 173.68 1om3 s LYS 145 N 1.41 2.63 -0.48 2.72 2.20 0.78 -1.49 119.74 127.52 1om3 s LYS 145 Ca 0.04 -0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1om3 s LYS 145 Cb -0.25 -2.45 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1om3 s LYS 145 CO 0.01 0.60 0.42 -0.25 -0.36 0.00 0.00 175.35 175.78 1om3 n ASP 146 N 2.38 -4.29 -4.36 1.43 8.00 -0.47 -0.71 116.55 118.53 1om3 n ASP 146 Ca -0.17 -0.30 -0.19 0.00 0.71 0.00 0.00 54.79 54.84 1om3 n ASP 146 Cb 0.52 -2.78 -0.10 0.00 -0.02 0.00 0.00 41.12 38.74 1om3 n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1om3 s TYR 147 N -3.16 1.74 -0.27 1.24 1.13 -0.83 -4.35 117.35 112.85 1om3 s TYR 147 Ca 0.19 -0.62 -0.25 0.00 -1.41 0.00 0.00 57.07 54.99 1om3 s TYR 147 Cb -0.02 -0.86 0.08 0.00 -1.10 0.00 0.00 41.96 40.05 1om3 s TYR 147 CO 0.35 0.32 0.75 0.12 -2.51 0.00 0.00 175.55 174.58 1om3 s PHE 148 N -3.01 -0.77 0.17 -3.49 2.19 -0.52 -1.25 117.98 111.29 1om3 s PHE 148 Ca 0.24 1.87 -0.01 0.00 0.33 0.00 0.00 56.93 59.36 1om3 s PHE 148 Cb 0.01 0.29 0.04 0.00 -1.31 0.00 0.00 43.02 42.04 1om3 s PHE 148 CO 0.08 -0.37 0.23 -0.35 1.83 0.00 0.00 175.22 176.63 1om3 n PRO 149 N 2.72 0.23 -1.85 10.12 -0.04 -1.26 -0.52 135.00 144.40 1om3 n PRO 149 Ca -0.14 -0.52 -0.35 0.00 -0.04 0.00 0.00 63.50 62.44 1om3 n PRO 149 Cb 0.55 -0.19 0.05 0.00 -0.04 0.00 0.00 33.50 33.88 1om3 n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1om3 s GLU 150 N -3.16 2.77 0.48 0.54 2.02 -1.26 -4.75 118.70 115.34 1om3 s GLU 150 Ca 0.14 1.74 0.06 0.00 0.02 0.00 0.00 54.97 56.94 1om3 s GLU 150 Cb -0.01 -1.91 -0.00 0.00 0.10 0.00 0.00 34.13 32.31 1om3 s GLU 150 CO 0.10 -1.34 0.33 -1.25 0.02 0.00 0.00 175.26 173.11 1om3 s PRO 151 N -3.57 2.32 -0.02 0.39 0.04 -1.26 -4.99 135.00 127.91 1om3 s PRO 151 Ca 0.75 -1.86 0.08 0.00 0.04 0.00 0.00 61.00 60.01 1om3 s PRO 151 Cb -0.28 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1om3 s PRO 151 CO 0.37 -0.37 -0.26 0.08 0.04 0.00 0.00 177.00 176.86 1om3 s VAL 152 N -2.65 2.07 -0.13 -0.36 1.01 -1.26 -4.31 120.40 114.76 1om3 s VAL 152 Ca 0.39 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1om3 s VAL 152 Cb -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1om3 s VAL 152 CO 0.23 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 174.98 1om3 s THR 153 N -0.58 3.92 -0.07 3.92 2.01 -0.35 -4.99 115.64 119.50 1om3 s THR 153 Ca 0.09 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1om3 s THR 153 Cb -0.10 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 1om3 s THR 153 CO -0.01 0.53 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.54 1om3 s VAL 154 N -0.03 1.89 0.36 3.82 1.01 -1.26 -1.22 120.40 124.97 1om3 s VAL 154 Ca 0.01 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1om3 s VAL 154 Cb -0.13 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1om3 s VAL 