#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2x s TYR 3 N 0.00 2.85 0.09 -1.42 1.51 -0.59 -4.79 117.35 114.99 1y2x s TYR 3 Ca 0.00 -0.06 0.09 0.00 -1.01 0.00 0.00 57.07 56.08 1y2x s TYR 3 Cb 0.00 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1y2x s TYR 3 CO 0.00 0.35 -0.23 0.95 -1.11 0.00 0.00 175.55 175.51 1y2x s THR 4 N -0.96 1.90 -0.20 -0.71 -4.23 -0.05 -0.89 115.64 110.50 1y2x s THR 4 Ca 0.16 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.18 1y2x s THR 4 Cb -0.11 -1.68 0.05 0.00 1.34 0.00 0.00 72.50 72.10 1y2x s THR 4 CO 0.06 0.10 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.54 1y2x s ILE 5 N -1.00 1.48 -0.21 2.99 1.01 0.62 -0.02 121.20 126.09 1y2x s ILE 5 Ca 0.09 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 1y2x s ILE 5 Cb -0.10 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1y2x s ILE 5 CO 0.04 0.10 0.15 -0.44 0.00 0.00 0.00 174.94 174.79 1y2x s SER 6 N 1.45 6.21 -0.14 3.58 0.01 0.23 -0.65 113.70 124.38 1y2x s SER 6 Ca -0.02 0.23 0.02 0.00 1.31 0.00 0.00 55.95 57.49 1y2x s SER 6 Cb -0.17 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1y2x s SER 6 CO -0.08 0.14 -0.19 -0.63 0.41 0.00 0.00 173.24 172.89 1y2x s ILE 7 N 0.55 1.89 -0.22 1.44 1.01 0.16 -0.78 121.20 125.25 1y2x s ILE 7 Ca 0.09 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 1y2x s ILE 7 Cb -0.12 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1y2x s ILE 7 CO 0.00 0.52 0.16 -0.13 0.00 0.00 0.00 174.94 175.49 1y2x s ARG 8 N 1.04 4.12 -0.22 2.79 0.52 -0.53 -1.65 118.95 125.01 1y2x s ARG 8 Ca -0.03 -0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 54.83 1y2x s ARG 8 Cb -0.14 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1y2x s ARG 8 CO -0.05 0.14 0.25 0.08 0.02 0.00 0.00 175.30 175.74 1y2x s VAL 9 N 0.81 5.30 -0.12 3.52 1.01 -1.26 0.06 120.40 129.72 1y2x s VAL 9 Ca 0.08 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1y2x s VAL 9 Cb -0.13 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 1y2x s VAL 9 CO 0.02 0.31 -0.16 -0.31 0.00 0.00 0.00 175.10 174.96 1y2x s TYR 10 N 1.13 2.73 -0.25 5.22 1.51 0.10 -4.96 117.35 122.83 1y2x s TYR 10 Ca 0.12 -0.75 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1y2x s TYR 10 Cb -0.14 -1.80 0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1y2x s TYR 10 CO 0.06 -0.26 -0.09 -1.14 -1.11 0.00 0.00 175.55 173.01 1y2x s GLN 11 N 0.32 2.59 0.13 -0.62 0.74 -1.26 0.09 119.66 121.66 1y2x s GLN 11 Ca -0.13 -1.13 0.23 0.00 0.05 0.00 0.00 55.36 54.38 1y2x s GLN 11 Cb -0.16 -2.93 0.09 0.00 1.10 0.00 0.00 33.01 31.11 1y2x s GLN 11 CO 0.07 -0.47 1.09 0.25 -0.55 0.00 0.00 175.29 175.68 1y2x n THR 12 N 4.58 0.41 -4.09 -0.34 -2.24 -0.47 -4.87 114.28 107.26 1y2x n THR 12 Ca -0.16 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.06 1y2x n THR 12 Cb 0.45 -0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.39 1y2x n THR 12 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1y2x s THR 13 N -3.28 0.34 0.00 4.28 -4.23 -1.26 -5.03 115.64 106.46 1y2x s THR 13 Ca 0.02 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1y2x s THR 13 Cb 0.12 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.64 1y2x s THR 13 CO 0.78 0.12 0.79 -0.81 -0.54 0.00 0.00 174.62 174.95 1y2x n PRO 14 N 3.25 0.77 -3.69 3.99 -0.04 -1.26 -4.67 135.00 133.35 1y2x n PRO 14 Ca -0.16 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 1y2x n PRO 14 Cb 0.56 -1.12 -0.11 0.00 -0.04 0.00 0.00 33.50 32.80 1y2x n PRO 14 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1y2x s LYS 15 N 0.24 2.58 0.00 0.54 1.02 -1.26 -4.94 119.74 117.92 1y2x s LYS 15 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1y2x s LYS 15 Cb 0.00 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 1y2x s LYS 15 CO 0.00 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.03 1y2x n GLY 16 N 4.85 -1.25 3.23 -3.33 0.00 -1.26 -5.01 105.19 102.41 1y2x n GLY 16 Ca -0.11 -1.60 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 1y2x n GLY 16 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y2x s PHE 17 N -1.59 -1.02 -0.21 1.61 5.36 -1.26 -5.04 117.98 115.84 1y2x s PHE 17 Ca 0.00 1.52 -0.18 0.00 -0.96 0.00 0.00 56.93 57.31 1y2x s PHE 17 Cb 0.00 0.36 -0.03 0.00 -0.34 0.00 0.00 43.02 43.00 1y2x s PHE 17 CO 0.00 -0.63 0.48 -0.06 -1.46 0.00 0.00 175.22 173.55 1y2x s PHE 18 N 2.68 3.36 0.12 10.12 0.40 -1.26 -4.03 117.98 129.38 1y2x s PHE 18 Ca 0.05 0.71 0.07 0.00 -0.60 0.00 0.00 56.93 57.15 1y2x s PHE 18 Cb -0.13 -2.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 1y2x s PHE 18 CO -0.16 -0.09 -0.07 -0.98 0.70 0.00 0.00 175.22 174.62 1y2x s ARG 19 N 1.60 2.23 0.17 0.44 1.70 0.05 -4.85 118.95 120.29 1y2x s ARG 19 Ca 0.22 -1.