#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 0.58 -3.89 6.31 0.31 -1.26 -4.70 118.33 115.68 1om3 n VAL 2 Ca 0.00 -0.15 -0.11 0.00 -0.01 0.00 0.00 64.34 64.07 1om3 n VAL 2 Cb 0.00 -1.88 -0.13 0.00 -0.91 0.00 0.00 33.84 30.92 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 0.19 0.12 0.06 5.55 -0.21 -0.58 -4.99 119.66 119.80 1om3 s GLN 3 Ca 0.69 -0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.98 1om3 s GLN 3 Cb -0.53 0.05 -0.03 0.00 1.00 0.00 0.00 33.01 33.50 1om3 s GLN 3 CO 0.42 -0.02 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.92 1om3 s LEU 4 N -0.42 2.23 -0.10 2.90 1.02 -1.26 -0.96 118.68 122.09 1om3 s LEU 4 Ca -0.05 -0.55 -0.03 0.00 0.02 0.00 0.00 54.13 53.52 1om3 s LEU 4 Cb -0.03 -0.58 0.05 0.00 0.02 0.00 0.00 46.19 45.65 1om3 s LEU 4 CO -0.00 -0.02 0.08 -0.69 0.02 0.00 0.00 176.35 175.74 1om3 s VAL 5 N -1.07 -0.11 0.49 -1.59 1.01 -0.27 -4.07 120.40 114.79 1om3 s VAL 5 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1om3 s VAL 5 Cb -0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.87 1om3 s VAL 5 CO 0.02 -0.04 0.90 -1.61 0.00 0.00 0.00 175.10 174.36 1om3 s GLU 6 N 2.16 3.79 0.06 2.72 8.01 -1.26 -0.81 118.70 133.38 1om3 s GLU 6 Ca 0.04 0.67 -0.13 0.00 0.01 0.00 0.00 54.97 55.56 1om3 s GLU 6 Cb -0.14 -2.24 0.02 0.00 -4.31 0.00 0.00 34.13 27.46 1om3 s GLU 6 CO -0.06 -0.23 0.31 0.45 0.01 0.00 0.00 175.26 175.74 1om3 s SER 7 N -3.38 -0.11 0.00 -0.19 0.15 0.13 -4.89 113.70 105.41 1om3 s SER 7 Ca 0.54 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1om3 s SER 7 Cb -0.10 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1om3 s SER 7 CO 0.36 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1om3 n GLY 8 N 0.37 0.65 3.59 9.45 0.00 -1.26 -0.88 105.19 117.11 1om3 n GLY 8 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1om3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om3 n GLY 9 N -1.27 -0.85 0.00 -0.02 0.00 -1.26 -4.75 105.19 97.04 1om3 n GLY 9 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1om3 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1om3 n GLY 10 N 0.66 -0.63 3.50 -0.02 0.00 -0.69 -4.97 105.19 103.05 1om3 n GLY 10 Ca 0.11 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 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 3.44 0.25 0.99 2.96 -1.26 -1.42 118.68 123.63 1om3 s LEU 11 Ca 0.00 -0.12 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1om3 s LEU 11 Cb 0.00 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 1om3 s LEU 11 CO 0.00 0.08 -0.13 0.68 -1.32 0.00 0.00 176.35 175.66 1om3 s VAL 12 N 0.90 1.89 0.22 1.68 -7.23 -0.59 -5.00 120.40 112.28 1om3 s VAL 12 Ca 0.02 -2.23 -0.11 0.00 -1.81 0.00 0.00 61.98 57.85 1om3 s VAL 12 Cb -0.14 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 1om3 s VAL 12 CO 0.02 -0.46 0.57 -0.54 -0.31 0.00 0.00 175.10 174.38 1om3 s LYS 13 N -3.64 3.87 0.27 4.82 1.02 -1.26 -1.53 119.74 123.30 1om3 s LYS 13 Ca 0.26 0.38 -0.30 0.00 0.02 0.00 0.00 55.97 56.33 1om3 s LYS 13 Cb -0.00 -2.69 -0.13 0.00 -0.52 0.00 0.00 37.83 34.49 1om3 s LYS 13 CO 0.10 0.34 1.40 0.00 -0.92 0.00 0.00 175.35 176.27 1om3 n ALA 14 N 0.07 1.34 0.00 5.17 0.00 -0.62 -1.12 120.51 125.35 1om3 n ALA 14 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1om3 n ALA 14 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.80 2.59 3.94 0.00 0.00 0.30 -4.28 105.19 109.53 1om3 n GLY 15 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1om3 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1om3 s GLY 16 N -2.29 1.76 0.10 -0.02 0.00 -0.27 -3.98 107.32 102.62 1om3 s GLY 16 Ca 0.00 -1.21 0.08 0.00 0.00 0.00 0.00 44.72 43.60 1om3 s GLY 16 CO 0.00 -0.49 -0.17 -0.56 0.00 0.00 0.00 173.10 171.88 1om3 s SER 17 N -4.85 3.91 -0.11 1.64 0.01 -1.26 -1.82 113.70 111.23 1om3 s SER 17 Ca 0.72 -0.52 -0.10 0.00 1.31 0.00 0.00 55.95 57.36 1om3 s SER 17 Cb -0.05 -0.58 0.03 0.00 0.21 0.00 0.00 66.02 65.63 1om3 s SER 17 CO 0.52 0.19 0.28 -0.22 0.41 0.00 0.00 173.24 174.42 1om3 s LEU 18 N -2.02 0.91 -0.11 2.44 2.96 -0.51 -5.01 118.68 117.35 1om3 s LEU 18 Ca 0.18 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1om3 s LEU 18 Cb -0.11 0.96 -0.02 0.00 0.50 0.00 0.00 46.19 47.53 1om3 s LEU 18 CO 0.09 -0.10 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.24 1om3 s ILE 19 N 0.17 2.89 0.10 6.68 1.09 -1.26 -1.24 121.20 129.63 1om3 s ILE 19 Ca -0.00 -0.74 0.04 0.00 -1.10 0.00 0.00 60.65 58.85 1om3 s ILE 19 Cb -0.02 -2.18 -0.04 0.00 -1.06 0.00 0.00 42.46 39.16 1om3 s ILE 19 CO 0.00 0.54 0.08 -0.76 -0.10 0.00 0.00 174.94 174.70 1om3 s LEU 20 N 0.10 3.75 0.14 2.97 1.43 -0.45 -4.61 118.68 121.99 1om3 s LEU 20 Ca -0.07 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1om3 s LEU 20 Cb -0.15 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1om3 s LEU 20 CO 0.05 0.15 -0.12 -0.94 0.23 0.00 0.00 176.35 175.72 1om3 s SER 21 N -2.51 1.95 -0.08 2.29 1.04 -0.06 -1.35 113.70 114.98 1om3 s SER 21 Ca 0.29 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.84 1om3 s SER 21 Cb -0.12 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1om3 s SER 21 CO 0.22 -0.22 -0.10 0.00 0.98 0.00 0.00 173.24 174.12 1om3 s GLY 23 N 1.00 2.18 0.06 0.00 0.00 0.01 -1.62 107.32 108.96 1om3 s GLY 23 Ca -0.08 -1.94 -0.00 0.00 0.00 0.00 0.00 44.72 42.70 1om3 s GLY 23 CO -0.00 -1.75 -0.03 -1.34 0.00 0.00 0.00 173.10 169.98 1om3 s VAL 24 N -2.50 0.30 -0.01 1.40 -7.23 -1.25 -1.12 120.40 109.99 1om3 s VAL 24 Ca 0.46 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1om3 s VAL 24 Cb -0.02 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1om3 s VAL 24 CO 0.27 -0.94 -0.05 -0.44 -0.31 0.00 0.00 175.10 173.62 1om3 s SER 25 N -2.95 0.69 -0.69 4.85 0.01 -0.13 -4.89 113.70 110.58 1om3 s SER 25 Ca 0.09 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1om3 s SER 25 Cb 0.07 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1om3 s SER 25 CO -0.08 0.05 0.00 0.59 0.41 0.00 0.00 173.24 174.20 1om3 n ASN 26 N 3.14 -3.78 -3.63 2.44 3.02 -1.26 -1.52 115.26 113.67 1om3 n ASN 26 Ca -0.15 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1om3 n ASN 26 Cb 0.57 -1.87 -0.02 0.00 -0.61 0.00 0.00 39.78 37.85 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 -2.24 -0.36 -0.18 3.10 -0.12 -1.26 -4.73 117.98 112.19 1om3 s PHE 27 Ca 0.00 0.04 -0.07 0.00 -0.05 0.00 0.00 56.93 56.85 1om3 s PHE 27 Cb 0.00 0.63 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1om3 s PHE 27 CO 0.00 -1.00 0.06 1.03 -0.05 0.00 0.00 175.22 175.26 1om3 s ARG 28 N -3.77 3.96 0.59 1.99 1.81 -1.26 -4.98 118.95 117.28 1om3 s ARG 28 Ca 0.06 -0.35 0.36 0.00 -1.72 0.00 0.00 55.73 54.07 1om3 s ARG 28 Cb -0.03 -3.20 1.82 0.00 -0.45 0.00 0.00 34.95 33.09 1om3 s ARG 28 CO -0.03 0.26 2.18 -0.84 -0.68 0.00 0.00 175.30 176.18 1om3 h ILE 29 N 4.90 0.21 -0.59 1.52 -2.65 -1.94 -3.36 117.51 115.60 1om3 h ILE 29 Ca -0.37 -0.30 0.09 0.00 1.03 0.00 0.00 64.86 65.31 1om3 h ILE 29 Cb 1.17 1.24 -0.04 0.00 -2.05 0.00 0.00 36.82 37.14 1om3 h ILE 29 CO 0.70 0.04 0.40 0.77 0.03 0.00 0.00 178.15 180.08 1om3 h SER 30 N 0.00 0.41 -0.05 2.16 4.64 -1.95 -0.21 113.55 118.56 1om3 h SER 30 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1om3 h SER 30 Cb 0.24 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1om3 h SER 30 CO 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.22 1om3 n ALA 31 N -2.51 2.60 -2.41 5.18 