154 CO 0.03 0.53 0.08 -0.94 0.00 0.00 0.00 175.10 174.80 1om3 s SER 156 N 0.15 2.50 -0.05 3.32 1.04 -0.43 -4.97 113.70 115.27 1om3 s SER 156 Ca -0.11 -1.50 0.03 0.00 0.48 0.00 0.00 55.95 54.85 1om3 s SER 156 Cb -0.15 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1om3 s SER 156 CO 0.06 -0.74 -0.13 0.26 0.98 0.00 0.00 173.24 173.66 1om3 s TRP 157 N -3.28 1.43 -1.59 5.02 0.52 -1.26 -0.34 118.94 119.44 1om3 s TRP 157 Ca 0.31 -0.44 -0.10 0.00 0.02 0.00 0.00 56.10 55.90 1om3 s TRP 157 Cb 0.06 -1.00 0.09 0.00 -1.15 0.00 0.00 33.47 31.47 1om3 s TRP 157 CO 0.15 -0.18 0.53 0.09 0.02 0.00 0.00 176.95 177.56 1om3 n ASN 162 N 3.38 -1.54 -3.09 2.95 3.02 0.06 -1.93 115.26 118.11 1om3 n ASN 162 Ca -0.20 -1.06 -0.22 0.00 -0.03 0.00 0.00 54.58 53.07 1om3 n ASN 162 Cb 0.53 -2.62 0.05 0.00 -0.61 0.00 0.00 39.78 37.13 1om3 n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1om3 n SER 163 N -2.79 -6.01 0.00 6.41 7.64 -1.26 -2.08 113.62 115.53 1om3 n SER 163 Ca -0.12 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1om3 n SER 163 Cb 0.59 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1om3 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1om3 n GLY 164 N -1.67 1.48 0.25 0.23 0.00 -0.81 -4.92 105.19 99.74 1om3 n GLY 164 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1om3 n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1om3 h ALA 165 N 0.00 1.05 -3.12 4.61 0.00 -1.32 -3.42 119.26 117.07 1om3 h ALA 165 Ca 0.00 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.12 1om3 h ALA 165 Cb 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 17.44 1om3 h ALA 165 CO 0.00 0.16 -0.81 -1.17 0.00 0.00 0.00 179.25 177.44 1om3 s LEU 166 N -6.64 2.53 0.00 0.00 2.96 -0.90 -4.93 118.68 111.71 1om3 s LEU 166 Ca 0.00 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 1om3 s LEU 166 Cb 0.10 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.22 1om3 s LEU 166 CO 0.59 -0.03 0.00 0.35 -1.32 0.00 0.00 176.35 175.94 1om3 n THR 167 N 4.66 0.00 -1.89 3.68 -2.24 -1.26 -4.14 114.28 113.09 1om3 n THR 167 Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1om3 n THR 167 Cb 0.49 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1om3 n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1om3 s SER 168 N -1.63 6.53 0.00 3.42 0.01 -1.26 -2.63 113.70 118.14 1om3 s SER 168 Ca 0.00 2.70 0.00 0.00 1.31 0.00 0.00 55.95 59.96 1om3 s SER 168 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1om3 s SER 168 CO 0.00 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1om3 n GLY 169 N 3.55 0.50 3.75 3.44 0.00 -1.26 -4.74 105.19 110.43 1om3 n GLY 169 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1om3 n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1om3 s VAL 171 N -2.16 4.66 -0.11 1.61 1.01 -1.08 -3.17 120.40 121.16 1om3 s VAL 171 Ca 0.00 