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.15 1y2x s ARG 19 Cb -0.15 -2.34 -0.08 0.00 -0.57 0.00 0.00 34.95 31.81 1y2x s ARG 19 CO 0.09 0.50 1.23 -1.25 -1.08 0.00 0.00 175.30 174.79 1y2x s PRO 20 N -2.41 4.46 0.00 3.89 0.04 -1.26 -1.24 135.00 138.48 1y2x s PRO 20 Ca 0.23 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1y2x s PRO 20 Cb -0.11 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1y2x s PRO 20 CO 0.15 -0.16 0.00 1.33 0.04 0.00 0.00 177.00 178.37 1y2x n VAL 21 N 2.76 0.00 -3.62 -0.36 0.24 -0.54 -4.94 118.33 111.87 1y2x n VAL 21 Ca 0.06 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.34 62.06 1y2x n VAL 21 Cb 0.44 0.95 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 1y2x n VAL 21 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1y2x s GLU 22 N -0.44 0.58 -0.11 7.34 2.12 -1.23 -4.98 118.70 121.97 1y2x s GLU 22 Ca 0.00 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 55.81 1y2x s GLU 22 Cb 0.00 0.28 0.05 0.00 0.26 0.00 0.00 34.13 34.72 1y2x s GLU 22 CO 0.00 -0.10 0.23 -0.98 -0.54 0.00 0.00 175.26 173.86 1y2x s ARG 23 N -0.10 0.14 0.27 4.30 1.70 -1.26 -1.44 118.95 122.56 1y2x s ARG 23 Ca 0.01 0.60 0.10 0.00 -0.47 0.00 0.00 55.73 55.97 1y2x s ARG 23 Cb -0.04 -0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.17 1y2x s ARG 23 CO -0.03 -0.23 -0.16 0.95 -1.08 0.00 0.00 175.30 174.74 1y2x s THR 24 N 1.86 2.22 -0.09 4.99 -4.23 -0.28 -4.97 115.64 115.13 1y2x s THR 24 Ca -0.03 -2.32 0.00 0.00 -1.18 0.00 0.00 61.69 58.16 1y2x s THR 24 Cb -0.11 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1y2x s THR 24 CO -0.08 -0.41 -0.07 0.20 -0.54 0.00 0.00 174.62 173.72 1y2x s ASN 25 N -3.47 1.94 0.63 3.99 0.01 -1.26 -2.17 114.94 114.61 1y2x s ASN 25 Ca 0.29 -0.26 -0.15 0.00 -0.71 0.00 0.00 52.86 52.02 1y2x s ASN 25 Cb -0.02 -0.76 -0.02 0.00 0.41 0.00 0.00 41.25 40.86 1y2x s ASN 25 CO 0.13 -0.09 1.08 0.86 -1.51 0.00 0.00 177.10 177.57 1y2x s TRP 26 N 1.48 2.83 -0.59 2.20 -0.00 -0.37 -4.89 118.94 119.60 1y2x s TRP 26 Ca 0.00 1.52 0.24 0.00 -0.00 0.00 0.00 56.10 57.87 1y2x s TRP 26 Cb -0.13 -3.07 0.42 0.00 -0.00 0.00 0.00 33.47 30.68 1y2x s TRP 26 CO -0.05 -1.38 1.43 1.57 -0.00 0.00 0.00 176.95 178.52 1y2x h LYS 27 N 0.17 0.00 -7.29 5.86 2.10 -1.94 -3.38 116.57 112.10 1y2x h LYS 27 Ca -0.47 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 57.70 1y2x h LYS 27 Cb 1.23 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.73 1y2x h LYS 27 CO 0.56 0.00 0.20 0.71 -2.00 0.00 0.00 179.45 178.92 1y2x s TYR 28 N -3.18 2.02 -1.67 0.07 4.12 -1.26 -2.83 117.35 114.62 1y2x s TYR 28 Ca 0.07 1.34 -0.18 0.00 0.02 0.00 0.00 57.07 58.32 1y2x s TYR 28 Cb 0.12 -3.18 0.15 0.00 -1.52 0.00 0.00 41.96 37.53 1y2x s TYR 28 CO 0.69 -2.73 0.82 0.00 0.02 0.00 0.00 175.55 174.35 1y2x n ALA 29 N -4.13 -1.24 -1.55 3.71 0.00 -1.26 -0.56 120.51 115.48 1y2x n ALA 29 Ca 0.07 0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 1y2x n ALA 29 Cb 0.54 -3.66 -0.03 0.00 0.00 0.00 0.00 19.45 16.30 1y2x n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y2x n ASN 30 N -2.66 -4.05 0.00 0.00 3.02 -1.25 -3.81 115.26 106.50 1y2x n ASN 30 Ca 0.08 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1y2x n ASN 30 Cb 0.49 -2.70 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 1y2x n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y2x n GLY 31 N -1.51 -0.24 3.66 7.41 0.00 0.27 -4.79 105.19 110.00 1y2x n GLY 31 Ca -0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 1y2x n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y2x n GLY 32 N 0.00 0.49 3.11 -0.02 0.00 -1.26 -3.56 105.19 103.95 1y2x n GLY 32 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 1y2x n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y2x s THR 33 N -2.07 0.53 -0.09 2.61 -4.23 0.13 -4.89 115.64 107.63 1y2x s THR 33 Ca 0.24 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 1y2x s THR 33 Cb -0.02 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.58 1y2x s THR 33 CO 0.03 -0.71 -0.04 0.26 -0.54 0.00 0.00 174.62 173.62 1y2x s TRP 34 N -2.80 3.03 0.03 3.99 0.52 -1.26 -1.12 118.94 121.33 1y2x s TRP 34 Ca 0.02 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.18 1y2x s TRP 34 Cb -0.00 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 1y2x s TRP 34 CO -0.04 0.30 -0.09 -0.51 0.02 0.00 0.00 176.95 176.63 1y2x s ASP 35 N -0.58 1.04 -0.27 2.95 1.01 -0.05 -4.98 116.67 115.79 1y2x s ASP 35 Ca 0.09 -0.44 -0.18 0.00 0.71 0.00 0.00 52.55 52.74 1y2x s ASP 35 Cb -0.12 -0.02 -0.03 0.00 1.01 0.00 0.00 42.92 43.76 1y2x s ASP 35 CO 0.02 -0.09 0.50 -1.61 0.21 0.00 0.00 175.17 174.20 1y2x s GLU 36 N -1.20 4.03 -0.22 8.23 2.02 -1.26 -0.54 118.70 129.77 1y2x s GLU 36 Ca -0.04 0.25 -0.03 0.00 0.02 0.00 0.00 54.97 55.17 1y2x s GLU 36 Cb -0.08 -3.66 0.07 0.00 0.10 0.00 0.00 34.13 30.55 1y2x s GLU 36 CO 0.01 -0.36 0.05 0.08 0.02 0.00 0.00 175.26 175.05 1y2x s VAL 37 N 2.29 0.56 -1.46 2.63 1.01 -0.50 -4.86 120.40 120.07 1y2x s VAL 37 Ca 0.20 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1y2x s VAL 37 Cb -0.16 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.13 