#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 2.73 -0.01 -1.42 1.51 -0.35 -4.85 117.35 114.97 1y2x s TYR 3 Ca 0.00 -0.14 0.08 0.00 -1.01 0.00 0.00 57.07 56.00 1y2x s TYR 3 Cb 0.00 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1y2x s TYR 3 CO 0.00 0.27 -0.25 0.95 -1.11 0.00 0.00 175.55 175.42 1y2x s THR 4 N -0.88 1.95 -0.21 -0.71 -4.23 -0.58 0.06 115.64 111.03 1y2x s THR 4 Ca 0.14 -1.10 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1y2x s THR 4 Cb -0.11 -1.63 0.04 0.00 1.34 0.00 0.00 72.50 72.15 1y2x s THR 4 CO 0.04 0.50 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.85 1y2x s ILE 5 N -0.62 1.98 -0.22 2.99 1.01 0.90 -0.44 121.20 126.80 1y2x s ILE 5 Ca 0.10 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 1y2x s ILE 5 Cb -0.09 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1y2x s ILE 5 CO -0.00 0.26 0.12 -0.44 0.00 0.00 0.00 174.94 174.87 1y2x s SER 6 N 1.26 5.94 -0.17 3.58 0.01 -0.21 -0.33 113.70 123.79 1y2x s SER 6 Ca -0.01 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.36 1y2x s SER 6 Cb -0.16 -2.05 0.03 0.00 0.21 0.00 0.00 66.02 64.04 1y2x s SER 6 CO -0.09 0.11 -0.16 -0.63 0.41 0.00 0.00 173.24 172.89 1y2x s ILE 7 N 0.75 1.77 -0.21 1.44 1.01 0.13 -1.02 121.20 125.07 1y2x s ILE 7 Ca 0.06 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.76 1y2x s ILE 7 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1y2x s ILE 7 CO 0.02 0.44 0.28 -0.13 0.00 0.00 0.00 174.94 175.55 1y2x s ARG 8 N 1.39 4.16 -0.20 2.79 0.52 -0.50 -1.51 118.95 125.60 1y2x s ARG 8 Ca 0.04 0.00 -0.13 0.00 -0.52 0.00 0.00 55.73 55.11 1y2x s ARG 8 Cb -0.14 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1y2x s ARG 8 CO -0.11 0.06 0.29 0.08 0.02 0.00 0.00 175.30 175.64 1y2x s VAL 9 N 1.02 5.29 -0.17 3.52 1.01 -1.26 -0.09 120.40 129.72 1y2x s VAL 9 Ca 0.14 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1y2x s VAL 9 Cb -0.14 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1y2x s VAL 9 CO 0.05 0.33 -0.18 -0.31 0.00 0.00 0.00 175.10 175.00 1y2x s TYR 10 N 0.89 2.77 -0.30 5.22 1.51 1.00 -4.96 117.35 123.49 1y2x s TYR 10 Ca 0.15 -1.34 -0.06 0.00 -1.01 0.00 0.00 57.07 54.80 1y2x s TYR 10 Cb -0.14 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1y2x s TYR 10 CO 0.05 -0.64 0.08 -1.14 -1.11 0.00 0.00 175.55 172.78 1y2x s GLN 11 N 1.06 2.99 0.13 -0.62 0.74 -1.26 -0.43 119.66 122.28 1y2x s GLN 11 Ca -0.01 -0.92 0.23 0.00 0.05 0.00 0.00 55.36 54.71 1y2x s GLN 11 Cb -0.14 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.59 1y2x s GLN 11 CO -0.06 -0.48 0.98 0.25 -0.55 0.00 0.00 175.29 175.43 1y2x n THR 12 N 4.85 0.42 -4.34 -0.34 -2.24 -0.42 -4.88 114.28 107.33 1y2x n THR 12 Ca -0.14 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 60.97 1y2x n THR 12 Cb 0.47 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.38 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 -3.34 0.73 0.00 4.28 -4.23 -1.26 -5.02 115.64 106.80 1y2x s THR 13 Ca -0.00 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 1y2x s THR 13 Cb 0.11 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1y2x s THR 13 CO 0.80 0.24 0.69 -0.81 -0.54 0.00 0.00 174.62 175.01 1y2x n PRO 14 N 3.53 0.59 -3.94 3.99 -0.04 -1.26 -4.67 135.00 133.21 1y2x n PRO 14 Ca -0.20 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.91 1y2x n PRO 14 Cb 0.53 -1.20 -0.14 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.47 2.76 0.12 0.54 1.02 -1.26 -4.97 119.74 118.42 1y2x s LYS 15 Ca 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 55.97 54.95 1y2x s LYS 15 Cb 0.00 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 1y2x s LYS 15 CO 0.00 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 1y2x n GLY 16 N 4.67 -2.04 3.05 -3.33 0.00 -1.26 -4.99 105.19 101.29 1y2x n GLY 16 Ca -0.16 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.20 -0.59 -0.20 1.61 5.36 -1.26 -5.04 117.98 115.67 1y2x s PHE 17 Ca 0.00 1.07 -0.17 0.00 -0.96 0.00 0.00 56.93 56.87 1y2x s PHE 17 Cb 0.00 0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.70 1y2x s PHE 17 CO 0.00 -0.47 0.45 -0.06 -1.46 0.00 0.00 175.22 173.68 1y2x s PHE 18 N 2.49 3.37 0.07 10.12 0.40 -1.26 -3.94 117.98 129.23 1y2x s PHE 18 Ca 0.02 0.69 0.07 0.00 -0.60 0.00 0.00 56.93 57.11 1y2x s PHE 18 Cb -0.13 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.78 1y2x s PHE 18 CO -0.11 -0.05 -0.14 -0.98 0.70 0.00 0.00 175.22 174.64 1y2x s ARG 19 N 1.44 2.12 0.22 0.44 1.70 -0.04 -4.86 118.95 119.98 1y2x s ARG 19 Ca 0.21 -0.98 -0.30 0.00 -0.47 0.00 0.00 55.73 