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 1om3 s VAL 171 Cb 0.00 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.28 1om3 s VAL 171 CO 0.00 0.40 -0.07 -1.00 0.00 0.00 0.00 175.10 174.43 1om3 s HIS 172 N -0.28 1.39 -0.24 5.22 3.76 0.25 -5.00 115.29 120.39 1om3 s HIS 172 Ca 0.38 -0.68 -0.06 0.00 -0.15 0.00 0.00 55.06 54.55 1om3 s HIS 172 Cb -0.21 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 1om3 s HIS 172 CO 0.24 -0.49 0.03 0.99 -0.85 0.00 0.00 174.74 174.65 1om3 s THR 173 N 1.74 3.93 0.51 1.30 2.01 -1.26 -0.77 115.64 123.10 1om3 s THR 173 Ca 0.05 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 1om3 s THR 173 Cb -0.13 -2.85 -0.08 0.00 0.01 0.00 0.00 72.50 69.46 1om3 s THR 173 CO -0.08 0.34 0.99 -0.36 -0.69 0.00 0.00 174.62 174.82 1om3 s PHE 174 N 1.55 3.32 0.30 4.92 0.40 -0.56 -5.01 117.98 122.90 1om3 s PHE 174 Ca 0.06 1.51 -0.29 0.00 -0.60 0.00 0.00 56.93 57.61 1om3 s PHE 174 Cb -0.15 -2.86 -0.13 0.00 0.51 0.00 0.00 43.02 40.40 1om3 s PHE 174 CO 0.01 -0.46 1.33 -2.30 0.70 0.00 0.00 175.22 174.50 1om3 n PRO 175 N -1.41 2.07 -1.69 0.24 -0.02 -1.26 -4.64 135.00 128.29 1om3 n PRO 175 Ca 0.07 0.73 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 1om3 n PRO 175 Cb 0.54 -2.34 0.04 0.00 -0.02 0.00 0.00 33.50 31.72 1om3 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1om3 n ALA 176 N 0.98 1.05 -2.54 3.55 0.00 -1.26 -4.80 120.51 117.49 1om3 n ALA 176 Ca 0.08 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 1om3 n ALA 176 Cb 0.34 -2.26 -0.14 0.00 0.00 0.00 0.00 19.45 17.40 1om3 n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1om3 s VAL 177 N -1.34 2.89 -0.14 0.00 1.01 0.13 -4.94 120.40 118.01 1om3 s VAL 177 Ca 0.71 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 1om3 s VAL 177 Cb -0.44 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1om3 s VAL 177 CO 0.50 0.58 0.78 -0.22 0.00 0.00 0.00 175.10 176.74 1om3 s LEU 178 N -0.56 4.21 0.35 3.92 2.96 -1.26 -1.54 118.68 126.75 1om3 s LEU 178 Ca 0.08 1.15 -0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1om3 s LEU 178 Cb -0.11 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 1om3 s LEU 178 CO 0.01 -0.31 0.58 -1.10 -1.32 0.00 0.00 176.35 174.21 1om3 s GLN 179 N 1.77 3.52 0.63 1.98 -0.21 -0.37 -4.97 119.66 122.00 1om3 s GLN 179 Ca 0.37 -0.19 0.28 0.00 0.02 0.00 0.00 55.36 55.84 1om3 s GLN 179 Cb -0.17 -2.62 1.51 0.00 1.00 0.00 0.00 33.01 32.73 1om3 s GLN 179 CO 0.14 0.11 1.88 0.66 -2.12 0.00 0.00 175.29 175.97 1om3 h SER 180 N 0.87 0.00 0.97 5.90 4.64 -1.97 0.71 113.55 124.67 1om3 h SER 180 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1om3 h SER 180 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1om3 h SER 180 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 1om3 n SER 182 N -3.29 0.64 0.00 4.97 3.41 -1.26 -4.90 113.62 