1y2x s VAL 37 CO 0.10 -0.30 0.90 0.54 0.00 0.00 0.00 175.10 176.34 1y2x n ARG 38 N 5.03 -5.94 -0.93 2.72 1.74 -1.26 -1.77 116.66 116.24 1y2x n ARG 38 Ca -0.08 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1y2x n ARG 38 Cb 0.46 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 26.24 1y2x n ARG 38 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y2x n GLY 39 N -1.70 0.46 3.35 -0.13 0.00 -1.26 -5.04 105.19 100.87 1y2x n GLY 39 Ca -0.01 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1y2x n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y2x s GLU 40 N -1.19 1.32 -0.22 1.61 2.02 -0.73 -4.81 118.70 116.70 1y2x s GLU 40 Ca 0.00 -1.40 -0.16 0.00 0.02 0.00 0.00 54.97 53.43 1y2x s GLU 40 Cb 0.00 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 1y2x s GLU 40 CO 0.00 0.32 0.40 0.71 0.02 0.00 0.00 175.26 176.71 1y2x s TYR 41 N -1.80 3.35 -0.27 1.61 1.51 -0.66 -1.42 117.35 119.68 1y2x s TYR 41 Ca 0.16 0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 56.80 1y2x s TYR 41 Cb -0.07 -2.55 0.04 0.00 -0.11 0.00 0.00 41.96 39.27 1y2x s TYR 41 CO 0.07 -0.06 -0.05 0.08 -1.11 0.00 0.00 175.55 174.48 1y2x s VAL 42 N 1.50 2.80 -0.24 0.71 1.01 0.30 0.39 120.40 126.86 1y2x s VAL 42 Ca 0.19 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 1y2x s VAL 42 Cb -0.15 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1y2x s VAL 42 CO 0.08 0.04 0.50 -0.22 0.00 0.00 0.00 175.10 175.50 1y2x s LEU 43 N 1.26 4.08 -0.19 3.92 2.96 0.17 -0.87 118.68 130.00 1y2x s LEU 43 Ca -0.04 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 1y2x s LEU 43 Cb -0.18 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 1y2x s LEU 43 CO -0.03 -0.25 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.79 1y2x s THR 44 N 2.09 3.25 0.12 3.68 2.01 -0.27 -0.27 115.64 126.25 1y2x s THR 44 Ca 0.21 -0.55 0.10 0.00 0.31 0.00 0.00 61.69 61.76 1y2x s THR 44 Cb -0.16 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 1y2x s THR 44 CO 0.09 0.46 -0.24 -0.04 -0.69 0.00 0.00 174.62 174.21 1y2x s MET 45 N 1.08 1.27 0.40 4.92 -1.94 -0.06 -0.70 119.30 124.27 1y2x s MET 45 Ca 0.01 -1.27 0.22 0.00 -1.71 0.00 0.00 55.69 52.93 1y2x s MET 45 Cb -0.15 -1.64 0.63 0.00 2.01 0.00 0.00 34.83 35.69 1y2x s MET 45 CO -0.01 0.38 1.70 0.78 -0.01 0.00 0.00 175.02 177.86 1y2x h GLY 46 N 3.92 0.00 -0.36 -0.03 0.00 -1.66 -1.57 103.07 103.37 1y2x h GLY 46 Ca -0.48 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.89 1y2x h GLY 46 CO 0.40 0.00 0.15 0.61 0.00 0.00 0.00 176.54 177.70 1y2x n GLY 47 N 0.55 1.13 3.76 4.60 0.00 -1.25 -3.84 105.19 110.14 1y2x n GLY 47 Ca 0.01 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 1y2x n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y2x s SER 48 N -1.62 7.51 0.00 1.61 0.15 -1.26 -4.36 113.70 115.73 1y2x s SER 48 Ca 0.06 2.01 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1y2x s SER 48 Cb -0.01 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1y2x s SER 48 CO 0.01 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1y2x n GLY 49 N 1.30 1.36 0.55 9.45 0.00 0.79 -4.79 105.19 113.85 1y2x n GLY 49 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1y2x n GLY 49 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1y2x n THR 50 N -0.10 0.00 -3.78 2.61 5.66 -1.21 -4.66 114.28 112.80 1y2x n THR 50 Ca 0.00 -0.40 -0.03 0.00 -3.05 0.00 0.00 64.05 60.57 1y2x n THR 50 Cb 0.00 0.17 -0.00 0.00 -1.55 0.00 0.00 70.33 68.95 1y2x n THR 50 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1y2x s SER 51 N -1.41 -0.10 -0.01 1.09 1.04 -1.26 -2.18 113.70 110.87 1y2x s SER 51 Ca 0.05 -0.48 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1y2x s SER 51 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1y2x s SER 51 CO 0.03 -0.89 0.20 -0.83 0.98 0.00 0.00 173.24 172.74 1y2x s GLY 52 N -3.10 -0.04 0.08 7.32 0.00 0.01 -1.24 107.32 110.36 1y2x s GLY 52 Ca 0.16 0.08 0.10 0.00 0.00 0.00 0.00 44.72 45.05 1y2x s GLY 52 CO 0.03 -0.08 -0.25 -0.56 0.00 0.00 0.00 173.10 172.24 1y2x s SER 53 N -1.26 3.38 -0.08 1.64 0.01 -0.92 -1.11 113.70 115.36 1y2x s SER 53 Ca -0.13 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 56.54 1y2x s SER 53 Cb -0.06 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1y2x s SER 53 CO 0.02 0.22 -0.21 -0.76 0.41 0.00 0.00 173.24 172.93 1y2x s LEU 54 N -1.66 1.97 -0.11 2.44 1.43 0.37 -1.12 118.68 122.00 1y2x s LEU 54 Ca 0.14 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1y2x s LEU 54 Cb -0.10 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 1y2x s LEU 54 CO 0.05 0.15 0.02 -0.60 0.23 0.00 0.00 176.35 176.19 1y2x s ARG 55 N 0.29 3.28 -0.01 1.70 3.52 -0.52 -0.23 118.95 126.98 1y2x s ARG 55 Ca -0.14 -0.38 0.06 0.00 -0.13 0.00 0.00 55.73 55.14 1y2x s ARG 55 Cb -0.16 -2.92 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1y2x s ARG 55 CO 0.06 0.58 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.89 