54.19 1y2x s ARG 19 Cb -0.15 -2.26 -0.09 0.00 -0.57 0.00 0.00 34.95 31.87 1y2x s ARG 19 CO 0.09 0.53 1.34 -1.25 -1.08 0.00 0.00 175.30 174.93 1y2x s PRO 20 N -1.79 4.36 0.00 3.89 0.04 -1.26 -1.27 135.00 138.97 1y2x s PRO 20 Ca 0.18 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1y2x s PRO 20 Cb -0.11 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1y2x s PRO 20 CO 0.09 -0.29 0.00 1.33 0.04 0.00 0.00 177.00 178.17 1y2x n VAL 21 N 2.45 0.00 -3.62 -0.36 0.24 -0.64 -4.93 118.33 111.47 1y2x n VAL 21 Ca 0.06 -0.17 -0.10 0.00 -2.04 0.00 0.00 64.34 62.09 1y2x n VAL 21 Cb 0.42 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.69 0.56 -0.09 7.34 2.12 -1.24 -4.98 118.70 121.72 1y2x s GLU 22 Ca 0.00 0.52 -0.03 0.00 0.36 0.00 0.00 54.97 55.82 1y2x s GLU 22 Cb 0.00 0.27 0.05 0.00 0.26 0.00 0.00 34.13 34.71 1y2x s GLU 22 CO 0.00 -0.10 0.17 -0.98 -0.54 0.00 0.00 175.26 173.81 1y2x s ARG 23 N -0.08 0.05 0.28 4.30 1.70 -1.26 -1.40 118.95 122.53 1y2x s ARG 23 Ca 0.01 0.56 0.11 0.00 -0.47 0.00 0.00 55.73 55.95 1y2x s ARG 23 Cb -0.04 -0.24 -0.05 0.00 -0.57 0.00 0.00 34.95 34.05 1y2x s ARG 23 CO -0.04 -0.29 -0.19 0.95 -1.08 0.00 0.00 175.30 174.66 1y2x s THR 24 N 2.16 2.40 -0.07 4.99 -4.23 -0.06 -4.96 115.64 115.87 1y2x s THR 24 Ca 0.01 -2.38 0.02 0.00 -1.18 0.00 0.00 61.69 58.16 1y2x s THR 24 Cb -0.12 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.44 1y2x s THR 24 CO -0.06 -0.41 -0.12 0.20 -0.54 0.00 0.00 174.62 173.70 1y2x s ASN 25 N -3.50 1.74 0.54 3.99 0.01 -1.26 -2.05 114.94 114.42 1y2x s ASN 25 Ca 0.29 -0.29 -0.17 0.00 -0.71 0.00 0.00 52.86 51.98 1y2x s ASN 25 Cb -0.04 -0.80 -0.06 0.00 0.41 0.00 0.00 41.25 40.75 1y2x s ASN 25 CO 0.14 0.02 1.04 0.86 -1.51 0.00 0.00 177.10 177.66 1y2x s TRP 26 N 0.73 3.04 -0.83 2.20 -0.00 -0.27 -4.97 118.94 118.84 1y2x s TRP 26 Ca -0.13 1.53 0.27 0.00 -0.00 0.00 0.00 56.10 57.77 1y2x s TRP 26 Cb -0.16 -3.01 0.90 0.00 -0.00 0.00 0.00 33.47 31.21 1y2x s TRP 26 CO 0.03 -0.93 1.77 0.36 -0.00 0.00 0.00 176.95 178.18 1y2x n LYS 27 N -1.58 0.17 -1.47 5.86 2.85 -1.26 -4.24 118.16 118.47 1y2x n LYS 27 Ca 0.09 0.12 -0.30 0.00 -1.05 0.00 0.00 58.31 57.17 1y2x n LYS 27 Cb 0.53 -1.68 0.11 0.00 -0.65 0.00 0.00 35.03 33.34 1y2x n LYS 27 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1y2x s TYR 28 N -3.07 2.66 -1.64 5.58 4.12 -1.26 -3.49 117.35 120.25 1y2x s TYR 28 Ca 0.11 1.11 -0.16 0.00 0.02 0.00 0.00 57.07 58.16 1y2x s TYR 28 Cb 0.15 -3.18 0.13 0.00 -1.52 0.00 0.00 41.96 37.54 1y2x s TYR 28 CO 0.59 -2.03 0.78 0.00 0.02 0.00 0.00 175.55 174.91 1y2x n ALA 29 N -3.60 -1.35 -1.56 3.71 0.00 -1.26 -0.90 120.51 115.55 1y2x n ALA 29 Ca 0.07 -0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1y2x n ALA 29 Cb 0.57 -3.43 -0.06 0.00 0.00 0.00 0.00 19.45 16.52 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 -2.72 -4.79 0.00 0.00 3.02 -1.26 -3.56 115.26 105.94 1y2x n ASN 30 Ca 0.03 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1y2x n ASN 30 Cb 0.52 -3.67 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 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 -1.10 0.51 0.00 7.41 0.00 -0.08 -4.74 105.19 107.19 1y2x n GLY 31 Ca -0.16 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 1.47 3.20 -0.02 0.00 -1.26 -3.75 105.19 104.82 1y2x n GLY 32 Ca 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 1.03 -0.14 2.61 -4.23 0.46 -4.87 115.64 108.49 1y2x s THR 33 Ca 0.00 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1y2x s THR 33 Cb 0.00 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.28 1y2x s THR 33 CO 0.00 -0.61 0.02 0.26 -0.54 0.00 0.00 174.62 173.75 1y2x s TRP 34 N -2.71 3.19 0.10 3.99 0.52 -1.26 -1.00 118.94 121.76 1y2x s TRP 34 Ca 0.09 0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.33 1y2x s TRP 34 Cb -0.01 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.33 1y2x s TRP 34 CO 0.00 0.25 -0.16 -0.51 0.02 0.00 0.00 176.95 176.56 1y2x s ASP 35 N -0.15 2.02 -0.23 2.95 1.01 0.01 -4.98 116.67 117.30 1y2x s ASP 35 Ca 0.05 -0.69 -0.13 0.00 0.71 0.00 0.00 52.55 52.49 1y2x s ASP 35 Cb -0.12 -0.