113.19 1om3 n SER 182 Ca 0.03 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1om3 n SER 182 Cb 0.53 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1om3 n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1om3 n GLY 183 N 0.49 0.69 3.59 5.00 0.00 0.24 -5.07 105.19 110.14 1om3 n GLY 183 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1om3 n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1om3 s LEU 184 N 0.00 3.09 0.49 0.99 1.43 -1.25 -4.89 118.68 118.53 1om3 s LEU 184 Ca 0.00 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 1om3 s LEU 184 Cb 0.00 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1om3 s LEU 184 CO 0.00 0.17 0.78 -0.31 0.23 0.00 0.00 176.35 177.22 1om3 s TYR 185 N -1.25 3.50 -0.22 0.29 2.02 -0.38 -1.24 117.35 120.07 1om3 s TYR 185 Ca 0.22 0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 57.47 1om3 s TYR 185 Cb -0.11 -2.33 0.06 0.00 -0.40 0.00 0.00 41.96 39.18 1om3 s TYR 185 CO 0.14 -0.33 0.57 0.45 -1.57 0.00 0.00 175.55 174.81 1om3 s SER 186 N -4.13 -0.62 0.17 2.29 0.15 -0.59 -1.37 113.70 109.60 1om3 s SER 186 Ca 0.48 1.16 -0.05 0.00 0.70 0.00 0.00 55.95 58.24 1om3 s SER 186 Cb -0.10 1.15 -0.03 0.00 -1.71 0.00 0.00 66.02 65.33 1om3 s SER 186 CO 0.44 -0.20 0.20 -1.48 1.20 0.00 0.00 173.24 173.40 1om3 s LEU 187 N 0.56 1.18 0.19 3.45 0.05 -0.56 -0.69 118.68 122.86 1om3 s LEU 187 Ca -0.02 -1.12 0.11 0.00 0.05 0.00 0.00 54.13 53.16 1om3 s LEU 187 Cb -0.05 0.78 -0.04 0.00 -2.05 0.00 0.00 46.19 44.83 1om3 s LEU 187 CO -0.03 -0.86 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.24 1om3 s SER 188 N -3.05 3.37 -0.06 1.48 0.01 -1.26 -0.69 113.70 113.51 1om3 s SER 188 Ca 0.26 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.65 1om3 s SER 188 Cb 0.05 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.06 1om3 s SER 188 CO 0.05 0.11 -0.05 -0.55 0.41 0.00 0.00 173.24 173.21 1om3 s SER 189 N -2.69 1.26 0.23 2.44 0.15 -0.45 -1.50 113.70 113.14 1om3 s SER 189 Ca 0.21 -0.15 0.09 0.00 0.70 0.00 0.00 55.95 56.79 1om3 s SER 189 Cb -0.08 -0.52 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 1om3 s SER 189 CO 0.10 -0.08 -0.15 0.68 1.20 0.00 0.00 173.24 174.99 1om3 s VAL 190 N 1.16 1.92 -0.06 4.45 -7.23 0.05 -0.77 120.40 119.92 1om3 s VAL 190 Ca -0.07 -2.25 -0.12 0.00 -1.81 0.00 0.00 61.98 57.72 1om3 s VAL 190 Cb -0.14 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.68 1om3 s VAL 190 CO -0.01 -0.52 0.30 0.54 -0.31 0.00 0.00 175.10 175.10 1om3 s VAL 191 N -2.86 0.03 -0.09 1.32 0.11 0.03 -0.58 120.40 118.36 1om3 s VAL 191 Ca 0.25 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.00 1om3 s VAL 191 Cb -0.01 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1om3 s VAL 191 CO 0.09 -0.14 0.06 0.42 -3.33 0.00 0.00 175.10 172.20 1om3 s THR 192 N -0.61 4.80 0.09 5.04 -4.23 -1.19 -1.43 