1y2x s PHE 56 N -0.54 1.64 -0.04 5.12 0.40 -0.52 -1.47 117.98 122.57 1y2x s PHE 56 Ca 0.10 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 1y2x s PHE 56 Cb -0.12 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.36 1y2x s PHE 56 CO 0.02 -0.03 -0.14 0.08 0.70 0.00 0.00 175.22 175.86 1y2x s VAL 57 N -0.43 1.16 -0.36 -0.44 1.01 -0.37 -1.67 120.40 119.30 1y2x s VAL 57 Ca 0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1y2x s VAL 57 Cb -0.07 -1.01 0.08 0.00 0.00 0.00 0.00 36.38 35.39 1y2x s VAL 57 CO -0.01 0.34 0.10 -0.55 0.00 0.00 0.00 175.10 174.99 1y2x s SER 58 N 0.14 5.05 0.29 3.32 0.15 0.10 -0.77 113.70 121.98 1y2x s SER 58 Ca -0.04 -1.75 0.14 0.00 0.70 0.00 0.00 55.95 55.00 1y2x s SER 58 Cb -0.11 -1.76 0.31 0.00 -1.71 0.00 0.00 66.02 62.76 1y2x s SER 58 CO 0.02 -0.41 1.56 0.28 1.20 0.00 0.00 173.24 175.88 1y2x h SER 59 N 7.97 0.00 -0.91 5.45 0.02 -1.80 -1.46 113.55 122.82 1y2x h SER 59 Ca -0.15 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 60.93 1y2x h SER 59 Cb 1.05 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1y2x h SER 59 CO 0.61 0.57 0.59 0.44 -1.14 0.00 0.00 176.83 177.89 1y2x h ASP 60 N 0.00 0.74 0.00 3.07 5.19 -1.94 -3.25 116.42 120.24 1y2x h ASP 60 Ca -0.01 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1y2x h ASP 60 Cb 1.21 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1y2x h ASP 60 CO 0.07 0.39 -0.01 0.35 -3.12 0.00 0.00 179.24 176.92 1y2x n THR 61 N -4.57 1.01 -3.81 0.35 -2.24 -1.15 -5.00 114.28 98.87 1y2x n THR 61 Ca 0.17 -1.07 -0.25 0.00 -2.27 0.00 0.00 64.05 60.63 1y2x n THR 61 Cb 0.41 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 69.10 1y2x n THR 61 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1y2x n ASP 62 N -0.59 -2.42 -4.39 3.42 4.64 -0.83 -4.99 116.55 111.39 1y2x n ASP 62 Ca 0.03 -0.82 -0.25 0.00 -1.38 0.00 0.00 54.79 52.37 1y2x n ASP 62 Cb 0.36 -3.89 -0.11 0.00 -1.04 0.00 0.00 41.12 36.43 1y2x n ASP 62 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1y2x s GLU 63 N -6.27 1.43 0.12 -0.67 2.02 -0.61 -5.02 118.70 109.69 1y2x s GLU 63 Ca 0.25 -1.48 -0.25 0.00 0.02 0.00 0.00 54.97 53.50 1y2x s GLU 63 Cb -0.13 -1.65 0.07 0.00 0.10 0.00 0.00 34.13 32.53 1y2x s GLU 63 CO 0.83 0.35 0.83 -1.54 0.02 0.00 0.00 175.26 175.75 1y2x s SER 64 N -2.68 -0.33 -0.06 -0.19 1.04 -1.26 0.01 113.70 110.23 1y2x s SER 64 Ca 0.19 -0.21 -0.30 0.00 0.48 0.00 0.00 55.95 56.11 1y2x s SER 64 Cb -0.07 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.65 1y2x s SER 64 CO 0.09 -0.88 0.80 0.72 0.98 0.00 0.00 173.24 174.95 1y2x s PHE 65 N -3.40 -0.52 -0.15 5.02 -0.12 -0.67 -4.19 117.98 113.95 1y2x s PHE 65 Ca 0.07 0.79 -0.01 0.00 -0.05 0.00 0.00 56.93 57.73 1y2x s PHE 65 Cb -0.02 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 1y2x s PHE 65 CO -0.04 -0.54 -0.12 0.08 -0.05 0.00 0.00 175.22 174.55 1y2x s VAL 66 N -1.63 3.05 -0.18 -2.49 1.01 0.47 -1.44 120.40 119.18 1y2x s VAL 66 Ca -0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1y2x s VAL 66 Cb -0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1y2x s VAL 66 CO 0.03 0.50 -0.00 0.00 0.00 0.00 0.00 175.10 175.63 1y2x s ALA 67 N 0.66 3.08 -0.07 5.51 0.00 0.68 -1.05 121.76 130.58 1y2x s ALA 67 Ca -0.06 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1y2x s ALA 67 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1y2x s ALA 67 CO 0.02 0.05 -0.20 0.99 0.00 0.00 0.00 175.76 176.62 1y2x s THR 68 N 0.64 2.53 0.00 0.00 2.01 -0.08 -0.48 115.64 120.27 1y2x s THR 68 Ca -0.01 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1y2x s THR 68 Cb -0.14 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1y2x s THR 68 CO 0.02 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.02 1y2x s PHE 69 N -0.21 1.19 0.00 4.92 0.40 -0.26 -1.72 117.98 122.29 1y2x s PHE 69 Ca -0.01 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1y2x s PHE 69 Cb -0.13 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.65 1y2x s PHE 69 CO 0.03 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.36 1y2x n GLY 70 N 2.51 1.48 2.95 4.36 0.00 -0.90 -0.81 105.19 114.78 1y2x n GLY 70 Ca -0.15 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 1y2x n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2x s VAL 71 N -2.67 0.95 -0.11 1.61 1.01 -0.93 -0.99 120.40 119.28 1y2x s VAL 71 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1y2x s VAL 71 Cb 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 36.38 35.47 1y2x s VAL 71 CO 0.00 0.33 -0.14 -2.28 0.00 0.00 0.00 175.10 173.01 1y2x s HIS 72 N 1.13 1.86 -1.42 5.22 5.04 0.31 -0.15 115.29 127.29 1y2x s HIS 72 Ca -0.06 -0.88 -0.11 0.00 -1.54 0.00 0.00 55.06 52.47 1y2x s HIS 72 Cb -0.14 -1.37 0.01 0.00 0.04 0.00 0.00 32.58 31.12 1y2x s HIS 72 CO -0.01 -0.47 0.29 0.09 -2.34 0.00 0.00 174.74 172.29 1y2x n ASN 73 N 4.30 -0.95 -0.51 9.88 3.02 -1.26 -1.92 115.26 127.82 1y2x