0.00 -1.26 -4.65 120.51 117.46 1om3 n ALA 31 Ca 0.09 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.90 1om3 n ALA 31 Cb 0.33 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.94 2.52 0.27 0.00 3.76 -0.09 -4.77 115.29 115.03 1om3 s HIS 32 Ca 0.36 -0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.68 1om3 s HIS 32 Cb 0.18 -1.53 -0.10 0.00 1.11 0.00 0.00 32.58 32.24 1om3 s HIS 32 CO 0.29 0.12 1.37 0.99 -0.85 0.00 0.00 174.74 176.66 1om3 s THR 33 N -0.74 2.78 0.06 1.30 2.01 -1.26 -4.40 115.64 115.38 1om3 s THR 33 Ca 0.12 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.87 1om3 s THR 33 Cb -0.10 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1om3 s THR 33 CO 0.01 0.13 -0.10 -0.04 -0.69 0.00 0.00 174.62 173.93 1om3 s MET 34 N -0.86 2.29 0.05 4.92 1.00 -0.96 -1.59 119.30 124.15 1om3 s MET 34 Ca 0.55 -0.90 0.03 0.00 0.00 0.00 0.00 55.69 55.37 1om3 s MET 34 Cb -0.40 -2.37 -0.03 0.00 0.00 0.00 0.00 34.83 32.04 1om3 s MET 34 CO 0.46 0.55 -0.09 -0.80 0.00 0.00 0.00 175.02 175.14 1om3 s ASN 35 N -1.78 1.02 -0.09 3.03 0.01 -0.05 -1.57 114.94 115.50 1om3 s ASN 35 Ca 0.19 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1om3 s ASN 35 Cb -0.11 0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.55 1om3 s ASN 35 CO 0.10 -0.20 -0.12 0.26 -1.51 0.00 0.00 177.10 175.63 1om3 s TRP 36 N -1.51 2.79 0.04 2.20 0.52 -0.46 -0.09 118.94 122.43 1om3 s TRP 36 Ca -0.07 -0.33 0.02 0.00 0.02 0.00 0.00 56.10 55.74 1om3 s TRP 36 Cb -0.09 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 1om3 s TRP 36 CO 0.00 0.04 -0.07 0.08 0.02 0.00 0.00 176.95 177.03 1om3 s VAL 37 N -0.27 0.46 0.03 4.03 1.01 -0.30 -1.05 120.40 124.31 1om3 s VAL 37 Ca 0.02 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1om3 s VAL 37 Cb -0.13 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 1om3 s VAL 37 CO 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 175.10 174.66 1om3 s ARG 38 N -1.45 0.69 -0.24 2.72 1.70 -0.33 -0.14 118.95 121.90 1om3 s ARG 38 Ca -0.10 -0.66 -0.09 0.00 -0.47 0.00 0.00 55.73 54.41 1om3 s ARG 38 Cb -0.09 -0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 33.63 1om3 s ARG 38 CO 0.00 0.14 0.13 0.50 -1.08 0.00 0.00 175.30 175.00 1om3 s ARG 39 N -1.13 3.95 0.32 3.89 3.52 -0.31 -0.23 118.95 128.96 1om3 s ARG 39 Ca -0.03 -0.33 -0.01 0.00 -0.13 0.00 0.00 55.73 55.23 1om3 s ARG 39 Cb -0.08 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1om3 s ARG 39 CO 0.01 0.01 0.54 0.14 -0.81 0.00 0.00 175.30 175.18 1om3 s VAL 40 N 1.18 5.09 0.33 7.11 -7.23 -0.02 -2.61 120.40 124.24 1om3 s VAL 40 Ca 0.06 -0.28 -0.27 0.00 -1.81 0.00 0.00 61.98 59.68 1om3 s VAL 40 Cb -0.14 -3.81 -0.13 0.00 0.56 0.00 0.00 36.38 32.86 1om3 s VAL 40 CO 0.05 -0.46 1.09 -2.65 -0.31 0.00 0.00 175.10 172.82 1om3 n PRO 41 N -1.43 1.58 0.00 4.82 -0.02 -1.26 -1.20 135.00 137.49 1om3 n PRO 41 Ca -0.04 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1om3 n PRO 41 Cb 0.55 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1om3 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1om3 n GLY 42 N 1.08 1.34 0.08 -1.23 0.00 -1.26 -4.67 105.19 100.53 1om3 n GLY 42 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 1.25 3.80 -0.02 0.00 -0.34 -5.06 105.19 102.82 1om3 n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.33 2.46 0.09 -0.02 0.00 -1.25 -4.80 107.32 101.48 1om3 s GLY 44 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 44.72 45.21 1om3 s GLY 44 CO 0.00 0.88 0.37 1.08 0.00 0.00 0.00 173.10 175.44 1om3 s LEU 45 N -3.55 4.32 -0.09 0.66 1.43 -1.26 -0.84 118.68 119.35 1om3 s LEU 45 Ca 0.66 0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 54.42 1om3 s LEU 45 Cb -0.16 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.05 1om3 s LEU 45 CO 0.21 0.14 0.09 -0.70 0.23 0.00 0.00 176.35 176.32 1om3 s GLU 46 N -2.16 -0.01 0.16 1.70 2.12 0.67 -4.97 118.70 116.21 1om3 s GLU 46 Ca 0.35 0.26 -0.32 0.00 0.36 0.00 0.00 54.97 55.62 1om3 s GLU 46 Cb -0.13 -0.91 -0.10 0.00 0.26 0.00 0.00 34.13 33.25 1om3 s GLU 46 CO 0.20 -0.45 1.56 -0.46 -0.54 0.00 0.00 175.26 175.57 1om3 s TRP 47 N 2.19 3.05 -0.15 5.30 -0.00 -1.26 -1.18 118.94 126.88 1om3 s TRP 47 Ca 0.04 0.63 -0.11 0.00 -0.00 0.00 0.00 56.10 56.66 1om3 s TRP 47 Cb -0.13 -3.92 -0.06 0.00 -0.00 0.00 0.00 33.47 29.36 1om3 s TRP 47 CO -0.06 -3.38 -0.24 0.28 -0.00 0.00 0.00 176.95 173.55 1om3 n VAL 48 N 4.00 1.20 -3.56 5.86 0.31 -0.22 -4.53 118.33 121.39 1om3 n VAL 48 Ca 0.14 -0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.30 1om3 n VAL 48 Cb 0.39 -1.90 -0.03 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 -2.46 -1.28 -0.01 3.52 0.00 -1.03 -1.01 121.76 119.48 1om3 s ALA 49 Ca -0.24 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1om3 s ALA 49 Cb 0.07 0.83 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1om3 s ALA 49 CO 0.31 -0.76 0.08 0.45 0.00 0.00 0.00 175.76 175.84 1om3 s SER 50 N -2.80 0.00 -0.05 0.00 0.15 -0.29 -1.35 113.70 109.36 1om3 s SER 50 Ca 0.04 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 1om3 s SER 50 Cb -0.01 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 1om3 s SER 50 CO -0.09 -0.17 0.01 -0.51 1.20 0.00 0.00 173.24 173.67 1om3 s ILE 51 N -0.62 0.21 0.88 6.45 1.10 -0.61 -1.10 121.20 127.52 1om3 s ILE 51 Ca -0.07 0.17 -0.12 0.00 -0.51 0.00 0.00 60.65 60.12 1om3 s ILE 51 Cb -0.04 -0.37 0.12 0.00 0.15 0.00 0.00 42.46 42.32 1om3 s ILE 51 CO 0.00 0.21 1.14 -0.94 -2.11 0.00 0.00 174.94 173.23 1om3 s SER 52 N 1.67 3.76 0.49 4.50 1.04 -0.69 -2.27 113.70 122.20 1om3 s SER 52 Ca -0.00 1.00 -0.23 0.00 0.48 0.00 0.00 55.95 57.19 1om3 s SER 52 Cb -0.13 -1.59 -0.06 0.00 0.10 0.00 0.00 66.02 64.34 1om3 s SER 52 CO -0.03 -2.40 1.30 0.42 0.98 0.00 0.00 173.24 173.51 1om3 s THR 52 N -3.29 2.43 -0.35 2.02 -4.23 -1.26 -1.76 115.64 109.20 1om3 s THR 52 Ca 0.63 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 1om3 s THR 52 Cb -0.14 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1om3 s THR 52 CO 0.53 0.01 0.00 -1.20 -0.54 0.00 0.00 174.62 173.42 1om3 n SER 53 N -0.65 -5.58 -3.82 3.99 7.64 -1.26 -2.98 113.62 110.95 1om3 n SER 53 Ca 0.08 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.75 1om3 n SER 53 Cb 0.45 -3.37 0.01 0.00 -1.01 0.00 0.00 64.21 60.29 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 -0.91 -4.41 0.27 6.43 7.64 -0.72 -4.85 113.62 117.08 1om3 n SER 54 Ca -0.03 -0.72 0.14 0.00 1.01 0.00 0.00 58.87 59.26 1om3 n SER 54 Cb 0.47 -3.56 0.79 0.00 -1.01 0.00 0.00 64.21 60.90 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 -1.72 0.54 -2.44 0.44 1.35 -1.72 -3.45 112.91 105.91 1om3 h THR 55 Ca -0.55 -0.38 -0.09 0.00 -0.55 0.00 0.00 66.41 64.85 1om3 h THR 55 Cb 1.36 1.24 -0.22 0.00 -1.73 0.00 0.00 68.15 68.80 1om3 h THR 55 CO 0.66 0.08 -0.07 -0.47 -0.25 0.00 0.00 175.52 175.47 1om3 s TYR 56 N -4.31 -0.56 -0.10 4.73 5.04 -1.26 -5.03 117.35 115.85 1om3 s TYR 56 Ca -0.03 1.31 0.02 0.00 -2.44 0.00 0.00 57.07 55.93 1om3 s TYR 56 Cb 0.14 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.67 1om3 s TYR 56 CO 0.57 -0.33 -0.17 1.03 -1.34 0.00 0.00 175.55 175.31 1om3 s ARG 57 N -0.01 2.31 0.02 4.97 0.52 -1.26 -1.70 118.95 123.80 1om3 s ARG 57 Ca -0.02 -0.61 0.07 0.00 -0.52 0.00 0.00 55.73 54.64 1om3 s ARG 57 Cb -0.04 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.52 1om3 s ARG 57 CO 0.02 0.01 -0.19 0.34 0.02 0.00 0.00 