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.68 1y2x s ASP 35 CO 0.02 -0.06 0.26 -1.61 0.21 0.00 0.00 175.17 173.99 1y2x s GLU 36 N -2.06 4.10 -0.17 8.23 2.02 -1.26 -0.59 118.70 128.96 1y2x s GLU 36 Ca 0.04 -0.09 -0.05 0.00 0.02 0.00 0.00 54.97 54.89 1y2x s GLU 36 Cb -0.09 -3.55 0.06 0.00 0.10 0.00 0.00 34.13 30.65 1y2x s GLU 36 CO 0.03 -0.01 0.08 0.08 0.02 0.00 0.00 175.26 175.46 1y2x s VAL 37 N 1.26 -0.01 -1.52 2.63 1.01 -0.54 -4.87 120.40 118.36 1y2x s VAL 37 Ca 0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 1y2x s VAL 37 Cb -0.14 -0.63 0.08 0.00 0.00 0.00 0.00 36.38 35.68 1y2x s VAL 37 CO 0.06 -0.27 0.80 0.54 0.00 0.00 0.00 175.10 176.23 1y2x n ARG 38 N 5.25 -4.52 -1.00 2.72 1.74 -1.26 -1.43 116.66 118.16 1y2x n ARG 38 Ca -0.07 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1y2x n ARG 38 Cb 0.49 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.74 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 -1.65 0.53 3.54 -0.13 0.00 -1.26 -5.04 105.19 101.18 1y2x n GLY 39 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.00 1.95 -0.24 1.61 2.02 -0.51 -4.81 118.70 118.71 1y2x s GLU 40 Ca 0.00 -1.51 -0.14 0.00 0.02 0.00 0.00 54.97 53.34 1y2x s GLU 40 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1y2x s GLU 40 CO 0.00 0.37 0.32 0.71 0.02 0.00 0.00 175.26 176.69 1y2x s TYR 41 N -2.16 3.30 -0.25 1.61 1.51 -0.57 -1.47 117.35 119.32 1y2x s TYR 41 Ca 0.28 0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 56.75 1y2x s TYR 41 Cb -0.07 -2.48 0.03 0.00 -0.11 0.00 0.00 41.96 39.34 1y2x s TYR 41 CO 0.16 -0.09 -0.08 0.08 -1.11 0.00 0.00 175.55 174.51 1y2x s VAL 42 N 1.59 2.69 -0.28 0.71 1.01 0.24 0.17 120.40 126.53 1y2x s VAL 42 Ca 0.14 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 1y2x s VAL 42 Cb -0.15 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1y2x s VAL 42 CO 0.08 0.18 0.37 -0.22 0.00 0.00 0.00 175.10 175.51 1y2x s LEU 43 N 1.28 4.09 -0.16 3.92 2.96 0.55 -0.81 118.68 130.51 1y2x s LEU 43 Ca -0.01 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1y2x s LEU 43 Cb -0.17 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 1y2x s LEU 43 CO -0.05 -0.21 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.84 1y2x s THR 44 N 2.07 3.80 0.10 3.68 2.01 -0.17 -0.07 115.64 127.04 1y2x s THR 44 Ca 0.14 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.83 1y2x s THR 44 Cb -0.16 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 1y2x s THR 44 CO 0.10 0.48 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.30 1y2x s MET 45 N 0.51 1.01 0.24 4.92 -1.94 0.11 -0.41 119.30 123.73 1y2x s MET 45 Ca -0.03 -1.11 0.02 0.00 -1.71 0.00 0.00 55.69 52.86 1y2x s MET 45 Cb -0.14 -1.11 0.26 0.00 2.01 0.00 0.00 34.83 35.84 1y2x s MET 45 CO 0.03 0.25 1.58 0.78 -0.01 0.00 0.00 175.02 177.65 1y2x h GLY 46 N 4.02 0.40 -0.75 -0.03 0.00 -1.65 -0.92 103.07 104.15 1y2x h GLY 46 Ca -0.43 -0.44 0.08 0.00 0.00 0.00 0.00 47.33 46.54 1y2x h GLY 46 CO 0.42 0.40 0.31 0.61 0.00 0.00 0.00 176.54 178.28 1y2x n GLY 47 N 0.12 0.95 3.77 4.60 0.00 -1.24 -3.04 105.19 110.36 1y2x n GLY 47 Ca -0.02 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.31 6.08 0.00 1.61 0.15 -1.26 -4.31 113.70 113.66 1y2x s SER 48 Ca 0.12 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.11 1y2x s SER 48 Cb -0.02 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1y2x s SER 48 CO 0.03 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.10 1y2x n GLY 49 N 0.46 1.34 0.00 9.45 0.00 0.11 -4.72 105.19 111.83 1y2x n GLY 49 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.68 0.00 -3.84 2.61 5.66 -1.21 -4.62 114.28 112.21 1y2x n THR 50 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1y2x n THR 50 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 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 -0.85 -0.04 0.03 1.09 1.04 -1.26 -2.48 113.70 111.24 1y2x s SER 51 Ca 0.00 -0.43 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 1y2x s SER 51 Cb 0.00 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1y2x s SER 51 CO 0.00 -0.70 0.27 -0.83 0.98 0.00 0.00 173.24 172.95 1y2x s GLY 52 N -3.33 -0.07 0.02 7.32 0.00 -0.45 -1.12 107.32 109.69 1y2x s GLY 52 Ca 0.20 -0.05 0.07 0.00 0.00 0.00 0.00 44.72 44.94 1y2x s GLY 52 CO 0.02 -0.25 -0.21 -0.56 0.00 0.00 0.00 173.10 172.10 1y2x s SER 53 N -1.97 2.47 -0.07 1.64 0.01 -0.87 -1.34 113.70 113.56 1y2x s SER 53 Ca -0.06 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.78 1y2x s SER 53 Cb -0.02 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1y2x s SER 53 CO -0.02 0.20 -0.20 -0.76 0.41 0.00 0.00 173.24 172.86 1y2x s LEU 54 N -0.90 2.33 -0.07 2.44 1.43 -0.27 -0.88 118.68 122.76 1y2x s LEU 54 Ca 0.08 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1y2x s LEU 54 Cb -0.08 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1y2x s LEU 54 CO 0.01 0.24 -0.06 -0.60 0.23 0.00 0.00 176.35 176.17 1y2x s ARG 55 N -0.14 2.78 -0.00 1.70 3.52 -0.50 -0.99 118.95 125.32 1y2x s ARG 55 