n ASN 73 Ca -0.19 -1.23 -0.07 0.00 -0.03 0.00 0.00 54.58 53.07 1y2x n ASN 73 Cb 0.51 -1.92 -0.03 0.00 -0.61 0.00 0.00 39.78 37.73 1y2x n ASN 73 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1y2x n TYR 74 N -4.68 0.00 -4.66 3.10 4.02 -1.26 -4.98 117.16 108.70 1y2x n TYR 74 Ca -0.25 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.41 1y2x n TYR 74 Cb 0.65 -1.87 -0.15 0.00 -0.02 0.00 0.00 39.34 37.95 1y2x n TYR 74 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1y2x s LYS 75 N -2.21 1.20 0.63 -0.72 1.02 -0.81 -5.00 119.74 113.85 1y2x s LYS 75 Ca 0.00 -0.58 -0.18 0.00 0.02 0.00 0.00 55.97 55.23 1y2x s LYS 75 Cb 0.00 -1.17 -0.02 0.00 -0.52 0.00 0.00 37.83 36.12 1y2x s LYS 75 CO 0.00 0.32 1.25 -0.98 -0.92 0.00 0.00 175.35 175.01 1y2x s ARG 76 N -0.48 2.73 0.08 1.68 3.03 -1.26 -0.53 118.95 124.20 1y2x s ARG 76 Ca 0.05 1.93 -0.01 0.00 2.03 0.00 0.00 55.73 59.74 1y2x s ARG 76 Cb -0.06 -1.89 -0.04 0.00 -1.03 0.00 0.00 34.95 31.93 1y2x s ARG 76 CO -0.00 -1.42 -0.02 1.67 -1.13 0.00 0.00 175.30 174.40 1y2x s TRP 77 N -1.53 0.66 0.04 5.89 1.48 -0.16 -3.82 118.94 121.51 1y2x s TRP 77 Ca 0.80 -1.08 -0.15 0.00 -1.06 0.00 0.00 56.10 54.60 1y2x s TRP 77 Cb -0.34 -0.44 0.02 0.00 -1.16 0.00 0.00 33.47 31.56 1y2x s TRP 77 CO 0.37 -0.37 0.33 0.00 -4.06 0.00 0.00 176.95 173.22 1y2x s ASP 79 N -1.99 -0.43 -0.06 0.00 2.15 -0.70 -4.72 116.67 110.92 1y2x s ASP 79 Ca -0.06 0.27 0.04 0.00 0.43 0.00 0.00 52.55 53.23 1y2x s ASP 79 Cb -0.01 0.46 -0.00 0.00 -0.30 0.00 0.00 42.92 43.07 1y2x s ASP 79 CO -0.02 -0.64 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.52 1y2x s ILE 80 N -1.94 1.63 -0.12 4.11 1.01 -1.26 -0.90 121.20 123.72 1y2x s ILE 80 Ca -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.80 1y2x s ILE 80 Cb -0.01 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.06 1y2x s ILE 80 CO 0.02 0.46 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 1y2x s VAL 81 N 0.18 1.94 0.00 2.92 1.01 -0.21 -4.98 120.40 121.25 1y2x s VAL 81 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1y2x s VAL 81 Cb -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1y2x s VAL 81 CO 0.04 0.53 0.00 1.07 0.00 0.00 0.00 175.10 176.74 1y2x n THR 82 N 3.85 0.00 -3.91 3.92 5.66 -1.26 -0.39 114.28 122.15 1y2x n THR 82 Ca -0.20 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.53 1y2x n THR 82 Cb 0.52 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.31 1y2x n THR 82 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1y2x n ASN 83 N -1.12 -2.58 -4.76 1.09 3.02 -1.26 -4.92 115.26 104.73 1y2x n ASN 83 Ca 0.00 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.27 1y2x n ASN 83 Cb 0.00 -3.59 -0.04 0.00 -0.61 0.00 0.00 39.78 35.54 1y2x n ASN 83 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y2x s LEU 84 N -7.04 4.52 0.84 3.41 1.43 -1.26 -5.05 118.68 115.53 1y2x s LEU 84 Ca 0.34 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 1y2x s LEU 84 Cb -0.18 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.51 1y2x s LEU 84 CO 0.85 -0.23 1.16 0.42 0.23 0.00 0.00 176.35 178.78 1y2x s THR 85 N -1.11 2.05 -0.29 5.49 -4.23 -1.26 -4.95 115.64 111.33 1y2x s THR 85 Ca 0.46 0.02 0.25 0.00 -1.18 0.00 0.00 61.69 61.23 1y2x s THR 85 Cb -0.34 -2.92 0.26 0.00 1.34 0.00 0.00 72.50 70.84 1y2x s THR 85 CO 0.43 -0.02 1.75 0.78 -0.54 0.00 0.00 174.62 177.02 1y2x h ASN 86 N -1.20 0.00 0.26 3.99 2.35 -2.04 -2.14 115.58 116.78 1y2x h ASN 86 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1y2x h ASN 86 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1y2x h ASN 86 CO 0.64 0.00 -0.54 -0.62 -1.65 0.00 0.00 177.43 175.26 1y2x n GLU 87 N -2.36 0.37 -3.02 0.81 4.71 -1.26 -4.62 120.64 115.27 1y2x n GLU 87 Ca 0.01 -0.26 -0.44 0.00 -0.01 0.00 0.00 57.16 56.46 1y2x n GLU 87 Cb 0.17 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 1y2x n GLU 87 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1y2x n GLN 88 N -1.09 3.90 -1.92 3.49 6.02 -0.81 -4.83 117.38 122.14 1y2x n GLN 88 Ca 0.07 -4.29 -0.29 0.00 -0.01 0.00 0.00 57.00 52.48 1y2x n GLN 88 Cb 0.35 -2.65 0.08 0.00 1.02 0.00 0.00 30.24 29.05 1y2x n GLN 88 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y2x s THR 89 N -1.29 2.16 0.41 5.09 -4.23 -1.26 -4.76 115.64 111.77 1y2x s THR 89 Ca 0.34 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1y2x s THR 89 Cb -0.01 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 71.06 1y2x s THR 89 CO 0.01 -0.06 2.05 0.00 -0.54 0.00 0.00 174.62 176.09 1y2x h ALA 90 N -0.99 1.74 -0.49 3.99 0.00 -1.95 -0.53 119.26 121.04 1y2x h ALA 90 Ca -0.46 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.49 1y2x h ALA 90 Cb 1.32 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1y2x h ALA 90 CO 0.65 0.23 0.19 1.25 0.00 0.00 0.00 179.25 181.57 1y2x h LEU 91 N 0.54 0.22 0.15 0.00 6.46 -1.96 0.23 115.31 120.95 1y2x h LEU 91 Ca 0.16 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1y2x