115.64 118.11 1om3 s THR 192 Ca -0.07 -0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.33 1om3 s THR 192 Cb -0.04 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 1om3 s THR 192 CO 0.02 0.60 0.06 0.68 -0.54 0.00 0.00 174.62 175.44 1om3 s VAL 193 N -0.96 0.16 0.12 2.29 -7.23 0.22 -4.79 120.40 110.21 1om3 s VAL 193 Ca 0.15 -1.68 -0.34 0.00 -1.81 0.00 0.00 61.98 58.30 1om3 s VAL 193 Cb -0.12 -1.64 -0.13 0.00 0.56 0.00 0.00 36.38 35.05 1om3 s VAL 193 CO 0.04 -0.74 1.67 -2.65 -0.31 0.00 0.00 175.10 173.10 1om3 n PRO 194 N 0.00 2.26 0.28 4.82 -0.02 -1.26 -0.60 135.00 140.48 1om3 n PRO 194 Ca -0.12 0.82 0.14 0.00 -2.02 0.00 0.00 63.50 62.33 1om3 n PRO 194 Cb 0.62 -2.62 0.82 0.00 -0.02 0.00 0.00 33.50 32.30 1om3 n PRO 194 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1om3 h SER 195 N 6.81 0.00 0.22 2.55 0.87 -1.43 0.06 113.55 122.63 1om3 h SER 195 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1om3 h SER 195 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1om3 h SER 195 CO 0.91 0.07 0.00 -1.54 -0.53 0.00 0.00 176.83 175.74 1om3 n SER 196 N -3.62 0.00 -0.17 6.23 3.41 -1.26 -3.31 113.62 114.90 1om3 n SER 196 Ca -0.02 -0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.61 1om3 n SER 196 Cb 0.19 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 1om3 n SER 196 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1om3 n SER 197 N -1.21 1.27 0.22 4.04 3.41 0.01 -4.49 113.62 116.87 1om3 n SER 197 Ca 0.09 -1.07 0.08 0.00 -0.26 0.00 0.00 58.87 57.71 1om3 n SER 197 Cb 0.11 0.69 0.52 0.00 -0.26 0.00 0.00 64.21 65.26 1om3 n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1om3 h LEU 198 N 0.85 0.00 -0.08 1.04 3.38 -1.69 0.51 115.31 119.33 1om3 h LEU 198 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1om3 h LEU 198 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1om3 h LEU 198 CO 0.00 0.25 -0.26 0.61 0.09 0.00 0.00 178.44 179.13 1om3 n GLY 199 N -0.30 -1.21 0.16 0.83 0.00 -1.26 -4.53 105.19 98.87 1om3 n GLY 199 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1om3 n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1om3 n THR 200 N -1.33 0.00 -3.00 2.61 -2.24 -1.05 -5.03 114.28 104.25 1om3 n THR 200 Ca 0.08 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 1om3 n THR 200 Cb 0.33 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1om3 n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1om3 s GLN 203 N -1.59 4.17 0.33 -0.78 -1.52 0.15 -5.05 119.66 115.37 1om3 s GLN 203 Ca 0.00 0.77 -0.27 0.00 -1.95 0.00 0.00 55.36 53.91 1om3 s GLN 203 Cb 0.00 -3.63 -0.09 0.00 -0.22 0.00 0.00 33.01 29.07 1om3 s GLN 203 CO 0.00 -0.43 1.03 0.95 -0.25 0.00 0.00 175.29 176.60 1om3 s THR 205 N 2.53 3.78 -0.17 -0.19 -4.23 -1.26 -4.69 115.64 111.41 1om3 s THR 205 Ca 0.31 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.38 