175.30 175.49 1om3 s ASP 58 N 0.78 2.30 0.01 0.23 2.15 -0.26 -4.97 116.67 116.92 1om3 s ASP 58 Ca -0.11 -0.46 0.02 0.00 0.43 0.00 0.00 52.55 52.44 1om3 s ASP 58 Cb -0.16 -0.21 -0.01 0.00 -0.30 0.00 0.00 42.92 42.24 1om3 s ASP 58 CO 0.02 0.17 -0.08 -0.31 -0.17 0.00 0.00 175.17 174.80 1om3 s TYR 59 N -0.69 0.70 0.60 -5.34 1.51 -1.26 -1.13 117.35 111.73 1om3 s TYR 59 Ca 0.07 -0.24 -0.19 0.00 -1.01 0.00 0.00 57.07 55.70 1om3 s TYR 59 Cb -0.08 -0.44 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1om3 s TYR 59 CO 0.01 -0.02 1.24 0.00 -1.11 0.00 0.00 175.55 175.67 1om3 s ALA 60 N -0.55 2.55 0.28 3.71 0.00 -0.18 -4.79 121.76 122.77 1om3 s ALA 60 Ca -0.01 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 1om3 s ALA 60 Cb -0.05 -3.49 0.64 0.00 0.00 0.00 0.00 23.12 20.22 1om3 s ALA 60 CO 0.00 -1.27 1.65 -0.44 0.00 0.00 0.00 175.76 175.71 1om3 h ASP 61 N 0.90 -0.02 0.37 0.00 3.32 -1.93 -1.57 116.42 117.49 1om3 h ASP 61 Ca -0.51 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1om3 h ASP 61 Cb 1.31 0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1om3 h ASP 61 CO 0.55 -0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.94 1om3 n ALA 62 N -2.72 1.75 0.00 3.45 0.00 -1.26 -3.11 120.51 118.62 1om3 n ALA 62 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1om3 n ALA 62 Cb 0.62 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.38 0.00 -1.65 0.00 0.24 -0.66 -5.01 118.33 109.87 1om3 n VAL 63 Ca 0.05 -0.39 -0.47 0.00 -2.04 0.00 0.00 64.34 61.50 1om3 n VAL 63 Cb 0.14 0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 1om3 n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1om3 n LYS 64 N -0.84 1.91 -0.07 7.34 4.76 -0.80 -1.39 118.16 129.08 1om3 n LYS 64 Ca 0.00 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1om3 n LYS 64 Cb 0.00 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 30.81 1om3 n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1om3 n GLY 65 N 2.80 2.16 0.03 0.72 0.00 -1.26 -4.79 105.19 104.85 1om3 n GLY 65 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 1.77 -4.14 1.61 1.74 -0.48 -5.04 116.66 110.13 1om3 n ARG 66 Ca 0.00 0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 1om3 n ARG 66 Cb 0.00 -1.14 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.14 2.97 -0.03 -1.55 0.40 -0.87 -1.17 117.98 115.60 1om3 s PHE 67 Ca -0.06 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1om3 s PHE 67 Cb 0.02 -1.51 0.01 0.00 0.51 0.00 0.00 43.02 42.05 1om3 s PHE 67 CO 0.20 0.48 -0.07 0.99 0.70 0.00 0.00 175.22 177.53 1om3 s THR 68 N -1.38 0.63 -0.12 0.64 2.01 -0.20 -4.91 115.64 112.30 1om3 s THR 68 Ca 0.26 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 1om3 s THR 68 Cb -0.11 -0.59 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 1om3 s THR 68 CO 0.18 0.22 0.02 0.54 -0.69 0.00 0.00 174.62 174.89 1om3 s VAL 69 N 0.40 4.43 0.09 3.82 0.11 -1.26 -0.16 120.40 127.83 1om3 s VAL 69 Ca -0.06 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1om3 s VAL 69 Cb -0.10 -2.92 -0.04 0.00 -1.53 0.00 0.00 36.38 31.80 1om3 s VAL 69 CO 0.00 0.55 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.81 1om3 s SER 70 N -0.37 1.17 0.06 3.54 0.01 -0.83 -5.01 113.70 112.28 1om3 s SER 70 Ca 0.08 -0.84 0.05 0.00 1.31 0.00 0.00 55.95 56.55 1om3 s SER 70 Cb -0.12 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 1om3 s SER 70 CO 0.02 -0.34 -0.15 0.00 0.41 0.00 0.00 173.24 173.17 1om3 s ARG 71 N -3.01 0.94 -0.46 12.44 1.70 -1.26 -0.89 118.95 128.41 1om3 s ARG 71 Ca 0.05 -0.87 0.03 0.00 -0.47 0.00 0.00 55.73 54.47 1om3 s ARG 71 Cb -0.01 -0.98 0.13 0.00 -0.57 0.00 0.00 34.95 33.52 1om3 s ARG 71 CO -0.02 0.23 0.22 0.34 -1.08 0.00 0.00 175.30 174.99 1om3 s ASP 72 N -1.41 4.09 0.49 -2.89 -1.08 0.16 -4.99 116.67 111.06 1om3 s ASP 72 Ca 0.01 -2.68 0.32 0.00 -0.52 0.00 0.00 52.55 49.68 1om3 s ASP 72 Cb -0.09 -1.36 1.27 0.00 -1.46 0.00 0.00 42.92 41.29 1om3 s ASP 72 CO 0.02 -0.27 1.93 0.44 0.52 0.00 0.00 175.17 177.80 1om3 h ASP 73 N 6.81 0.00 -0.01 -0.34 3.32 -1.97 0.19 116.42 124.42 1om3 h ASP 73 Ca -0.05 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.75 1om3 h ASP 73 Cb 0.93 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.49 1om3 h ASP 73 CO 0.58 0.00 -0.96 -0.07 -1.72 0.00 0.00 179.24 177.07 1om3 h LEU 74 N 0.00 0.89 -2.95 1.55 3.38 -1.96 -3.35 115.31 112.87 1om3 h LEU 74 Ca 0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1om3 h LEU 74 Cb 0.50 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1om3 h LEU 74 CO 0.00 1.47 0.00 -0.62 0.09 0.00 0.00 178.44 179.38 1om3 n GLU 75 N -3.87 2.91 -2.73 1.13 1.02 -1.24 -5.05 120.64 112.82 1om3 n GLU 75 Ca -0.10 -1.81 -0.06 0.00 -0.02 0.00 0.00 57.16 55.18 1om3 n GLU 75 Cb 0.84 -1.15 0.03 0.00 -0.02 0.00 0.00 31.44 31.13 1om3 n GLU 75 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1om3 n ASP 76 N -0.00 -5.85 -4.06 1.62 9.92 -0.01 -4.92 116.55 113.25 1om3 n ASP 76 Ca 0.06 -0.30 -0.14 0.00 -0.53 0.00 0.00 54.79 53.88 1om3 n ASP 76 Cb 0.35 -4.09 -0.12 0.00 -0.64 0.00 0.00 41.12 36.63 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 -3.15 0.73 0.02 1.24 0.40 -0.81 -3.93 117.98 112.48 1om3 s PHE 77 Ca 0.18 -0.43 0.07 0.00 -0.60 0.00 0.00 56.93 56.14 1om3 s PHE 77 Cb -0.02 -0.43 -0.02 0.00 0.51 0.00 0.00 43.02 43.05 1om3 s PHE 77 CO 0.55 -0.05 -0.20 0.08 0.70 0.00 0.00 175.22 176.30 1om3 s VAL 78 N -1.17 1.59 0.07 -0.44 1.01 -0.64 0.41 120.40 121.23 1om3 s VAL 78 Ca -0.07 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 60.94 1om3 s VAL 78 Cb -0.09 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1om3 s VAL 78 CO 0.01 0.29 -0.21 -0.31 0.00 0.00 0.00 175.10 174.87 1om3 s TYR 79 N -0.67 1.85 -0.17 5.22 2.02 -0.07 -0.11 117.35 125.42 1om3 s TYR 79 Ca 0.07 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1om3 s TYR 79 Cb -0.08 -1.06 0.04 0.00 -0.40 0.00 0.00 41.96 40.46 1om3 s TYR 79 CO 0.01 0.15 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.92 1om3 s LEU 80 N -1.52 1.67 -0.05 -1.29 2.96 -0.46 -1.96 118.68 118.04 1om3 s LEU 80 Ca 0.08 -0.71 -0.21 0.00 -0.22 0.00 0.00 54.13 53.06 1om3 s LEU 80 Cb -0.09 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1om3 s LEU 80 CO 0.03 -0.19 0.62 -1.10 -1.32 0.00 0.00 176.35 174.39 1om3 s GLN 81 N 1.62 4.38 -0.18 1.98 -0.21 0.77 -1.35 119.66 126.67 1om3 s GLN 81 Ca 0.00 0.75 0.01 0.00 0.02 0.00 0.00 55.36 56.14 1om3 s GLN 81 Cb -0.16 -3.41 0.03 0.00 1.00 0.00 0.00 33.01 30.48 1om3 s GLN 81 CO -0.08 0.19 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.52 1om3 s MET 82 N 0.41 2.27 0.31 2.91 -1.94 -0.37 -1.04 119.30 121.85 1om3 s MET 82 Ca 0.33 -0.78 0.10 0.00 -1.71 0.00 0.00 55.69 53.63 1om3 s MET 82 Cb -0.17 -2.36 -0.05 0.00 2.01 0.00 0.00 34.83 34.25 1om3 s MET 82 CO 0.16 -0.34 -0.05 -1.01 -0.01 0.00 0.00 175.02 173.77 1om3 s HIS 82 N 1.39 2.51 -1.36 -0.03 3.76 -0.32 -1.42 115.29 119.81 1om3 s HIS 82 Ca 0.01 -0.37 -0.08 0.00 -0.15 0.00 0.00 55.06 54.47 1om3 s HIS 82 Cb -0.15 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.25 1om3 s HIS 82 CO -0.10 0.57 0.43 1.63 -0.85 0.00 0.00 174.74 176.43 1om3 n LYS 82 N -0.85 -2.16 -2.12 1.40 5.02 -1.18 -4.74 118.16 113.54 1om3 n LYS 82 Ca -0.05 0.32 -0.40 0.00 -2.02 0.00 0.00 58.31 56.16 1om3 n LYS 82 Cb 0.61 -4.06 -0.01 0.00 -0.02 0.00 0.00 35.03 31.55 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 -6.71 4.18 0.32 1.97 -1.94 -0.75 -4.58 119.30 111.79 1om3 s MET 82 Ca 0.14 2.15 0.09 0.00 -1.71 0.00 0.00 55.69 56.35 1om3 s MET 82 Cb -0.06 -2.91 -0.04 0.00 2.01 0.00 0.00 34.83 33.82 1om3 s MET 82 CO 0.91 -0.31 0.09 1.03 -0.01 0.00 0.00 175.02 176.73 1om3 s ARG 83 N -2.01 2.33 0.43 2.03 0.52 -1.26 0.11 118.95 121.10 1om3 s ARG 83 Ca 0.53 -1.52 0.13 0.00 -0.52 0.00 0.00 55.73 54.35 1om3 s ARG 83 Cb -0.38 -2.15 1.01 0.00 0.52 0.00 0.00 34.95 33.95 1om3 s ARG 83 CO 0.50 0.19 1.98 0.28 0.02 0.00 0.00 175.30 178.27 1om3 h VAL 84 N 1.67 0.91 0.00 3.52 2.07 -1.90 -0.90 116.25 121.62 1om3 h VAL 84 Ca -0.44 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1om3 h VAL 84 Cb 1.25 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1om3 h VAL 84 CO 0.63 0.08 0.00 -1.84 0.02 0.00 0.00 177.57 176.46 1om3 n GLU 85 N -4.47 0.57 0.00 1.57 0.00 -1.26 -1.69 120.64 115.36 1om3 n GLU 85 Ca 0.10 0.03 0.14 0.00 0.00 0.00 0.00 57.16 57.43 1om3 n GLU 85 Cb 0.36 -1.50 0.61 0.00 0.00 0.00 0.00 31.44 30.91 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 -1.13 0.19 -4.69 -1.84 8.00 -0.34 -4.87 116.55 111.87 1om3 n ASP 86 Ca 0.15 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 1om3 n ASP 86 Cb 0.13 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 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 -2.73 2.77 0.00 -3.53 2.01 -0.68 -4.86 115.64 108.61 1om3 s THR 87 Ca 0.22 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.44 1om3 s THR 87 Cb 0.19 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1om3 s THR 87 CO 0.51 -0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 1om3 n ALA 88 N 5.78 0.00 -2.69 7.40 0.00 -0.36 -4.64 120.51 125.99 1om3 n ALA 88 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 1om3 n ALA 88 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 1om3 n ALA 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1om3 s ILE 89 N -2.00 5.18 -0.13 0.00 1.09 -1.07 -0.27 121.20 124.00 1om3 s ILE 89 Ca 0.00 0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 60.35 1om3 s ILE 89 Cb 0.00 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 1om3 s ILE 89 CO 0.00 0.27 0.01 -0.31 -0.10 0.00 0.00 174.94 174.81 1om3 s TYR 90 N 1.10 3.17 -0.03 3.97 1.51 0.94 -1.16 117.35 126.85 1om3 s TYR 90 Ca 0.22 0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.42 1om3 s TYR 90 Cb -0.15 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1om3 s TYR 90 CO 0.09 0.29 -0.25 0.71 -1.11 0.00 0.00 175.55 175.28 1om3 s TYR 91 N -0.31 2.28 0.11 2.71 1.51 0.81 -0.37 117.35 124.10 1om3 s TYR 91 Ca 0.07 -0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 55.47 1om3 s TYR 91 Cb -0.12 -1.47 -0.07 0.00 -0.11 0.00 0.00 41.96 40.18 1om3 s TYR 91 CO 0.02 -0.07 0.60 0.00 -1.11 0.00 0.00 175.55 175.00 1om3 s ALA 93 N -1.21 0.31 -0.09 0.00 0.00 0.87 -1.78 121.76 119.86 1om3 s ALA 93 Ca 0.32 0.06 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 1om3 s ALA 93 Cb -0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1om3 s ALA 93 CO 0.20 -0.02 0.63 0.50 0.00 0.00 0.00 175.76 177.07 1om3 s ARG 94 N 0.65 4.40 0.18 0.00 3.52 -0.23 -0.87 118.95 126.59 1om3 s ARG 94 Ca -0.07 0.75 -0.30 0.00 -0.13 0.00 0.00 55.73 55.98 1om3 s ARG 94 Cb -0.10 -3.45 -0.08 0.00 -1.56 0.00 0.00 34.95 29.77 1om3 s ARG 94 CO -0.01 0.08 1.00 0.21 -0.81 0.00 0.00 175.30 175.77 1om3 s LYS 95 N 0.80 4.72 0.85 5.12 2.20 -0.62 -2.29 119.74 130.52 1om3 s LYS 95 Ca 0.34 1.56 -0.13 0.00 -0.36 0.00 0.00 55.97 57.38 1om3 s LYS 95 Cb -0.17 -3.31 0.09 0.00 -1.51 0.00 0.00 37.83 32.93 1om3 s LYS 95 CO 0.15 0.28 1.03 0.41 -0.36 0.00 0.00 175.35 176.86 1om3 n GLY 96 N 1.88 -0.50 2.71 5.54 0.00 -0.08 -4.34 105.19 110.40 1om3 n GLY 96 Ca 0.01 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.20 0.82 0.05 1.61 0.15 -1.26 -4.55 113.70 108.33 1om3 s SER 97 Ca 0.69 0.06 0.08 0.00 0.70 0.00 0.00 55.95 57.47 1om3 s SER 97 Cb -0.27 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1om3 s SER 97 CO 0.56 -0.21 -0.21 -1.81 1.20 0.00 0.00 173.24 172.77 1om3 s ASP 98 N 1.80 3.63 0.06 5.45 1.11 -1.26 -5.00 116.67 122.47 1om3 s ASP 98 Ca 0.00 -0.50 0.16 0.00 0.18 0.00 0.00 52.55 52.40 1om3 s ASP 98 Cb -0.12 -0.51 0.69 0.00 1.07 0.00 0.00 42.92 44.05 1om3 s ASP 98 CO -0.03 0.24 1.51 0.54 1.18 0.00 0.00 175.17 178.62 1om3 n ARG 99 N 1.49 0.05 -2.74 8.23 5.12 -1.26 -4.05 116.66 123.50 1om3 n ARG 99 Ca -0.16 0.30 -0.08 0.00 -1.93 0.00 0.00 57.85 55.98 1om3 n ARG 99 Cb 0.52 -1.59 0.06 0.00 -1.16 0.00 0.00 32.46 30.29 1om3 n ARG 99 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1om3 n LEU 100 N -1.68 -2.74 0.00 0.55 4.77 -1.26 -4.99 117.00 111.65 1om3 n LEU 100 Ca 0.03 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 1om3 n LEU 100 Cb 0.18 0.83 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1om3 n LEU 100 CO 0.15 1.98 0.03 -1.20 -1.33 0.00 0.00 177.39 177.01 1om3 n SER 100 N 1.51 0.00 0.00 -1.43 7.64 -1.26 -5.09 113.62 115.00 1om3 n SER 100 Ca 0.08 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1om3 n SER 100 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1om3 n SER 100 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1om3 n ASP 100 N 0.00 0.00 -3.63 6.43 8.00 -1.26 -4.41 116.55 121.67 1om3 n ASP 100 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1om3 n ASP 100 Cb 0.45 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.38 1om3 n ASP 100 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1om3 s ASN 100 N 0.00 2.35 0.20 -2.24 2.47 -1.26 -5.05 114.94 111.42 1om3 s ASN 100 Ca 0.00 -0.60 0.10 0.00 0.42 0.00 0.00 52.86 52.78 1om3 s ASN 100 Cb 0.00 -0.29 -0.04 0.00 -1.45 0.00 0.00 41.25 39.47 1om3 s ASN 100 CO 0.00 -0.34 -0.11 -1.81 -3.72 0.00 0.00 177.10 171.13 1om3 s ASP 100 N 2.10 4.14 1.04 -4.21 -0.00 -1.26 -5.09 116.67 113.38 1om3 s ASP 100 Ca 0.02 -0.66 -0.07 0.00 -0.00 0.00 0.00 52.55 51.83 1om3 s ASP 100 Cb -0.16 -0.65 0.11 0.00 -0.00 0.00 0.00 42.92 42.22 1om3 s ASP 100 CO -0.08 0.08 0.51 -0.81 -0.00 0.00 0.00 175.17 174.87 1om3 n PRO 100 N -0.13 -1.04 -3.08 8.23 -0.04 -1.26 -4.42 135.00 133.26 1om3 n PRO 100 Ca -0.10 -0.80 -0.45 0.00 -0.04 0.00 0.00 63.50 62.11 1om3 n PRO 100 Cb 0.56 -0.61 -0.04 0.00 -0.04 0.00 0.00 33.50 33.38 1om3 n PRO 100 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1om3 s PHE 100 N -2.06 3.05 -0.79 0.54 0.40 -1.26 -0.90 117.98 116.96 1om3 s PHE 100 Ca 0.30 -1.08 0.24 0.00 -0.60 0.00 0.00 56.93 55.80 1om3 s PHE 100 Cb -0.02 -4.06 0.28 0.00 0.51 0.00 0.00 43.02 39.73 1om3 s PHE 100 CO 0.22 -1.33 1.24 -0.40 0.70 0.00 0.00 175.22 175.65 1om3 n ASP 101 N 6.27 0.62 -3.83 1.36 5.75 -0.97 -4.87 116.55 120.88 1om3 n ASP 101 Ca -0.02 -0.19 -0.13 0.00 -0.01 0.00 0.00 54.79 54.43 1om3 n ASP 101 Cb 0.44 0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 40.83 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 -3.10 -0.07 0.04 2.12 0.00 -1.25 -5.02 121.76 114.47 1om3 s ALA 102 Ca 0.07 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1om3 s ALA 102 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1om3 s ALA 102 CO 0.75 -0.04 -0.13 -1.58 0.00 0.00 0.00 175.76 174.76 1om3 s TRP 103 N 0.30 1.11 0.87 0.00 0.52 -1.26 -1.07 118.94 119.40 1om3 s TRP 103 Ca -0.02 -0.35 -0.12 0.00 0.02 0.00 0.00 56.10 55.63 1om3 s TRP 103 Cb -0.03 -0.66 0.11 0.00 -1.15 0.00 0.00 33.47 31.74 1om3 s TRP 103 CO -0.01 