h LEU 91 Cb -0.00 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1y2x h LEU 91 CO -0.04 0.16 -0.07 0.58 -0.62 0.00 0.00 178.44 178.45 1y2x h VAL 92 N 0.38 0.98 -0.43 1.05 2.07 -1.70 -3.19 116.25 115.41 1y2x h VAL 92 Ca 0.23 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1y2x h VAL 92 Cb 0.22 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1y2x h VAL 92 CO -0.22 0.15 0.22 0.40 0.02 0.00 0.00 177.57 178.15 1y2x h ILE 93 N -0.52 1.17 -0.29 4.57 1.08 -0.80 -2.76 117.51 119.94 1y2x h ILE 93 Ca -0.02 -0.45 0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1y2x h ILE 93 Cb 0.41 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1y2x h ILE 93 CO 0.03 0.18 0.06 -1.13 -0.69 0.00 0.00 178.15 176.60 1y2x h ASN 94 N 0.56 0.01 -0.76 1.72 -0.00 -0.66 -2.43 115.58 114.02 1y2x h ASN 94 Ca 0.15 0.05 0.07 0.00 -0.00 0.00 0.00 56.30 56.56 1y2x h ASN 94 Cb 0.08 0.06 -0.05 0.00 -0.00 0.00 0.00 38.32 38.42 1y2x h ASN 94 CO -0.02 0.04 0.50 -0.61 -0.00 0.00 0.00 177.43 177.34 1y2x h GLN 95 N 0.17 0.77 0.00 6.67 4.15 -1.51 -2.79 115.11 122.56 1y2x h GLN 95 Ca 0.14 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1y2x h GLN 95 Cb 0.14 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1y2x h GLN 95 CO -0.18 0.51 0.00 0.93 -1.93 0.00 0.00 178.83 178.16 1y2x h GLU 96 N 0.79 0.00 0.00 1.69 5.08 -1.15 -2.07 114.58 118.92 1y2x h GLU 96 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1y2x h GLU 96 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1y2x h GLU 96 CO -0.11 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.56 1y2x n TYR 97 N -2.77 0.00 -2.74 4.33 4.02 -1.05 -2.07 117.16 116.88 1y2x n TYR 97 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.73 1y2x n TYR 97 Cb 0.18 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.50 1y2x n TYR 97 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1y2x n TYR 98 N -0.79 1.61 0.00 -0.72 4.02 -0.78 -4.44 117.16 116.07 1y2x n TYR 98 Ca 0.10 -3.13 0.00 0.00 -0.01 0.00 0.00 57.90 54.86 1y2x n TYR 98 Cb 0.05 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 1y2x n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y2x n GLY 99 N -0.09 0.62 3.63 2.72 0.00 -1.22 -5.11 105.19 105.75 1y2x n GLY 99 Ca 0.19 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1y2x n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y2x s VAL 100 N 0.00 4.97 0.18 1.61 1.01 -0.88 -4.99 120.40 122.30 1y2x s VAL 100 Ca 0.00 1.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.97 1y2x s VAL 100 Cb 0.00 -3.96 0.11 0.00 0.00 0.00 0.00 36.38 32.53 1y2x s VAL 100 CO 0.00 0.02 1.60 -0.65 0.00 0.00 0.00 175.10 176.07 1y2x h PRO 101 N 7.84 -0.17 -0.68 2.72 0.11 -1.99 0.25 132.00 140.07 1y2x h PRO 101 Ca -0.27 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1y2x h PRO 101 Cb 1.12 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1y2x h PRO 101 CO 0.79 -0.11 0.39 0.97 -0.21 0.00 0.00 178.00 179.83 1y2x h ILE 102 N -0.18 1.20 -0.17 4.15 6.09 -1.94 0.09 117.51 126.75 1y2x h ILE 102 Ca 0.21 -0.47 -0.09 0.00 -1.37 0.00 0.00 64.86 63.15 1y2x h ILE 102 Cb 0.52 0.25 -0.00 0.00 0.47 0.00 0.00 36.82 38.06 1y2x h ILE 102 CO -0.59 0.21 -0.22 0.03 -3.07 0.00 0.00 178.15 174.51 1y2x h ARG 103 N 0.95 0.46 -0.51 2.19 2.47 -1.66 -2.77 114.38 115.51 1y2x h ARG 103 Ca 0.24 -0.26 0.09 0.00 -1.26 0.00 0.00 59.98 58.80 1y2x h ARG 103 Cb -0.01 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.25 1y2x h ARG 103 CO -0.04 0.85 0.05 -0.44 0.56 0.00 0.00 179.97 180.94 1y2x h ASP 104 N 0.10 -0.11 -0.62 7.04 3.32 0.01 -2.03 116.42 124.13 1y2x h ASP 104 Ca 0.02 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1y2x h ASP 104 Cb 0.79 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1y2x h ASP 104 CO 0.05 -0.03 0.30 -0.61 -1.72 0.00 0.00 179.24 177.23 1y2x h GLN 105 N 0.18 0.90 -0.63 3.56 5.75 -1.00 0.19 115.11 124.06 1y2x h GLN 105 Ca 0.26 -0.13 0.06 0.00 -0.15 0.00 0.00 58.65 58.69 1y2x h GLN 105 Cb 0.38 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 1y2x h GLN 105 CO -0.38 0.72 0.33 0.00 -2.65 0.00 0.00 178.83 176.85 1y2x h ALA 106 N 1.13 0.83 -0.50 3.38 0.00 -1.14 0.29 119.26 123.24 1y2x h ALA 106 Ca 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1y2x h ALA 106 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1y2x h ALA 106 CO -0.03 -0.01 -0.00 -0.09 0.00 0.00 0.00 179.25 179.12 1y2x h ARG 107 N 0.61 0.89 0.00 0.00 2.43 -0.98 -2.95 114.38 114.38 1y2x h ARG 107 Ca 0.28 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1y2x h ARG 107 Cb 0.20 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1y2x h ARG 107 CO -0.19 0.92 -0.08 0.93 -1.51 0.00 0.00 179.97 180.05 1y2x h GLU 108 N 0.76 0.00 0.00 0.20 5.08 0.23 -2.64 114.58 118.21 1y2x h GLU 108 Ca 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1y2x h GLU 108 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1y2x h