Ca -0.03 -0.53 0.06 0.00 -0.13 0.00 0.00 55.73 55.10 1y2x s ARG 55 Cb -0.14 -2.62 -0.02 0.00 -1.56 0.00 0.00 34.95 30.62 1y2x s ARG 55 CO 0.04 0.67 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.94 1y2x s PHE 56 N -0.81 1.69 -0.06 5.12 0.40 -0.40 -1.62 117.98 122.30 1y2x s PHE 56 Ca 0.12 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1y2x s PHE 56 Cb -0.11 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.35 1y2x s PHE 56 CO 0.02 -0.00 -0.17 0.08 0.70 0.00 0.00 175.22 175.84 1y2x s VAL 57 N -0.52 1.44 -0.56 -0.44 1.01 -0.39 -1.91 120.40 119.03 1y2x s VAL 57 Ca 0.07 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1y2x s VAL 57 Cb -0.08 -1.26 0.14 0.00 0.00 0.00 0.00 36.38 35.18 1y2x s VAL 57 CO -0.00 0.42 0.37 -0.55 0.00 0.00 0.00 175.10 175.34 1y2x s SER 58 N 0.31 5.33 0.32 3.32 0.15 0.11 -0.86 113.70 122.40 1y2x s SER 58 Ca -0.10 -2.53 0.26 0.00 0.70 0.00 0.00 55.95 54.28 1y2x s SER 58 Cb -0.14 -1.87 0.88 0.00 -1.71 0.00 0.00 66.02 63.18 1y2x s SER 58 CO 0.04 -0.45 1.76 0.77 1.20 0.00 0.00 173.24 176.56 1y2x h SER 59 N 7.47 0.00 -0.73 5.45 4.64 -1.79 -0.34 113.55 128.25 1y2x h SER 59 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1y2x h SER 59 Cb 0.99 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 1y2x h SER 59 CO 0.72 0.00 0.47 0.44 -0.87 0.00 0.00 176.83 177.59 1y2x h ASP 60 N 0.00 0.85 0.00 4.97 5.19 -1.93 -3.24 116.42 122.27 1y2x h ASP 60 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1y2x h ASP 60 Cb 0.63 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1y2x h ASP 60 CO 0.00 0.63 0.00 0.35 -3.12 0.00 0.00 179.24 177.10 1y2x n THR 61 N -4.41 0.78 -3.80 0.35 -2.24 -1.12 -5.02 114.28 98.82 1y2x n THR 61 Ca 0.08 -0.84 -0.25 0.00 -2.27 0.00 0.00 64.05 60.77 1y2x n THR 61 Cb 0.04 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.39 -2.07 -4.50 3.42 4.64 -0.27 -5.01 116.55 112.37 1y2x n ASP 62 Ca 0.00 -0.84 -0.30 0.00 -1.38 0.00 0.00 54.79 52.27 1y2x n ASP 62 Cb 0.24 -3.85 -0.11 0.00 -1.04 0.00 0.00 41.12 36.36 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 -6.25 1.97 0.15 -0.67 2.02 -0.44 -5.00 118.70 110.48 1y2x s GLU 63 Ca 0.20 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.96 1y2x s GLU 63 Cb -0.10 -2.19 0.03 0.00 0.10 0.00 0.00 34.13 31.97 1y2x s GLU 63 CO 0.83 0.51 0.42 -1.54 0.02 0.00 0.00 175.26 175.50 1y2x s SER 64 N -1.92 -0.21 0.14 -0.19 1.04 -1.26 0.09 113.70 111.39 1y2x s SER 64 Ca 0.18 -0.43 -0.19 0.00 0.48 0.00 0.00 55.95 55.99 1y2x s SER 64 Cb -0.11 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.56 1y2x s SER 64 CO 0.09 -0.91 0.48 0.72 0.98 0.00 0.00 173.24 174.61 1y2x s PHE 65 N -3.84 -0.34 -0.09 5.02 -0.12 -0.80 -3.89 117.98 113.92 1y2x s PHE 65 Ca 0.06 0.07 0.04 0.00 -0.05 0.00 0.00 56.93 57.05 1y2x s PHE 65 Cb 0.01 0.39 0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1y2x s PHE 65 CO -0.08 -0.77 -0.23 0.08 -0.05 0.00 0.00 175.22 174.18 1y2x s VAL 66 N -3.78 1.93 -0.15 -2.49 1.01 0.33 -1.28 120.40 115.98 1y2x s VAL 66 Ca 0.02 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1y2x s VAL 66 Cb 0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1y2x s VAL 66 CO -0.12 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.41 1y2x s ALA 67 N 0.33 2.70 -0.02 5.51 0.00 -0.17 -1.09 121.76 129.02 1y2x s ALA 67 Ca -0.17 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1y2x s ALA 67 Cb -0.17 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1y2x s ALA 67 CO 0.08 0.11 -0.22 0.99 0.00 0.00 0.00 175.76 176.72 1y2x s THR 68 N 0.57 2.42 -0.01 0.00 2.01 -0.34 -1.12 115.64 119.17 1y2x s THR 68 Ca -0.07 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1y2x s THR 68 Cb -0.15 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1y2x s THR 68 CO 0.03 0.55 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.07 1y2x s PHE 69 N -0.69 0.74 0.03 4.92 0.40 -0.45 -2.08 117.98 120.85 1y2x s PHE 69 Ca 0.11 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.26 1y2x s PHE 69 Cb -0.10 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 42.96 1y2x s PHE 69 CO 0.00 -0.02 0.17 0.41 0.70 0.00 0.00 175.22 176.49 1y2x n GLY 70 N 2.91 1.14 2.98 4.36 0.00 -1.01 -1.34 105.19 114.23 1y2x n GLY 70 Ca -0.14 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.46 1.17 -0.13 1.61 1.01 -1.03 -0.29 120.40 120.27 1y2x s VAL 71 Ca 0.04 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1y2x s VAL 71 Cb -0.00 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1y2x s VAL 71 CO 0.01 0.38 -0.15 -2.28 0.00 0.00 0.00 175.10 