0.02 1.12 0.20 0.02 0.00 0.00 176.95 178.30 1om3 s GLY 104 N -1.10 1.59 0.06 0.98 0.00 -0.74 -4.52 107.32 103.59 1om3 s GLY 104 Ca 0.00 -0.41 0.21 0.00 0.00 0.00 0.00 44.72 44.52 1om3 s GLY 104 CO 0.01 0.10 1.65 -1.55 0.00 0.00 0.00 173.10 173.31 1om3 n PRO 105 N -3.64 0.05 0.00 2.90 -0.04 -1.26 -4.81 135.00 128.21 1om3 n PRO 105 Ca 0.07 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1om3 n PRO 105 Cb 0.58 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.48 2.07 3.17 0.55 0.00 -1.26 -5.03 105.19 105.17 1om3 n GLY 106 Ca 0.04 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.88 1.42 -0.19 2.61 -1.32 0.51 -4.85 115.64 111.94 1om3 s THR 107 Ca 0.00 -0.77 -0.24 0.00 -1.21 0.00 0.00 61.69 59.48 1om3 s THR 107 Cb 0.00 -1.19 -0.02 0.00 -1.51 0.00 0.00 72.50 69.79 1om3 s THR 107 CO 0.00 0.40 0.76 -0.69 -2.21 0.00 0.00 174.62 172.88 1om3 s VAL 108 N -0.38 4.93 -0.12 5.08 1.01 -1.26 -0.04 120.40 129.61 1om3 s VAL 108 Ca 0.06 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1om3 s VAL 108 Cb -0.07 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1om3 s VAL 108 CO -0.00 0.05 -0.19 -0.69 0.00 0.00 0.00 175.10 174.26 1om3 s VAL 109 N 2.12 2.50 -0.04 2.92 1.01 0.63 -1.70 120.40 127.84 1om3 s VAL 109 Ca 0.35 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1om3 s VAL 109 Cb -0.16 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1om3 s VAL 109 CO 0.11 0.54 -0.08 0.28 0.00 0.00 0.00 175.10 175.96 1om3 s THR 110 N 0.38 0.73 -0.30 3.92 -1.32 -0.51 -1.22 115.64 117.33 1om3 s THR 110 Ca -0.15 -0.27 -0.03 0.00 -1.21 0.00 0.00 61.69 60.03 1om3 s THR 110 Cb -0.17 -0.69 0.04 0.00 -1.51 0.00 0.00 72.50 70.16 1om3 s THR 110 CO 0.07 0.25 0.02 -0.69 -2.21 0.00 0.00 174.62 172.06 1om3 s VAL 111 N 0.60 3.25 0.22 5.08 1.01 -1.26 -1.55 120.40 127.75 1om3 s VAL 111 Ca -0.09 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 1om3 s VAL 111 Cb -0.13 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 1om3 s VAL 111 CO 0.01 -0.03 1.01 -0.94 0.00 0.00 0.00 175.10 175.15 1om3 s SER 112 N 1.33 7.48 0.39 3.32 1.04 -0.58 -4.53 113.70 122.14 1om3 s SER 112 Ca -0.02 2.02 0.06 0.00 0.48 0.00 0.00 55.95 58.49 1om3 s SER 112 Cb -0.19 -2.61 0.78 0.00 0.10 0.00 0.00 66.02 64.10 1om3 s SER 112 CO -0.01 -0.01 2.00 1.55 0.98 0.00 0.00 173.24 177.75 1om3 h PRO 113 N 4.44 0.52 -6.51 4.02 0.13 -1.98 -1.65 132.00 130.97 1om3 h PRO 113 Ca -0.45 -0.06 -0.55 0.00 -0.87 0.00 0.00 66.00 64.07 1om3 h PRO 113 Cb 1.21 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.16 1om3 h PRO 113 CO 0.69 0.42 1.01 0.00 -0.23 0.00 0.00 178.00 179.89 1om3 s ALA 114 N -5.29 2.91 -0.58 -0.56 0.00 -1.26 -4.63 121.76 112.35 1om3 s ALA 114 Ca -0.08 -0.99 0.25 0.00 0.00 0.00 0.00 51.96 51.14 1om3 s ALA 114 Cb 0.17 -4.11 0.92 0.00 0.00 0.00 0.00 23.12 20.09 1om3 s ALA 114 CO 0.74 -2.87 1.74 -1.13 0.00 0.00 0.00 175.76 174.24 1om3 n SER 115 N 8.78 0.74 -4.03 0.00 3.41 -1.26 -4.34 113.62 116.91 1om3 n SER 115 Ca 0.07 0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 59.20 1om3 n SER 115 Cb 0.49 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 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 -3.23 0.33 -0.27 6.66 -1.32 -1.26 -4.49 115.64 112.06 1om3 s THR 116 Ca 0.07 -1.09 -0.09 0.00 -1.21 0.00 0.00 61.69 59.37 1om3 s THR 116 Cb 0.11 -0.56 0.11 0.00 -1.51 0.00 0.00 72.50 70.65 1om3 s THR 116 CO 0.48 -0.50 0.58 -0.75 -2.21 0.00 0.00 174.62 172.22 1om3 s LYS 117 N -1.78 0.51 0.57 7.08 2.20 0.86 -4.95 119.74 124.23 1om3 s LYS 117 Ca -0.11 1.31 -0.17 0.00 -0.36 0.00 0.00 55.97 56.65 1om3 s LYS 117 Cb -0.08 0.67 -0.05 0.00 -1.51 0.00 0.00 37.83 36.86 1om3 s LYS 117 CO -0.01 -0.21 1.05 0.20 -0.36 0.00 0.00 175.35 176.02 1om3 s GLY 118 N 2.73 2.20 0.44 5.54 0.00 -1.26 -1.80 107.32 115.17 1om3 s GLY 118 Ca -0.05 0.43 -0.22 0.00 0.00 0.00 0.00 44.72 44.88 1om3 s GLY 118 CO -0.17 0.75 1.04 2.56 0.00 0.00 0.00 173.10 177.28 1om3 s PRO 119 N -3.92 3.97 -0.03 2.90 0.04 -1.26 -4.58 135.00 132.12 1om3 s PRO 119 Ca 0.64 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1om3 s PRO 119 Cb -0.16 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 1om3 s PRO 119 CO 0.34 -0.30 0.43 -1.12 0.04 0.00 0.00 177.00 176.39 1om3 s SER 120 N -1.78 6.79 -0.18 6.66 0.01 0.41 -4.91 113.70 120.70 1om3 s SER 120 Ca 0.63 0.94 0.01 0.00 1.31 0.00 0.00 55.95 58.83 1om3 s SER 120 Cb -0.19 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.81 1om3 s SER 120 CO 0.24 0.24 -0.12 -0.69 0.41 0.00 0.00 173.24 173.31 1om3 s VAL 121 N -0.62 1.63 0.10 3.43 1.01 -1.26 0.45 120.40 125.13 1om3 s VAL 121 Ca 0.24 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1om3 s VAL 121 Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1om3 s VAL 121 CO 0.13 0.28 -0.21 -0.36 0.00 0.00 0.00 175.10 174.94 1om3 s PHE 122 N 1.43 2.47 0.26 5.22 0.08 0.44 -4.96 117.98 122.93 1om3 s PHE 122 Ca 0.01 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.47 1om3 s PHE 122 Cb -0.15 -1.35 -0.09 0.00 -0.57 0.00 0.00 43.02 40.85 1om3 s PHE 122 CO -0.09 0.33 1.07 -1.25 -0.10 0.00 0.00 175.22 175.17 1om3 s PRO 123 N -1.90 4.68 -0.54 0.24 0.04 -1.26 -0.05 135.00 136.21 1om3 s PRO 123 Ca 0.16 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 1om3 s PRO 123 Cb -0.10 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 31.35 1om3 s PRO 123 CO 0.08 0.26 0.49 -0.51 0.04 0.00 0.00 177.00 177.36 1om3 s LEU 124 N -1.30 6.16 0.21 -3.56 1.43 0.14 -4.78 118.68 116.98 1om3 s LEU 124 Ca 0.44 -1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 51.42 1om3 s LEU 124 Cb -0.31 -2.19 -0.08 0.00 0.03 0.00 0.00 46.19 43.64 1om3 s LEU 124 CO 0.39 -0.84 0.97 0.00 0.23 0.00 0.00 176.35 177.10 1om3 s ALA 125 N 1.55 3.32 0.15 4.21 0.00 -1.26 -0.74 121.76 129.00 1om3 s ALA 125 Ca 0.04 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 1om3 s ALA 125 Cb -0.29 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1om3 s ALA 125 CO 0.02 0.08 1.79 -1.00 0.00 0.00 0.00 175.76 176.65 1om3 h PRO 126 N 4.55 0.60 -1.94 0.00 0.13 -1.80 -3.47 132.00 130.08 1om3 h PRO 126 Ca -0.45 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1om3 h PRO 126 Cb 1.20 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1om3 h PRO 126 CO 0.69 0.44 0.00 0.45 -0.23 0.00 0.00 178.00 179.36 1om3 n SER 127 N -4.74 0.00 0.00 1.44 2.88 -1.26 -4.85 113.62 107.09 1om3 n SER 127 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1om3 n SER 127 Cb 0.05 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 1om3 n SER 127 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1om3 n SER 128 N -1.97 0.00 0.00 -3.46 3.41 -1.26 -5.02 113.62 105.32 1om3 n SER 128 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1om3 n SER 128 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.20 0.00 0.00 4.33 5.02 -1.26 -5.04 118.16 121.01 1om3 n LYS 129 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1om3 n LYS 129 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -1.19 4.39 3.41 -1.26 -4.74 113.62 114.23 1om3 n SER 130 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1om3 n SER 130 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.00 0.00 0.00 6.66 -2.24 -1.26 -5.14 114.28 112.30 1om3 n THR 133 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1om3 n THR 133 Cb 0.00 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.23 0.00 -3.23 3.42 