GLU 108 CO 0.03 0.08 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.08 1y2x h ASN 109 N 0.00 0.00 -6.15 1.42 -0.26 -0.78 -3.47 115.58 106.33 1y2x h ASN 109 Ca -0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 56.30 55.32 1y2x h ASN 109 Cb 0.26 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.57 1y2x h ASN 109 CO 0.01 0.12 -0.87 0.00 -1.06 0.00 0.00 177.43 175.63 1y2x n GLN 110 N -3.45 -3.45 -2.99 0.81 6.02 -0.99 -4.91 117.38 108.41 1y2x n GLN 110 Ca -0.01 0.56 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 1y2x n GLN 110 Cb 0.29 -4.84 -0.06 0.00 1.02 0.00 0.00 30.24 26.65 1y2x n GLN 110 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1y2x s LEU 111 N -6.57 4.35 0.07 1.08 1.43 -1.25 -4.77 118.68 113.02 1y2x s LEU 111 Ca 0.16 1.57 0.24 0.00 -1.03 0.00 0.00 54.13 55.07 1y2x s LEU 111 Cb -0.05 -3.72 0.41 0.00 0.03 0.00 0.00 46.19 42.86 1y2x s LEU 111 CO 0.83 0.01 1.35 0.35 0.23 0.00 0.00 176.35 179.12 1y2x n THR 112 N 0.71 0.22 -3.63 5.49 -2.24 -1.26 -3.82 114.28 109.75 1y2x n THR 112 Ca -0.01 -0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1y2x n THR 112 Cb 0.51 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1y2x n THR 112 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y2x s SER 113 N -3.79 -0.67 -0.13 3.42 1.04 -1.26 -0.77 113.70 111.54 1y2x s SER 113 Ca 0.08 1.17 -0.17 0.00 0.48 0.00 0.00 55.95 57.51 1y2x s SER 113 Cb 0.15 1.16 0.04 0.00 0.10 0.00 0.00 66.02 67.47 1y2x s SER 113 CO 0.71 -0.31 0.45 -0.47 0.98 0.00 0.00 173.24 174.60 1y2x s TYR 114 N -0.01 -0.45 0.03 5.02 5.04 -0.38 -5.00 117.35 121.58 1y2x s TYR 114 Ca -0.03 1.03 -0.09 0.00 -2.44 0.00 0.00 57.07 55.55 1y2x s TYR 114 Cb -0.04 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.45 1y2x s TYR 114 CO 0.03 -0.30 0.17 0.54 -1.34 0.00 0.00 175.55 174.65 1y2x s ASN 115 N -0.18 0.04 -0.05 4.32 2.20 -1.26 -0.35 114.94 119.66 1y2x s ASN 115 Ca -0.04 -0.32 -0.28 0.00 -0.94 0.00 0.00 52.86 51.29 1y2x s ASN 115 Cb -0.03 0.26 0.06 0.00 -2.00 0.00 0.00 41.25 39.54 1y2x s ASN 115 CO 0.02 -0.50 0.61 0.54 -2.94 0.00 0.00 177.10 174.83 1y2x s VAL 116 N -2.19 0.01 -0.05 3.54 0.11 -0.04 -4.98 120.40 116.80 1y2x s VAL 116 Ca -0.08 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1y2x s VAL 116 Cb -0.03 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1y2x s VAL 116 CO -0.02 -0.05 -0.03 0.00 -3.33 0.00 0.00 175.10 171.67 1y2x s ALA 117 N -1.17 3.15 0.96 1.54 0.00 -1.26 0.13 121.76 125.11 1y2x s ALA 117 Ca -0.11 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.83 1y2x s ALA 117 Cb -0.01 -1.32 0.18 0.00 0.00 0.00 0.00 23.12 21.97 1y2x s ALA 117 CO 0.09 0.60 1.08 0.27 0.00 0.00 0.00 175.76 177.80 1y2x n ASN 118 N 1.91 0.20 0.27 0.00 0.23 -0.44 -4.88 115.26 112.55 1y2x n ASN 118 Ca -0.17 -1.46 0.17 0.00 -0.53 0.00 0.00 54.58 52.59 1y2x n ASN 118 Cb 0.53 -0.82 0.94 0.00 -2.08 0.00 0.00 39.78 38.35 1y2x n ASN 118 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y2x h ALA 119 N -1.69 1.52 -0.01 -2.53 0.00 -1.97 -0.37 119.26 114.22 1y2x h ALA 119 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1y2x h ALA 119 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1y2x h ALA 119 CO 0.26 -0.15 -0.22 1.63 0.00 0.00 0.00 179.25 180.77 1y2x n LYS 120 N -3.60 1.09 -0.54 0.00 5.02 -1.26 -4.95 118.16 113.93 1y2x n LYS 120 Ca -0.01 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.59 1y2x n LYS 120 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1y2x n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y2x n GLY 121 N 1.32 0.73 3.73 0.72 0.00 -0.15 -5.05 105.19 106.50 1y2x n GLY 121 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1y2x n GLY 121 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y2x s ARG 122 N -0.46 4.60 -0.02 1.61 3.52 -1.26 -4.81 118.95 122.12 1y2x s ARG 122 Ca 0.00 1.27 -0.10 0.00 -0.13 0.00 0.00 55.73 56.77 1y2x s ARG 122 Cb 0.00 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1y2x s ARG 122 CO 0.00 0.22 0.30 1.03 -0.81 0.00 0.00 175.30 176.04 1y2x s ARG 123 N 0.06 3.69 -0.02 5.12 0.52 -1.26 -1.33 118.95 125.73 1y2x s ARG 123 Ca 0.43 0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.84 1y2x s ARG 123 Cb -0.22 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.08 1y2x s ARG 123 CO 0.27 0.69 -0.24 -0.06 0.02 0.00 0.00 175.30 175.97 1y2x s PHE 124 N -1.16 2.19 0.01 -0.53 0.40 0.12 -0.56 117.98 118.45 1y2x s PHE 124 Ca 0.24 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1y2x s PHE 124 Cb -0.14 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 1y2x s PHE 124 CO 0.12 -0.03 -0.06 0.00 0.70 0.00 0.00 175.22 175.95 1y2x s ALA 125 N -0.58 0.44 -0.11 5.36 0.00 -0.09 -0.87 121.76 125.91 1y2x s ALA 125 Ca 0.09 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1y2x s ALA 125 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1y2x s ALA 125 CO -0.01 0.04 -0.17 0.42 0.00 0.00 0.00 175.76 