173.06 1y2x s HIS 72 N 1.19 2.08 -1.41 5.22 5.04 0.51 0.09 115.29 128.02 1y2x s HIS 72 Ca -0.04 -1.07 -0.04 0.00 -1.54 0.00 0.00 55.06 52.36 1y2x s HIS 72 Cb -0.14 -1.51 0.00 0.00 0.04 0.00 0.00 32.58 30.97 1y2x s HIS 72 CO -0.03 -0.57 0.34 0.09 -2.34 0.00 0.00 174.74 172.23 1y2x n ASN 73 N 4.47 -0.62 -1.02 9.88 3.02 -1.26 -1.73 115.26 127.99 1y2x n ASN 73 Ca -0.18 -1.11 -0.13 0.00 -0.03 0.00 0.00 54.58 53.13 1y2x n ASN 73 Cb 0.51 -2.55 -0.06 0.00 -0.61 0.00 0.00 39.78 37.07 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 -4.49 0.00 -4.69 3.10 4.02 -1.26 -4.99 117.16 108.85 1y2x n TYR 74 Ca -0.28 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.37 1y2x n TYR 74 Cb 0.67 -2.58 -0.15 0.00 -0.02 0.00 0.00 39.34 37.26 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 -3.05 1.29 0.62 -0.72 1.02 -0.71 -4.99 119.74 113.20 1y2x s LYS 75 Ca 0.00 -0.53 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 1y2x s LYS 75 Cb 0.00 -1.22 -0.02 0.00 -0.52 0.00 0.00 37.83 36.07 1y2x s LYS 75 CO 0.00 0.29 1.22 -0.98 -0.92 0.00 0.00 175.35 174.96 1y2x s ARG 76 N -0.22 2.79 0.15 1.68 3.03 -1.26 -0.36 118.95 124.76 1y2x s ARG 76 Ca 0.03 1.84 -0.01 0.00 2.03 0.00 0.00 55.73 59.62 1y2x s ARG 76 Cb -0.07 -1.90 -0.04 0.00 -1.03 0.00 0.00 34.95 31.91 1y2x s ARG 76 CO 0.00 -1.35 0.08 1.67 -1.13 0.00 0.00 175.30 174.57 1y2x s TRP 77 N -1.64 0.96 0.10 5.89 1.48 0.60 -3.89 118.94 122.44 1y2x s TRP 77 Ca 0.78 -1.28 -0.20 0.00 -1.06 0.00 0.00 56.10 54.34 1y2x s TRP 77 Cb -0.31 -0.50 0.05 0.00 -1.16 0.00 0.00 33.47 31.54 1y2x s TRP 77 CO 0.36 -0.56 0.48 0.00 -4.06 0.00 0.00 176.95 173.17 1y2x s ASP 79 N -2.44 -0.60 -0.06 0.00 3.68 -0.88 -4.72 116.67 111.65 1y2x s ASP 79 Ca -0.01 0.25 0.03 0.00 2.13 0.00 0.00 52.55 54.95 1y2x s ASP 79 Cb 0.00 0.57 0.01 0.00 -1.45 0.00 0.00 42.92 42.06 1y2x s ASP 79 CO -0.08 -0.84 -0.13 -0.63 0.13 0.00 0.00 175.17 173.62 1y2x s ILE 80 N -2.82 1.20 -0.13 4.11 1.01 -1.26 -1.20 121.20 122.11 1y2x s ILE 80 Ca -0.03 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.09 1y2x s ILE 80 Cb -0.01 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 1y2x s ILE 80 CO -0.05 0.36 -0.17 -0.69 0.00 0.00 0.00 174.94 174.40 1y2x s VAL 81 N 0.47 2.61 0.00 2.92 1.01 -0.25 -4.98 120.40 122.18 1y2x s VAL 81 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1y2x s VAL 81 Cb -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1y2x s VAL 81 CO 0.03 0.53 0.00 1.07 0.00 0.00 0.00 175.10 176.73 1y2x n THR 82 N 3.76 0.00 -3.70 3.92 5.66 -1.26 -0.51 114.28 122.15 1y2x n THR 82 Ca -0.19 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.60 1y2x n THR 82 Cb 0.52 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.34 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 -1.47 -1.17 -4.74 1.09 3.02 -1.25 -4.92 115.26 105.82 1y2x n ASN 83 Ca 0.00 -0.82 -0.41 0.00 -0.03 0.00 0.00 54.58 53.33 1y2x n ASN 83 Cb 0.00 -4.07 -0.05 0.00 -0.61 0.00 0.00 39.78 35.05 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 -6.67 4.50 0.99 3.41 1.43 -1.26 -5.06 118.68 116.01 1y2x s LEU 84 Ca 0.00 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.68 1y2x s LEU 84 Cb -0.00 -3.47 0.18 0.00 0.03 0.00 0.00 46.19 42.93 1y2x s LEU 84 CO 0.81 -0.01 1.10 0.42 0.23 0.00 0.00 176.35 178.90 1y2x s THR 85 N -0.16 2.04 0.14 5.49 -4.23 -1.26 -4.94 115.64 112.71 1y2x s THR 85 Ca 0.43 0.01 0.32 0.00 -1.18 0.00 0.00 61.69 61.28 1y2x s THR 85 Cb -0.23 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.42 1y2x s THR 85 CO 0.28 -0.02 1.97 0.78 -0.54 0.00 0.00 174.62 177.09 1y2x h ASN 86 N -1.85 0.00 0.41 3.99 -0.26 -2.04 -2.34 115.58 113.50 1y2x h ASN 86 Ca -0.54 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.20 1y2x h ASN 86 Cb 1.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 1y2x h ASN 86 CO 0.58 0.05 -0.11 -0.62 -1.06 0.00 0.00 177.43 176.28 1y2x n GLU 87 N -3.18 0.60 -2.92 0.81 4.71 -1.26 -4.45 120.64 114.96 1y2x n GLU 87 Ca 0.00 -0.19 -0.43 0.00 -0.01 0.00 0.00 57.16 56.54 1y2x n GLU 87 Cb 0.32 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.27 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 -1.03 4.59 -1.61 3.49 6.02 -0.88 -4.84 117.38 123.11 1y2x n GLN 88 Ca 0.14 -4.53 -0.29 0.00 -0.01 0.00 0.00 57.00 52.31 1y2x n GLN 88 Cb 0.28 -2.52 0.14 0.00 1.02 0.00 0.00 30.24 29.16 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 -2.89 1.97 0.36 5.09 -4.23 -1.26 -4.81 115.64 109.87 1y2x s THR 89 Ca 0.33 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.90 1y2x s THR 89 Cb 0.07 -2.80 0.16 