3.41 -1.26 -4.80 113.62 111.40 1om3 n SER 134 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1om3 n SER 134 Cb 0.90 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 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 -2.08 1.71 5.00 0.00 -1.26 -4.50 105.19 104.06 1om3 n GLY 135 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 2.70 -0.07 3.22 -0.02 0.00 -1.26 -5.02 105.19 104.73 1om3 n GLY 136 Ca 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1om3 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1om3 s THR 137 N -1.85 1.80 0.19 2.61 2.01 -1.26 -1.59 115.64 117.55 1om3 s THR 137 Ca 0.00 -0.94 0.10 0.00 0.31 0.00 0.00 61.69 61.16 1om3 s THR 137 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1om3 s THR 137 CO 0.00 0.51 -0.16 0.00 -0.69 0.00 0.00 174.62 174.28 1om3 s ALA 138 N -0.18 2.78 -0.05 7.40 0.00 0.76 -4.80 121.76 127.67 1om3 s ALA 138 Ca -0.01 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.41 1om3 s ALA 138 Cb -0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1om3 s ALA 138 CO 0.02 0.44 -0.10 0.00 0.00 0.00 0.00 175.76 176.12 1om3 s ALA 139 N -1.74 2.85 0.26 0.00 0.00 -1.26 -0.59 121.76 121.28 1om3 s ALA 139 Ca 0.24 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1om3 s ALA 139 Cb -0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1om3 s ALA 139 CO 0.13 0.57 0.36 -0.48 0.00 0.00 0.00 175.76 176.34 1om3 s LEU 140 N -0.86 0.81 0.00 0.00 0.05 -0.79 -3.83 118.68 114.06 1om3 s LEU 140 Ca 0.13 -1.24 0.00 0.00 0.05 0.00 0.00 54.13 53.06 1om3 s LEU 140 Cb -0.11 1.21 0.00 0.00 -2.05 0.00 0.00 46.19 45.24 1om3 s LEU 140 CO 0.02 -1.08 0.00 0.61 -0.55 0.00 0.00 176.35 175.34 1om3 n GLY 141 N -0.40 -1.11 2.88 -3.48 0.00 0.08 -1.30 105.19 101.86 1om3 n GLY 141 Ca 0.01 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 0.89 4.08 -0.44 0.00 2.96 0.93 -1.63 118.68 125.46 1om3 s LEU 143 Ca -0.11 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 1om3 s LEU 143 Cb -0.14 -2.36 0.12 0.00 0.50 0.00 0.00 46.19 44.31 1om3 s LEU 143 CO -0.00 -0.10 0.25 -0.69 -1.32 0.00 0.00 176.35 174.49 1om3 s VAL 144 N 1.65 3.38 -0.07 1.68 1.01 0.14 -0.42 120.40 127.78 1om3 s VAL 144 Ca 0.14 -2.20 0.02 0.00 0.00 0.00 0.00 61.98 59.95 1om3 s VAL 144 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 1om3 s VAL 144 CO 0.09 -0.72 -0.13 -0.75 0.00 0.00 0.00 175.10 173.59 1om3 s LYS 145 N 0.95 2.68 -0.43 2.72 2.20 0.17 -1.36 119.74 126.67 1om3 s LYS 145 Ca 0.10 -0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 54.98 1om3 s LYS 145 Cb -0.23 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.64 1om3 s LYS 145 CO -0.04 0.57 0.48 -0.25 -0.36 0.00 0.00 175.35 175.76 1om3 n ASP 146 N 2.47 -6.39 -4.13 1.43 8.00 -0.24 -0.44 116.55 117.24 1om3 n ASP 146 Ca -0.17 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 1om3 n ASP 146 Cb 0.52 -4.25 -0.10 0.00 -0.02 0.00 0.00 41.12 37.27 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 -2.59 0.78 -0.27 1.24 1.13 -0.88 -4.25 117.35 112.52 1om3 s TYR 147 Ca 0.10 -0.83 -0.21 0.00 -1.41 0.00 0.00 57.07 54.71 1om3 s TYR 147 Cb -0.03 -0.47 0.07 0.00 -1.10 0.00 0.00 41.96 40.44 1om3 s TYR 147 CO 0.57 -0.16 0.69 0.12 -2.51 0.00 0.00 175.55 174.26 1om3 s PHE 148 N -3.11 -0.88 0.00 -3.49 2.19 -0.75 -0.99 117.98 110.96 1om3 s PHE 148 Ca 0.06 1.97 0.00 0.00 0.33 0.00 0.00 56.93 59.28 1om3 s PHE 148 Cb 0.02 0.40 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 1om3 s PHE 148 CO -0.04 -0.43 0.00 -0.35 1.83 0.00 0.00 175.22 176.23 1om3 n PRO 149 N 3.31 0.72 -1.78 10.12 -0.04 -1.26 -0.10 135.00 145.97 1om3 n PRO 149 Ca -0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 1om3 n PRO 149 Cb 0.56 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.07 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 -1.98 2.90 0.43 0.54 2.02 -1.26 -4.73 118.70 116.62 1om3 s GLU 150 Ca 0.00 1.30 0.07 0.00 0.02 0.00 0.00 54.97 56.36 1om3 s GLU 150 Cb 0.00 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1om3 s GLU 150 CO 0.00 -1.16 0.33 -1.25 0.02 0.00 0.00 175.26 173.20 1om3 s PRO 151 N -4.21 2.42 -0.08 0.39 0.04 -1.26 -4.99 135.00 127.30 1om3 s PRO 151 Ca 0.65 -1.67 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1om3 s PRO 151 Cb -0.19 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1om3 s PRO 151 CO 0.42 -0.22 -0.07 0.08 0.04 0.00 0.00 177.00 177.25 1om3 s VAL 152 N -2.54 3.66 -0.13 -0.36 1.01 -1.26 -4.52 120.40 116.26 1om3 s VAL 152 Ca 0.45 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1om3 s VAL 152 Cb -0.01 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1om3 s VAL 152 CO 0.26 0.58 0.23 -0.89 0.00 0.00 0.00 175.10 175.28 1om3 s THR 153 N -0.59 5.35 -0.07 3.92 2.01 0.15 -4.98 115.64 121.43 1om3 s THR 153 Ca 0.09 0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.54 1om3 s THR 153 Cb -0.12 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1om3 s THR 153 CO 0.02 0.50 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.57 1om3 s VAL 154 N -0.21 1.58 0.20 3.82 1.01 -1.26 -0.83 120.40 124.71 1om3 s VAL 154 Ca 0.15 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1om3 s VAL 154 Cb -0.13 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1om3 s VAL 154 CO 0.04 0.45 0.06 -0.94 0.00 0.00 0.00 175.10 174.71 1om3 s SER 156 N 0.26 0.91 -0.05 3.32 1.04 -0.38 -4.98 113.70 113.83 1om3 s SER 156 Ca -0.11 -1.29 0.04 0.00 0.48 0.00 0.00 55.95 55.08 1om3 s SER 156 Cb -0.15 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 1om3 s SER 156 CO 0.05 -0.69 -0.19 0.26 0.98 0.00 0.00 173.24 173.65 1om3 s TRP 157 N -3.82 1.89 -1.49 5.02 0.52 -1.26 0.80 118.94 120.59 1om3 s TRP 157 Ca 0.31 -0.58 -0.04 0.00 0.02 0.00 0.00 56.10 55.81 1om3 s TRP 157 Cb 0.07 -1.27 0.04 0.00 -1.15 0.00 0.00 33.47 31.16 1om3 s TRP 157 CO 0.08 -0.20 0.46 0.09 0.02 0.00 0.00 176.95 177.40 1om3 n ASN 162 N 3.19 -0.89 -3.35 2.95 3.02 0.24 -1.87 115.26 118.56 1om3 n ASN 162 Ca -0.18 -1.04 -0.24 0.00 -0.03 0.00 0.00 54.58 53.09 1om3 n ASN 162 Cb 0.53 -2.83 0.02 0.00 -0.61 0.00 0.00 39.78 36.89 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 -2.90 -5.09 0.00 6.41 7.64 -1.26 -1.27 113.62 117.14 1om3 n SER 163 Ca -0.22 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1om3 n SER 163 Cb 0.64 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 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 -1.48 0.96 0.14 0.23 0.00 -0.78 -4.94 105.19 99.32 1om3 n GLY 164 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.81 -3.13 4.61 0.00 -1.09 -3.42 119.26 117.04 1om3 h ALA 165 Ca 0.00 -0.56 -0.68 0.00 0.00 0.00 0.00 54.91 53.67 1om3 h ALA 165 Cb 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 17.41 1om3 h ALA 165 CO 0.00 0.77 -0.67 -1.17 0.00 0.00 0.00 179.25 178.18 1om3 s LEU 166 N -7.12 3.65 0.00 0.00 2.96 -1.10 -4.90 118.68 112.17 1om3 s LEU 166 Ca 0.00 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 1om3 s LEU 166 Cb 0.11 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1om3 s LEU 166 CO 0.75 -0.18 0.00 0.35 -1.32 0.00 0.00 176.35 175.95 1om3 n THR 167 N 4.78 0.00 -1.90 3.68 -2.24 -1.26 -4.20 114.28 113.14 1om3 n THR 167 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1om3 n THR 167 Cb 0.47 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.61 6.58 -0.08 3.42 0.01 -1.26 -2.57 113.70 118.19 1om3 s SER 168 Ca 0.00 2.49 0.00 