1om3 s THR 205 Cb -0.16 -3.89 0.04 0.00 1.34 0.00 0.00 72.50 69.83 1om3 s THR 205 CO 0.09 0.19 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.95 1om3 s TYR 206 N -1.45 2.05 -0.13 3.99 2.02 -1.26 -4.98 117.35 117.59 1om3 s TYR 206 Ca 0.51 -1.27 0.02 0.00 -0.37 0.00 0.00 57.07 55.96 1om3 s TYR 206 Cb -0.25 -1.49 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1om3 s TYR 206 CO 0.31 -0.67 -0.19 0.42 -1.57 0.00 0.00 175.55 173.86 1om3 s ILE 207 N 1.52 2.41 -0.11 2.71 1.09 -1.26 -1.35 121.20 126.21 1om3 s ILE 207 Ca 0.01 -0.88 -0.13 0.00 -1.10 0.00 0.00 60.65 58.56 1om3 s ILE 207 Cb -0.15 -1.98 -0.05 0.00 -1.06 0.00 0.00 42.46 39.23 1om3 s ILE 207 CO -0.09 0.54 0.31 0.00 -0.10 0.00 0.00 174.94 175.60 1om3 s ASN 209 N -0.12 5.18 -0.15 0.00 -0.87 0.54 -1.90 114.94 117.62 1om3 s ASN 209 Ca 0.19 -0.55 -0.02 0.00 -1.57 0.00 0.00 52.86 50.91 1om3 s ASN 209 Cb -0.14 -1.91 -0.02 0.00 -0.02 0.00 0.00 41.25 39.16 1om3 s ASN 209 CO 0.07 -0.15 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.67 1om3 s VAL 210 N 1.55 3.42 -0.10 1.60 1.01 -0.01 -1.32 120.40 126.55 1om3 s VAL 210 Ca 0.04 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1om3 s VAL 210 Cb -0.17 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1om3 s VAL 210 CO 0.03 0.51 -0.22 0.21 0.00 0.00 0.00 175.10 175.63 1om3 s ASN 211 N 0.41 2.87 -0.44 3.32 2.47 -0.36 -1.24 114.94 121.97 1om3 s ASN 211 Ca -0.07 -0.52 0.04 0.00 0.42 0.00 0.00 52.86 52.72 1om3 s ASN 211 Cb -0.15 -1.31 0.12 0.00 -1.45 0.00 0.00 41.25 38.45 1om3 s ASN 211 CO 0.04 0.12 0.18 -2.28 -3.72 0.00 0.00 177.10 171.44 1om3 s HIS 212 N 0.49 3.22 0.24 0.43 5.65 0.15 -1.21 115.29 124.26 1om3 s HIS 212 Ca -0.16 -3.00 -0.06 0.00 0.25 0.00 0.00 55.06 52.09 1om3 s HIS 212 Cb -0.17 -2.74 0.32 0.00 -1.18 0.00 0.00 32.58 28.81 1om3 s HIS 212 CO 0.06 -0.82 1.85 -0.22 -0.65 0.00 0.00 174.74 174.96 1om3 h LYS 213 N 6.95 0.93 -0.20 2.88 3.64 -1.82 -2.34 116.57 126.62 1om3 h LYS 213 Ca -0.06 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1om3 h LYS 213 Cb 0.94 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1om3 h LYS 213 CO 0.61 0.62 -0.07 -1.35 -2.27 0.00 0.00 179.45 176.98 1om3 h PRO 214 N 0.96 0.30 -0.22 1.90 0.11 -1.91 -2.41 132.00 130.73 1om3 h PRO 214 Ca 0.36 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1om3 h PRO 214 Cb 0.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1om3 h PRO 214 CO -0.17 0.39 0.00 -1.13 -0.21 0.00 0.00 178.00 176.88 1om3 n SER 215 N -4.30 2.88 -3.88 -2.05 3.41 -1.13 -4.96 113.62 103.59 1om3 n SER 215 Ca -0.00 -1.91 -0.29 0.00 -0.26 0.00 0.00 58.87 56.41 1om3 n SER 215 Cb 0.24 -0.14 0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1om3 n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1om3 n ASN 216 N 1.15 -4.61 -4.53 4.04 3.02 -0.91 -4.92 115.26 