0.00 1.34 0.00 0.00 72.50 71.27 1y2x s THR 89 CO 0.07 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 176.05 1y2x h ALA 90 N -1.54 1.44 -0.47 3.99 0.00 -1.95 -0.94 119.26 119.80 1y2x h ALA 90 Ca -0.48 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.30 1y2x h ALA 90 Cb 1.32 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1y2x h ALA 90 CO 0.57 0.39 0.12 1.25 0.00 0.00 0.00 179.25 181.58 1y2x h LEU 91 N 0.36 0.06 0.28 0.00 6.46 -1.95 -0.27 115.31 120.26 1y2x h LEU 91 Ca 0.08 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1y2x h LEU 91 Cb 0.35 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1y2x h LEU 91 CO 0.02 0.07 -0.13 0.58 -0.62 0.00 0.00 178.44 178.35 1y2x h VAL 92 N 0.27 0.76 -0.40 1.05 2.07 -1.73 -3.28 116.25 114.99 1y2x h VAL 92 Ca 0.23 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1y2x h VAL 92 Cb 0.28 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1y2x h VAL 92 CO -0.28 0.11 0.22 0.40 0.02 0.00 0.00 177.57 178.05 1y2x h ILE 93 N -0.68 1.15 -0.80 4.57 1.08 -1.02 -2.76 117.51 119.05 1y2x h ILE 93 Ca -0.04 -0.39 0.13 0.00 -0.39 0.00 0.00 64.86 64.18 1y2x h ILE 93 Cb 0.47 0.68 -0.09 0.00 -3.07 0.00 0.00 36.82 34.82 1y2x h ILE 93 CO 0.06 0.16 0.38 -1.13 -0.69 0.00 0.00 178.15 176.93 1y2x h ASN 94 N 0.51 0.45 0.39 1.72 -0.00 -1.17 -2.06 115.58 115.42 1y2x h ASN 94 Ca 0.14 0.09 -0.14 0.00 -0.00 0.00 0.00 56.30 56.40 1y2x h ASN 94 Cb 0.06 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.39 1y2x h ASN 94 CO -0.02 0.20 -0.57 -0.61 -0.00 0.00 0.00 177.43 176.43 1y2x h GLN 95 N 0.57 0.19 0.00 6.67 4.15 -1.55 -3.06 115.11 122.08 1y2x h GLN 95 Ca 0.43 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.72 1y2x h GLN 95 Cb 0.59 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1y2x h GLN 95 CO -0.36 0.71 -0.00 0.93 -1.93 0.00 0.00 178.83 178.18 1y2x h GLU 96 N 0.15 0.00 0.00 1.69 5.08 -1.15 -1.86 114.58 118.48 1y2x h GLU 96 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y2x h GLU 96 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1y2x h GLU 96 CO 0.09 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.76 1y2x n TYR 97 N -3.10 0.00 -2.68 4.33 4.02 -1.16 -1.52 117.16 117.05 1y2x n TYR 97 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.72 1y2x n TYR 97 Cb 0.09 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.43 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 -0.86 1.62 0.00 -0.72 4.02 -0.70 -4.36 117.16 116.16 1y2x n TYR 98 Ca 0.11 -2.99 0.00 0.00 -0.01 0.00 0.00 57.90 55.01 1y2x n TYR 98 Cb 0.05 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 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 -0.12 1.34 3.62 2.72 0.00 -1.23 -5.11 105.19 106.42 1y2x n GLY 99 Ca 0.17 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 4.75 0.24 1.61 1.01 -0.58 -4.97 120.40 122.45 1y2x s VAL 100 Ca 0.00 1.36 -0.08 0.00 0.00 0.00 0.00 61.98 63.26 1y2x s VAL 100 Cb 0.00 -4.19 0.26 0.00 0.00 0.00 0.00 36.38 32.44 1y2x s VAL 100 CO 0.00 -0.26 1.64 -0.65 0.00 0.00 0.00 175.10 175.83 1y2x h PRO 101 N 8.03 0.11 -0.17 2.72 0.11 -1.99 0.23 132.00 141.05 1y2x h PRO 101 Ca -0.23 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 1y2x h PRO 101 Cb 1.09 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1y2x h PRO 101 CO 0.91 0.07 -0.46 -0.84 -0.21 0.00 0.00 178.00 177.47 1y2x h ILE 102 N 0.12 1.32 -0.19 4.15 3.07 -1.94 -0.33 117.51 123.71 1y2x h ILE 102 Ca 0.39 -1.67 -0.04 0.00 1.55 0.00 0.00 64.86 65.10 1y2x h ILE 102 Cb 0.67 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 38.91 1y2x h ILE 102 CO -0.62 0.51 -0.02 0.03 -1.05 0.00 0.00 178.15 177.00 1y2x h ARG 103 N 0.36 0.35 -0.54 0.16 2.47 -1.61 -1.93 114.38 113.63 1y2x h ARG 103 Ca 0.02 -0.12 0.11 0.00 -1.26 0.00 0.00 59.98 58.73 1y2x h ARG 103 Cb 0.95 -0.03 -0.09 0.00 -1.65 0.00 0.00 29.97 29.16 1y2x h ARG 103 CO 0.08 0.58 0.00 -0.44 0.56 0.00 0.00 179.97 180.75 1y2x h ASP 104 N 0.09 -0.23 -0.44 7.04 3.32 -0.39 -1.76 116.42 124.05 1y2x h ASP 104 Ca 0.05 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1y2x h ASP 104 Cb 0.44 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1y2x h ASP 104 CO 0.01 -0.08 0.28 -0.61 -1.72 0.00 0.00 179.24 177.12 1y2x h GLN 105 N 0.12 0.55 -0.72 3.56 5.75 -0.93 0.31 115.11 123.76 1y2x h GLN 105 Ca 0.28 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.80 1y2x h GLN 105 Cb 0.42 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.79 1y2x h GLN 105 CO -0.45 0.37 0.42 0.00 -2.65 0.00 0.00 178.83 176.52 1y2x h ALA 106 N 1.17 0.97 -0.28 