0.00 1.31 0.00 0.00 55.95 59.75 1om3 s SER 168 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1om3 s SER 168 CO 0.00 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.34 1om3 n GLY 169 N 4.08 0.48 3.73 3.44 0.00 -1.26 -4.75 105.19 110.90 1om3 n GLY 169 Ca 0.16 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.93 5.07 -0.11 1.61 1.01 -1.06 -3.04 120.40 121.94 1om3 s VAL 171 Ca 0.00 1.24 0.01 0.00 0.00 0.00 0.00 61.98 63.23 1om3 s VAL 171 Cb 0.00 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1om3 s VAL 171 CO 0.00 0.31 -0.14 -1.00 0.00 0.00 0.00 175.10 174.27 1om3 s HIS 172 N 0.53 1.92 -0.26 5.22 3.76 0.48 -5.00 115.29 121.95 1om3 s HIS 172 Ca 0.32 -0.92 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1om3 s HIS 172 Cb -0.17 -1.40 0.02 0.00 1.11 0.00 0.00 32.58 32.14 1om3 s HIS 172 CO 0.15 -0.49 -0.04 0.99 -0.85 0.00 0.00 174.74 174.51 1om3 s THR 173 N 1.07 3.06 0.57 1.30 2.01 -1.26 -0.05 115.64 122.33 1om3 s THR 173 Ca -0.05 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 60.82 1om3 s THR 173 Cb -0.15 -2.56 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1om3 s THR 173 CO -0.03 0.17 1.02 -0.36 -0.69 0.00 0.00 174.62 174.74 1om3 s PHE 174 N 1.35 3.24 0.51 4.92 0.40 -0.42 -5.00 117.98 122.97 1om3 s PHE 174 Ca 0.00 1.47 -0.23 0.00 -0.60 0.00 0.00 56.93 57.58 1om3 s PHE 174 Cb -0.17 -2.89 -0.06 0.00 0.51 0.00 0.00 43.02 40.41 1om3 s PHE 174 CO -0.03 -0.77 1.39 -2.14 0.70 0.00 0.00 175.22 174.37 1om3 s PRO 175 N -4.19 3.33 0.49 0.24 0.02 -1.26 -4.64 135.00 128.99 1om3 s PRO 175 Ca 0.61 2.32 -0.23 0.00 0.02 0.00 0.00 61.00 63.72 1om3 s PRO 175 Cb -0.13 -2.41 -0.07 0.00 0.02 0.00 0.00 34.50 31.92 1om3 s PRO 175 CO 0.36 -1.06 1.26 0.00 -0.33 0.00 0.00 177.00 177.23 1om3 s ALA 176 N -1.26 2.95 -0.02 -1.55 0.00 -1.26 -4.82 121.76 115.80 1om3 s ALA 176 Ca 0.68 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.79 1om3 s ALA 176 Cb -0.42 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 1om3 s ALA 176 CO 0.52 -0.96 -0.08 0.08 0.00 0.00 0.00 175.76 175.31 1om3 s VAL 177 N -1.41 3.57 -0.34 0.00 1.01 0.48 -4.94 120.40 118.77 1om3 s VAL 177 Ca 0.66 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1om3 s VAL 177 Cb -0.34 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1om3 s VAL 177 CO 0.42 0.46 0.65 -0.22 0.00 0.00 0.00 175.10 176.41 1om3 s LEU 178 N -1.19 4.21 0.65 3.92 2.96 -1.26 -1.37 118.68 126.59 1om3 s LEU 178 Ca 0.15 0.26 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 1om3 s LEU 178 Cb -0.11 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1om3 s LEU 178 CO 0.05 -0.57 1.04 -1.10 -1.32 0.00 0.00 176.35 174.45 1om3 s GLN 179 N 2.71 3.20 0.53 1.98 -0.21 -0.04 -4.96 119.66 122.87 1om3 s GLN 179 Ca 0.25 0.53 0.36 0.00 0.02 0.00 0.00 55.36 56.52 1om3 s GLN 179 Cb -0.14 -2.08 1.83 0.00 1.00 0.00 0.00 33.01 33.61 1om3 s GLN 179 CO 0.14 -0.78 2.08 0.66 -2.12 0.00 0.00 175.29 175.27 1om3 h SER 180 N -0.44 0.00 0.72 5.90 4.64 -1.98 -0.66 113.55 121.73 1om3 h SER 180 Ca -0.45 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1om3 h SER 180 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1om3 h SER 180 CO 0.63 0.00 -0.17 0.77 -0.87 0.00 0.00 176.83 177.19 1om3 h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.46 113.55 117.67 1om3 h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1om3 h SER 182 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1om3 h SER 182 CO 0.00 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1om3 n GLY 183 N -0.17 0.78 3.61 -0.77 0.00 -0.26 -5.09 105.19 103.30 1om3 n GLY 183 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.18 0.35 0.99 1.02 -1.25 -4.91 118.68 118.06 1om3 s LEU 184 Ca 0.00 -0.32 -0.06 0.00 0.02 0.00 0.00 54.13 53.78 1om3 s LEU 184 Cb 0.00 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.21 1om3 s LEU 184 CO 0.00 0.18 0.64 -0.31 0.02 0.00 0.00 176.35 176.88 1om3 s TYR 185 N -1.25 3.49 -0.04 0.29 2.02 -0.16 -0.86 117.35 120.85 1om3 s TYR 185 Ca 0.23 0.73 -0.10 0.00 -0.37 0.00 0.00 57.07 57.56 1om3 s TYR 185 Cb -0.11 -2.19 0.02 0.00 -0.40 0.00 0.00 41.96 39.27 1om3 s TYR 185 CO 0.15 0.03 0.22 0.45 -1.57 0.00 0.00 175.55 174.83 1om3 s SER 186 N -3.42 -0.14 0.16 2.29 0.15 -0.47 -1.08 113.70 111.19 1om3 s SER 186 Ca 0.46 0.15 -0.08 0.00 0.70 0.00 0.00 55.95 57.17 1om3 s SER 186 Cb -0.10 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1om3 s SER 186 CO 0.33 -0.28 0.26 -1.48 1.20 0.00 0.00 173.24 173.28 1om3 s LEU 187 N -0.77 1.04 0.06 3.45 0.05 -0.47 -0.39 118.68 121.66 1om3 s LEU 187 Ca -0.09 -0.87 0.09 0.00 0.05 0.00 0.00 54.13 53.32 1om3 s LEU 187 Cb -0.05 1.13 -0.03 0.00 -2.05 0.00 0.00 46.19 45.19 1om3 s LEU 187 CO 0.02 -0.87 -0.25 -0.44 -0.55 0.00 0.00 176.35 174.25 1om3 s SER 188 N -2.96 3.05 -0.13 1.48 0.01 -1.26 -0.68 113.70 113.20 1om3 s SER 188 Ca 0.16 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.81 1om3 s SER 188 Cb 0.04 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 1om3 s SER 188 CO -0.01 0.22 -0.15 -0.55 0.41 0.00 0.00 173.24 173.16 1om3 s SER 189 N -1.42 3.80 0.28 2.44 0.15 -0.64 -1.31 113.70 117.00 1om3 s SER 189 Ca 0.11 -0.39 0.08 0.00 0.70 0.00 0.00 55.95 56.45 1om3 s SER 189 Cb -0.10 -1.57 -0.06 0.00 -1.71 0.00 0.00 66.02 62.58 1om3 s SER 189 CO 0.03 0.15 -0.08 0.68 1.20 0.00 0.00 173.24 175.21 1om3 s VAL 190 N 0.45 1.81 -0.15 4.45 -7.23 0.93 -1.10 120.40 119.56 1om3 s VAL 190 Ca -0.11 -2.17 -0.13 0.00 -1.81 0.00 0.00 61.98 57.76 1om3 s VAL 190 Cb -0.16 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.39 1om3 s VAL 190 CO 0.05 -0.32 0.40 0.54 -0.31 0.00 0.00 175.10 175.46 1om3 s VAL 191 N -2.91 -0.01 -0.15 1.32 0.11 -0.42 -0.38 120.40 117.97 1om3 s VAL 191 Ca 0.29 0.02 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 1om3 s VAL 191 Cb 0.02 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1om3 s VAL 191 CO 0.12 0.01 0.23 0.42 -3.33 0.00 0.00 175.10 172.55 1om3 s THR 192 N 0.43 5.35 0.14 5.04 -4.23 -1.17 -1.88 115.64 119.32 1om3 s THR 192 Ca -0.02 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1om3 s THR 192 Cb -0.04 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 1om3 s THR 192 CO -0.02 0.47 -0.04 0.68 -0.54 0.00 0.00 174.62 175.17 1om3 s VAL 193 N -0.02 0.79 0.28 2.29 -7.23 0.25 -4.80 120.40 111.96 1om3 s VAL 193 Ca 0.15 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 1om3 s VAL 193 Cb -0.13 -1.92 -0.11 0.00 0.56 0.00 0.00 36.38 34.78 1om3 s VAL 193 CO 0.03 -0.66 1.54 -2.84 -0.31 0.00 0.00 175.10 172.86 1om3 s PRO 194 N -3.85 4.17 0.37 4.82 0.02 -1.26 -0.17 135.00 139.10 1om3 s PRO 194 Ca 0.18 2.49 0.07 0.00 0.02 0.00 0.00 61.00 63.76 1om3 s PRO 194 Cb 0.05 -3.05 0.79 0.00 0.02 0.00 0.00 34.50 32.31 1om3 s PRO 194 CO 0.00 -0.56 1.97 0.77 -0.33 0.00 0.00 177.00 178.84 1om3 h SER 195 N 4.91 0.61 0.96 2.53 0.02 -1.56 -2.24 113.55 118.78 1om3 h SER 195 Ca -0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1om3 h SER 195 Cb 1.22 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1om3 h SER 195 CO 0.79 0.39 -0.10 0.77 -1.14 0.00 0.00 176.83 177.54 1om3 h SER 196 N 0.69 0.00 0.55 3.07 4.64 -1.83 -3.08 113.55 117.59 1om3 h SER 196 Ca 0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 1om3 h SER 196 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1om3 h SER 196 CO -0.10 0.10 -0.15 0.77 -0.87 0.00 0.00 176.83 176.58 