108.51 1om3 n ASN 216 Ca 0.17 -0.77 -0.34 0.00 -0.03 0.00 0.00 54.58 53.62 1om3 n ASN 216 Cb 0.54 -3.98 -0.12 0.00 -0.61 0.00 0.00 39.78 35.61 1om3 n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1om3 s THR 217 N -3.34 4.05 -0.10 3.41 2.01 -0.92 -5.00 115.64 115.76 1om3 s THR 217 Ca 0.60 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1om3 s THR 217 Cb -0.30 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.45 1om3 s THR 217 CO 0.82 0.49 -0.11 -0.54 -0.69 0.00 0.00 174.62 174.60 1om3 s LYS 218 N 0.31 1.75 -0.07 4.92 1.02 -1.26 -0.68 119.74 125.73 1om3 s LYS 218 Ca -0.02 -0.38 0.01 0.00 0.02 0.00 0.00 55.97 55.60 1om3 s LYS 218 Cb -0.14 -1.60 0.02 0.00 -0.52 0.00 0.00 37.83 35.59 1om3 s LYS 218 CO 0.02 -0.12 -0.09 0.08 -0.92 0.00 0.00 175.35 174.32 1om3 s VAL 219 N 1.18 0.94 -0.19 3.17 1.01 -0.37 -5.01 120.40 121.13 1om3 s VAL 219 Ca -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1om3 s VAL 219 Cb -0.14 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1om3 s VAL 219 CO -0.03 0.32 -0.02 -1.81 0.00 0.00 0.00 175.10 173.56 1om3 s ASP 220 N 0.95 4.68 -0.12 3.32 -0.00 -1.26 -0.83 116.67 123.41 1om3 s ASP 220 Ca -0.10 -0.23 0.01 0.00 -0.00 0.00 0.00 52.55 52.24 1om3 s ASP 220 Cb -0.15 -1.79 0.02 0.00 -0.00 0.00 0.00 42.92 41.00 1om3 s ASP 220 CO 0.00 0.08 -0.16 -0.75 -0.00 0.00 0.00 175.17 174.35 1om3 s LYS 221 N 0.90 2.35 -0.05 8.23 2.47 -0.80 -4.99 119.74 127.85 1om3 s LYS 221 Ca 0.00 -0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 53.51 1om3 s LYS 221 Cb -0.14 -2.03 -0.02 0.00 -1.46 0.00 0.00 37.83 34.17 1om3 s LYS 221 CO 0.02 -0.11 1.05 0.21 0.16 0.00 0.00 175.35 176.67 1om3 s LYS 222 N 1.11 4.46 -0.21 4.03 2.20 -1.26 -1.83 119.74 128.24 1om3 s LYS 222 Ca -0.03 1.48 -0.02 0.00 -0.36 0.00 0.00 55.97 57.03 1om3 s LYS 222 Cb -0.14 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1om3 s LYS 222 CO -0.04 -0.25 -0.09 0.08 -0.36 0.00 0.00 175.35 174.69 1om3 s VAL 225 N 1.65 3.02 0.12 4.02 1.01 -0.46 -4.89 120.40 124.87 1om3 s VAL 225 Ca 0.52 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1om3 s VAL 225 Cb -0.21 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1om3 s VAL 225 CO 0.23 0.46 0.11 -1.83 0.00 0.00 0.00 175.10 174.06 1om3 s GLU 226 N 1.39 0.91 0.41 2.72 -1.05 -1.26 -4.26 118.70 117.56 1om3 s GLU 226 Ca 0.05 -1.28 -0.25 0.00 -0.15 0.00 0.00 54.97 53.34 1om3 s GLU 226 Cb -0.14 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 33.73 1om3 s GLU 226 CO -0.05 -0.27 1.18 -0.35 0.95 0.00 0.00 175.26 176.71 1om3 n PRO 227 N -0.08 1.73 0.00 -4.83 -0.04 -1.26 -4.57 135.00 125.95 1om3 n PRO 227 Ca -0.09 0.62 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 1om3 n PRO 227 Cb 0.63 -2.25 0.60 0.00 -0.04 0.00 0.00 33.50 32.44 1om3 n PRO 227 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63