3.38 0.00 -0.78 -1.17 119.26 122.56 1y2x h ALA 106 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1y2x h ALA 106 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1y2x h ALA 106 CO -0.05 0.14 0.13 -0.09 0.00 0.00 0.00 179.25 179.38 1y2x h ARG 107 N 0.79 0.40 0.00 0.00 2.43 -0.87 -2.92 114.38 114.20 1y2x h ARG 107 Ca 0.31 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1y2x h ARG 107 Cb 0.15 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1y2x h ARG 107 CO -0.17 0.38 -0.02 0.93 -1.51 0.00 0.00 179.97 179.59 1y2x h GLU 108 N 0.31 0.00 0.00 0.20 5.08 -0.33 -2.24 114.58 117.61 1y2x h GLU 108 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1y2x h GLU 108 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1y2x h GLU 108 CO -0.01 0.02 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.08 1y2x h ASN 109 N 0.00 0.00 -6.37 1.42 2.35 -1.03 -3.47 115.58 108.48 1y2x h ASN 109 Ca -0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 1y2x h ASN 109 Cb 0.14 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 1y2x h ASN 109 CO 0.00 0.03 -0.82 0.00 -1.65 0.00 0.00 177.43 174.99 1y2x n GLN 110 N -3.15 -4.39 -2.43 0.81 6.02 -0.84 -4.89 117.38 108.51 1y2x n GLN 110 Ca 0.00 0.51 -0.39 0.00 -0.01 0.00 0.00 57.00 57.12 1y2x n GLN 110 Cb 0.30 -5.09 -0.03 0.00 1.02 0.00 0.00 30.24 26.44 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 -7.04 4.32 0.13 1.08 1.43 -1.25 -4.68 118.68 112.66 1y2x s LEU 111 Ca 0.33 2.24 0.24 0.00 -1.03 0.00 0.00 54.13 55.91 1y2x s LEU 111 Cb -0.17 -3.91 0.40 0.00 0.03 0.00 0.00 46.19 42.54 1y2x s LEU 111 CO 0.86 -0.41 1.37 0.35 0.23 0.00 0.00 176.35 178.75 1y2x n THR 112 N 0.48 0.38 -3.65 5.49 -2.24 -1.26 -3.93 114.28 109.55 1y2x n THR 112 Ca 0.02 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1y2x n THR 112 Cb 0.47 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 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 -4.25 -0.53 -0.11 3.42 1.04 -1.26 -0.90 113.70 111.11 1y2x s SER 113 Ca 0.07 0.80 -0.12 0.00 0.48 0.00 0.00 55.95 57.18 1y2x s SER 113 Cb 0.13 0.80 0.03 0.00 0.10 0.00 0.00 66.02 67.09 1y2x s SER 113 CO 0.71 -0.37 0.33 -0.47 0.98 0.00 0.00 173.24 174.41 1y2x s TYR 114 N -0.48 -0.33 0.00 5.02 5.04 0.02 -5.00 117.35 121.62 1y2x s TYR 114 Ca -0.06 0.79 -0.05 0.00 -2.44 0.00 0.00 57.07 55.31 1y2x s TYR 114 Cb -0.03 0.12 -0.00 0.00 0.35 0.00 0.00 41.96 42.40 1y2x s TYR 114 CO 0.04 -0.21 0.08 0.54 -1.34 0.00 0.00 175.55 174.66 1y2x s ASN 115 N -0.08 0.07 -0.05 4.32 2.20 -1.26 -0.09 114.94 120.05 1y2x s ASN 115 Ca -0.02 -0.25 -0.22 0.00 -0.94 0.00 0.00 52.86 51.43 1y2x s ASN 115 Cb -0.03 0.18 0.05 0.00 -2.00 0.00 0.00 41.25 39.44 1y2x s ASN 115 CO 0.01 -0.31 0.50 0.54 -2.94 0.00 0.00 177.10 174.90 1y2x s VAL 116 N -1.24 0.03 -0.04 3.54 0.11 -0.61 -4.99 120.40 117.20 1y2x s VAL 116 Ca -0.13 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1y2x s VAL 116 Cb -0.08 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 1y2x s VAL 116 CO 0.01 -0.11 0.04 0.00 -3.33 0.00 0.00 175.10 171.70 1y2x s ALA 117 N -1.05 3.44 0.84 1.54 0.00 -1.26 -1.07 121.76 124.20 1y2x s ALA 117 Ca -0.11 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 1y2x s ALA 117 Cb -0.03 -1.52 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1y2x s ALA 117 CO 0.06 0.64 0.62 0.27 0.00 0.00 0.00 175.76 177.35 1y2x n ASN 118 N 1.61 0.29 0.15 0.00 0.23 -0.35 -4.90 115.26 112.28 1y2x n ASN 118 Ca -0.16 -1.37 0.15 0.00 -0.53 0.00 0.00 54.58 52.67 1y2x n ASN 118 Cb 0.53 -0.45 0.70 0.00 -2.08 0.00 0.00 39.78 38.48 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 -1.38 2.15 -0.31 -2.53 0.00 -1.96 -1.49 119.26 113.73 1y2x h ALA 119 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1y2x h ALA 119 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1y2x h ALA 119 CO 0.17 -0.32 0.00 1.63 0.00 0.00 0.00 179.25 180.73 1y2x n LYS 120 N -4.32 2.18 -0.74 0.00 5.02 -1.26 -4.94 118.16 114.10 1y2x n LYS 120 Ca 0.03 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1y2x n LYS 120 Cb 0.34 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.35 0.73 3.73 0.72 0.00 -0.56 -5.03 105.19 106.12 1y2x n GLY 121 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.26 4.56 -0.08 1.61 3.52 -1.26 -4.77 118.95 122.27 1y2x s ARG 122 Ca 0.00 1.68 -0.14 0.00 -0.13 0.00 0.00 55.73 57.14 1y2x s ARG 122 Cb 0.00 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 1y2x s ARG 122 CO 0.00 -0.01 0.34 0.50 -0.81 0.00 0.00 175.30 175.32 1y2x s ARG 123 N 0.17 3.99 0.03 5.12 3.52 -1.26 -1.22 