1om3 h SER 197 N 0.00 0.00 -0.02 4.97 4.64 -1.79 -3.25 113.55 118.10 1om3 h SER 197 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1om3 h SER 197 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1om3 h SER 197 CO 0.01 0.15 0.05 -0.07 -0.87 0.00 0.00 176.83 176.10 1om3 h LEU 198 N 0.00 0.00 0.02 5.97 3.38 -1.67 0.35 115.31 123.36 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 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1om3 h LEU 198 CO 0.02 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.77 1om3 h GLY 199 N 0.00 -0.03 1.05 0.83 0.00 -1.82 -3.42 103.07 99.68 1om3 h GLY 199 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1om3 h GLY 199 CO -0.00 -0.01 0.08 -0.91 0.00 0.00 0.00 176.54 175.70 1om3 h THR 200 N -0.07 1.26 -3.16 4.70 1.35 -1.53 -3.45 112.91 112.02 1om3 h THR 200 Ca -0.00 -1.04 -0.60 0.00 -0.55 0.00 0.00 66.41 64.22 1om3 h THR 200 Cb 0.02 0.74 -0.09 0.00 -1.73 0.00 0.00 68.15 67.10 1om3 h THR 200 CO 0.00 0.38 -0.30 -1.10 -0.25 0.00 0.00 175.52 174.25 1om3 s GLN 203 N -5.16 4.09 0.03 4.72 -1.52 0.12 -5.08 119.66 116.86 1om3 s GLN 203 Ca -0.12 0.16 -0.16 0.00 -1.95 0.00 0.00 55.36 53.29 1om3 s GLN 203 Cb 0.13 -3.35 -0.06 0.00 -0.22 0.00 0.00 33.01 29.51 1om3 s GLN 203 CO 0.84 0.40 0.47 0.95 -0.25 0.00 0.00 175.29 177.70 1om3 s THR 205 N -0.04 4.91 -0.15 -0.19 -4.23 -1.26 -4.73 115.64 109.96 1om3 s THR 205 Ca 0.19 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.67 1om3 s THR 205 Cb -0.14 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.94 1om3 s THR 205 CO 0.06 0.55 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.24 1om3 s TYR 206 N -1.11 2.24 -0.09 3.99 2.02 -1.26 -4.97 117.35 118.17 1om3 s TYR 206 Ca 0.26 -1.27 0.01 0.00 -0.37 0.00 0.00 57.07 55.70 1om3 s TYR 206 Cb -0.18 -1.63 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1om3 s TYR 206 CO 0.16 -0.69 -0.12 0.42 -1.57 0.00 0.00 175.55 173.76 1om3 s ILE 207 N 1.46 1.19 -0.13 2.71 1.09 -1.26 -0.20 121.20 126.06 1om3 s ILE 207 Ca 0.05 -0.46 -0.16 0.00 -1.10 0.00 0.00 60.65 58.98 1om3 s ILE 207 Cb -0.13 -1.12 -0.05 0.00 -1.06 0.00 0.00 42.46 40.11 1om3 s ILE 207 CO -0.11 0.38 0.38 0.00 -0.10 0.00 0.00 174.94 175.49 1om3 s ASN 209 N 0.39 6.06 -0.20 0.00 -0.87 0.24 -1.62 114.94 118.94 1om3 s ASN 209 Ca 0.21 -1.10 -0.07 0.00 -1.57 0.00 0.00 52.86 50.33 1om3 s ASN 209 Cb -0.14 -2.14 -0.04 0.00 -0.02 0.00 0.00 41.25 38.91 1om3 s ASN 209 CO 0.07 -0.52 0.06 -0.69 -2.57 0.00 0.00 177.10 173.45 1om3 s VAL 210 N 1.64 4.60 -0.07 1.60 1.01 0.61 -1.25 120.40 128.54 1om3 s VAL 210 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1om3 s VAL 210 Cb -0.21 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.08 1om3 s VAL 210 CO 0.08 0.43 -0.16 0.21 0.00 0.00 0.00 175.10 175.65 1om3 s ASN 211 N 0.70 2.21 -0.44 3.32 2.47 -0.01 -0.98 114.94 122.21 1om3 s ASN 211 Ca 0.03 -0.38 0.02 0.00 0.42 0.00 0.00 52.86 52.95 1om3 s ASN 211 Cb -0.13 -0.94 0.13 0.00 -1.45 0.00 0.00 41.25 38.86 1om3 s ASN 211 CO 0.02 0.09 0.23 -2.28 -3.72 0.00 0.00 177.10 171.44 1om3 s HIS 212 N 0.45 2.10 0.34 0.43 5.65 -0.25 -0.67 115.29 123.34 1om3 s HIS 212 Ca -0.14 -2.46 0.03 0.00 0.25 0.00 0.00 55.06 52.75 1om3 s HIS 212 Cb -0.16 -1.98 0.65 0.00 -1.18 0.00 0.00 32.58 29.91 1om3 s HIS 212 CO 0.05 -0.79 1.97 0.87 -0.65 0.00 0.00 174.74 176.19 1om3 h LYS 213 N 6.81 0.84 0.00 2.88 1.57 -1.81 -1.52 116.57 125.35 1om3 h LYS 213 Ca -0.03 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1om3 h LYS 213 Cb 0.93 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1om3 h LYS 213 CO 0.50 0.55 -0.11 -1.35 -0.57 0.00 0.00 179.45 178.47 1om3 h PRO 214 N 0.86 0.00 -0.19 3.15 0.11 -1.93 -2.54 132.00 131.46 1om3 h PRO 214 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1om3 h PRO 214 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1om3 h PRO 214 CO -0.09 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 176.69 1om3 n SER 215 N -4.09 2.82 -4.30 -2.05 3.41 -1.08 -4.96 113.62 103.37 1om3 n SER 215 Ca -0.02 -2.37 -0.32 0.00 -0.26 0.00 0.00 58.87 55.89 1om3 n SER 215 Cb 0.19 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 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 -0.24 0.60 -4.65 4.04 3.02 -0.76 -4.91 115.26 112.36 1om3 n ASN 216 Ca 0.11 -1.28 -0.35 0.00 -0.03 0.00 0.00 54.58 53.04 1om3 n ASN 216 Cb 0.51 -1.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.00 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 -4.32 4.45 -0.07 3.41 2.01 -0.64 -5.00 115.64 115.48 1om3 s THR 217 Ca 0.04 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.89 1om3 s THR 217 Cb -0.02 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.57 1om3 s THR 217 CO 0.99 0.54 -0.15 -0.54 -0.69 0.00 0.00 174.62 174.78 1om3 s LYS 218 N -0.28 1.91 -0.07 4.92 1.02 -1.26 -1.09 119.74 124.90 1om3 s LYS 218 Ca 0.07 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1om3 s LYS 218 Cb -0.12 -1.56 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 1om3 s LYS 218 CO 0.02 0.08 -0.05 0.08 -0.92 0.00 0.00 175.35 174.56 1om3 s VAL 219 N 0.52 0.67 -0.19 3.17 1.01 -0.15 -5.01 120.40 120.43 1om3 s VAL 219 Ca -0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1om3 s VAL 219 Cb -0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 1om3 s VAL 219 CO 0.04 0.28 0.02 -1.81 0.00 0.00 0.00 175.10 173.63 1om3 s ASP 220 N 1.26 5.11 -0.12 3.32 -0.00 -1.26 -0.29 116.67 124.69 1om3 s ASP 220 Ca -0.05 -0.09 -0.00 0.00 -0.00 0.00 0.00 52.55 52.41 1om3 s ASP 220 Cb -0.14 -1.87 0.02 0.00 -0.00 0.00 0.00 42.92 40.94 1om3 s ASP 220 CO -0.02 0.12 -0.10 -0.75 -0.00 0.00 0.00 175.17 174.42 1om3 s LYS 221 N 0.69 1.81 0.04 8.23 2.47 -0.64 -4.97 119.74 127.38 1om3 s LYS 221 Ca 0.01 -0.37 -0.30 0.00 -1.56 0.00 0.00 55.97 53.75 1om3 s LYS 221 Cb -0.14 -1.77 -0.04 0.00 -1.46 0.00 0.00 37.83 34.42 1om3 s LYS 221 CO 0.02 -0.25 1.03 0.21 0.16 0.00 0.00 175.35 176.52 1om3 s LYS 222 N 1.60 4.56 -0.32 4.03 2.20 -1.26 -1.42 119.74 129.12 1om3 s LYS 222 Ca 0.05 1.52 -0.04 0.00 -0.36 0.00 0.00 55.97 57.14 1om3 s LYS 222 Cb -0.13 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.83 1om3 s LYS 222 CO -0.09 -0.05 0.06 0.08 -0.36 0.00 0.00 175.35 175.00 1om3 s VAL 225 N 0.78 3.39 0.22 4.02 1.01 0.71 -4.91 120.40 125.63 1om3 s VAL 225 Ca 0.53 -1.29 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1om3 s VAL 225 Cb -0.24 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1om3 s VAL 225 CO 0.29 -0.17 -0.12 -1.61 0.00 0.00 0.00 175.10 173.49 1om3 s GLU 226 N 1.32 1.94 0.48 2.72 2.02 -1.26 -4.36 118.70 121.56 1om3 s GLU 226 Ca -0.03 -1.43 -0.24 0.00 0.02 0.00 0.00 54.97 53.29 1om3 s GLU 226 Cb -0.20 -2.03 -0.07 0.00 0.10 0.00 0.00 34.13 31.92 1om3 s GLU 226 CO 0.01 0.40 1.40 -0.35 0.02 0.00 0.00 175.26 176.73 1om3 n PRO 227 N -0.21 2.05 -3.29 0.39 -0.04 -1.26 -4.53 135.00 128.11 1om3 n PRO 227 Ca -0.09 0.74 -0.38 0.00 -0.04 0.00 0.00 63.50 63.72 1om3 n PRO 227 Cb 0.57 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.38 1om3 n PRO 227 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1om3 s LYS 228 N -2.57 4.29 0.00 0.54 2.20 -1.26 -4.97 119.74 117.97 1om3 s LYS 228 Ca 0.64 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 1om3 s LYS 228 Cb -0.44 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1om3 s LYS 228 CO 0.55 0.28 0.00 0.45 -0.36 0.00 0.00 175.35 176.27