176.04 1y2x s ILE 126 N -0.64 2.68 -0.11 0.00 1.01 0.53 0.00 121.20 124.67 1y2x s ILE 126 Ca -0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1y2x s ILE 126 Cb -0.05 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.37 1y2x s ILE 126 CO -0.00 0.54 -0.00 -1.61 0.00 0.00 0.00 174.94 173.87 1y2x s GLU 127 N 0.20 0.75 0.01 2.79 2.02 -0.28 -1.25 118.70 122.94 1y2x s GLU 127 Ca -0.11 -0.07 -0.30 0.00 0.02 0.00 0.00 54.97 54.51 1y2x s GLU 127 Cb -0.16 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.69 1y2x s GLU 127 CO 0.06 -0.38 1.24 0.71 0.02 0.00 0.00 175.26 176.91 1y2x s TYR 128 N 1.91 3.23 -0.12 1.61 1.51 0.05 0.25 117.35 125.78 1y2x s TYR 128 Ca 0.04 1.17 0.18 0.00 -1.01 0.00 0.00 57.07 57.44 1y2x s TYR 128 Cb -0.13 -3.48 -0.20 0.00 -0.11 0.00 0.00 41.96 38.04 1y2x s TYR 128 CO -0.06 -1.55 0.57 0.25 -1.11 0.00 0.00 175.55 173.65 1y2x n THR 129 N 4.33 1.03 -4.06 -0.71 -2.24 0.24 -4.72 114.28 108.15 1y2x n THR 129 Ca 0.11 -0.70 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1y2x n THR 129 Cb 0.46 -0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 67.99 1y2x n THR 129 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y2x s VAL 130 N -2.92 2.00 -1.68 2.28 1.01 -1.05 -4.97 120.40 115.06 1y2x s VAL 130 Ca -0.06 -1.27 0.14 0.00 0.00 0.00 0.00 61.98 60.79 1y2x s VAL 130 Cb 0.09 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.56 1y2x s VAL 130 CO 0.83 0.19 0.92 0.35 0.00 0.00 0.00 175.10 177.39 1y2x n THR 131 N 4.55 0.00 -4.11 3.92 -2.24 -1.26 -2.59 114.28 112.56 1y2x n THR 131 Ca -0.16 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.02 1y2x n THR 131 Cb 0.46 1.28 -0.11 0.00 -2.10 0.00 0.00 70.33 69.86 1y2x n THR 131 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1y2x s GLU 132 N -1.20 0.65 0.10 -0.78 0.41 -1.26 -4.72 118.70 111.91 1y2x s GLU 132 Ca 0.16 -1.06 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 1y2x s GLU 132 Cb 0.11 -0.15 0.00 0.00 -1.78 0.00 0.00 34.13 32.32 1y2x s GLU 132 CO 0.19 -0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.36 1y2x n GLY 133 N 0.63 -3.08 0.10 -1.39 0.00 -1.26 -4.63 105.19 95.56 1y2x n GLY 133 Ca -0.17 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 1y2x n GLY 133 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y2x h ASP 134 N 0.00 0.00 -3.65 1.61 3.32 -1.94 -3.41 116.42 112.35 1y2x h ASP 134 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 1y2x h ASP 134 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.23 1y2x h ASP 134 CO 0.00 0.77 -0.38 0.20 -1.72 0.00 0.00 179.24 178.10 1y2x s ASN 135 N -6.71 5.53 0.14 6.45 0.01 -1.26 -0.88 114.94 118.23 1y2x s ASN 135 Ca 0.00 -2.30 -0.01 0.00 -0.71 0.00 0.00 52.86 49.84 1y2x s ASN 135 Cb 0.11 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 1y2x s ASN 135 CO 0.78 -0.54 0.33 -0.76 -1.51 0.00 0.00 177.10 175.39 1y2x s LEU 136 N 0.76 4.29 -0.02 0.60 1.43 0.98 -4.93 118.68 121.80 1y2x s LEU 136 Ca 0.11 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1y2x s LEU 136 Cb -0.22 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.88 1y2x s LEU 136 CO -0.03 0.05 -0.10 -0.54 0.23 0.00 0.00 176.35 175.96 1y2x s LYS 137 N -2.93 0.87 0.02 1.70 1.02 -1.07 -0.61 119.74 118.75 1y2x s LYS 137 Ca 0.38 -0.33 -0.05 0.00 0.02 0.00 0.00 55.97 55.99 1y2x s LYS 137 Cb -0.12 -0.83 -0.01 0.00 -0.52 0.00 0.00 37.83 36.35 1y2x s LYS 137 CO 0.28 0.17 0.08 0.00 -0.92 0.00 0.00 175.35 174.95 1y2x s ALA 138 N -0.05 -0.11 -0.15 5.17 0.00 0.04 -0.59 121.76 126.08 1y2x s ALA 138 Ca 0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 1y2x s ALA 138 Cb -0.06 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1y2x s ALA 138 CO -0.00 -0.23 0.09 -0.80 0.00 0.00 0.00 175.76 174.82 1y2x s ASN 139 N -1.66 5.97 -0.25 0.00 0.02 0.14 -1.46 114.94 117.70 1y2x s ASN 139 Ca -0.12 0.27 -0.05 0.00 -1.02 0.00 0.00 52.86 51.94 1y2x s ASN 139 Cb -0.06 -1.95 -0.00 0.00 0.02 0.00 0.00 41.25 39.26 1y2x s ASN 139 CO -0.01 0.30 0.00 -0.22 0.02 0.00 0.00 177.10 177.19 1y2x s LEU 140 N -0.38 3.23 -0.18 0.60 2.96 0.11 -1.12 118.68 123.89 1y2x s LEU 140 Ca 0.10 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1y2x s LEU 140 Cb -0.12 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.79 1y2x s LEU 140 CO 0.02 -0.07 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.18 1y2x s ILE 141 N 1.49 2.38 -0.33 6.68 1.01 0.10 0.02 121.20 132.55 1y2x s ILE 141 Ca 0.04 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1y2x s ILE 141 Cb -0.15 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.29 1y2x s ILE 141 CO -0.01 0.51 0.18 -0.63 0.00 0.00 0.00 174.94 175.00 1y2x s ILE 142 N 1.27 4.76 -2.30 2.92 1.01 0.11 -0.92 121.20 128.05 1y2x s ILE 142 Ca 0.04 -0.46 0.30 0.00 0.00 0.00 0.00 60.65 60.52 1y2x s ILE 142 Cb -0.14 -3.48 0.69 0.00 0.01 0.00 0.00 42.46 39.55 1y2x s ILE 142 CO -0.09 -0.01 1.94 0.61 0.00 0.00 0.00 174.94 177.38