118.95 129.31 1y2x s ARG 123 Ca 0.52 0.25 0.09 0.00 -0.13 0.00 0.00 55.73 56.45 1y2x s ARG 123 Cb -0.28 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 1y2x s ARG 123 CO 0.32 0.51 -0.25 -0.06 -0.81 0.00 0.00 175.30 175.01 1y2x s PHE 124 N -0.43 2.36 -0.00 5.12 0.40 -0.23 -0.10 117.98 125.09 1y2x s PHE 124 Ca 0.21 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1y2x s PHE 124 Cb -0.15 -1.43 -0.00 0.00 0.51 0.00 0.00 43.02 41.95 1y2x s PHE 124 CO 0.09 0.11 0.03 0.00 0.70 0.00 0.00 175.22 176.15 1y2x s ALA 125 N -0.78 -0.06 -0.12 5.36 0.00 0.65 -1.57 121.76 125.24 1y2x s ALA 125 Ca 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1y2x s ALA 125 Cb -0.10 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1y2x s ALA 125 CO 0.02 -0.07 -0.20 0.42 0.00 0.00 0.00 175.76 175.92 1y2x s ILE 126 N -0.50 2.34 -0.18 0.00 1.01 0.87 -0.03 121.20 124.72 1y2x s ILE 126 Ca -0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 1y2x s ILE 126 Cb -0.04 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.55 1y2x s ILE 126 CO -0.00 0.54 0.02 -1.61 0.00 0.00 0.00 174.94 173.90 1y2x s GLU 127 N 0.51 0.74 0.06 2.79 2.02 -0.37 -0.80 118.70 123.65 1y2x s GLU 127 Ca -0.13 -0.40 -0.31 0.00 0.02 0.00 0.00 54.97 54.15 1y2x s GLU 127 Cb -0.17 -2.01 -0.06 0.00 0.10 0.00 0.00 34.13 31.99 1y2x s GLU 127 CO 0.05 -0.59 1.33 0.71 0.02 0.00 0.00 175.26 176.78 1y2x s TYR 128 N 1.83 3.18 -0.12 1.61 1.51 -0.08 0.00 117.35 125.29 1y2x s TYR 128 Ca -0.00 1.02 0.19 0.00 -1.01 0.00 0.00 57.07 57.27 1y2x s TYR 128 Cb -0.17 -3.59 -0.22 0.00 -0.11 0.00 0.00 41.96 37.87 1y2x s TYR 128 CO -0.08 -2.05 0.54 0.25 -1.11 0.00 0.00 175.55 173.11 1y2x n THR 129 N 4.18 0.77 -4.07 -0.71 -2.24 0.25 -4.72 114.28 107.74 1y2x n THR 129 Ca 0.11 -0.65 -0.32 0.00 -2.27 0.00 0.00 64.05 60.92 1y2x n THR 129 Cb 0.44 -0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.14 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 -3.07 2.13 -1.64 2.28 1.01 -1.07 -4.96 120.40 115.08 1y2x s VAL 130 Ca -0.06 -1.51 0.21 0.00 0.00 0.00 0.00 61.98 60.63 1y2x s VAL 130 Cb 0.10 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 1y2x s VAL 130 CO 0.85 0.06 1.00 0.35 0.00 0.00 0.00 175.10 177.36 1y2x n THR 131 N 4.47 0.00 -4.10 3.92 -2.24 -1.26 -2.95 114.28 112.12 1y2x n THR 131 Ca -0.15 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 1y2x n THR 131 Cb 0.43 1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 1y2x n THR 131 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1y2x s GLU 132 N -2.58 0.63 0.29 -0.78 2.56 -1.26 -4.70 118.70 112.86 1y2x s GLU 132 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 54.97 54.23 1y2x s GLU 132 Cb 0.17 -0.37 0.00 0.00 2.00 0.00 0.00 34.13 35.92 1y2x s GLU 132 CO 0.65 0.06 0.00 0.41 -0.56 0.00 0.00 175.26 175.82 1y2x n GLY 133 N 1.18 -1.79 0.07 -1.50 0.00 -1.26 -4.65 105.19 97.25 1y2x n GLY 133 Ca -0.21 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.97 1.61 3.45 -1.94 -3.42 116.42 112.15 1y2x h ASP 134 Ca 0.00 0.00 -0.70 0.00 0.43 0.00 0.00 57.03 56.76 1y2x h ASP 134 Cb 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 38.42 1y2x h ASP 134 CO 0.00 0.95 -0.39 0.20 -1.57 0.00 0.00 179.24 178.42 1y2x s ASN 135 N -6.45 5.29 0.24 6.45 0.01 -1.26 -1.53 114.94 117.68 1y2x s ASN 135 Ca -0.01 -2.65 -0.10 0.00 -0.71 0.00 0.00 52.86 49.40 1y2x s ASN 135 Cb 0.09 -1.86 -0.07 0.00 0.41 0.00 0.00 41.25 39.82 1y2x s ASN 135 CO 0.82 -0.42 0.56 -0.76 -1.51 0.00 0.00 177.10 175.78 1y2x s LEU 136 N 0.24 4.16 -0.02 0.60 1.43 0.41 -4.94 118.68 120.56 1y2x s LEU 136 Ca 0.15 0.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 1y2x s LEU 136 Cb -0.21 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.31 1y2x s LEU 136 CO -0.04 -0.08 -0.14 -0.54 0.23 0.00 0.00 176.35 175.78 1y2x s LYS 137 N -2.86 1.19 0.01 1.70 1.02 -1.15 -1.04 119.74 118.61 1y2x s LYS 137 Ca 0.47 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 1y2x s LYS 137 Cb -0.11 -1.13 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 1y2x s LYS 137 CO 0.22 0.28 -0.01 0.00 -0.92 0.00 0.00 175.35 174.92 1y2x s ALA 138 N -0.25 0.06 -0.08 5.17 0.00 -0.19 -0.58 121.76 125.89 1y2x s ALA 138 Ca 0.04 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.42 1y2x s ALA 138 Cb -0.06 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1y2x s ALA 138 CO -0.00 -0.14 0.29 -0.80 0.00 0.00 0.00 175.76 175.11 1y2x s ASN 139 N -1.23 6.58 -0.28 0.00 0.02 0.10 -1.41 114.94 118.72 1y2x s ASN 139 Ca -0.13 0.69 -0.05 0.00 -1.02 0.00 0.00 52.86 52.34 1y2x s ASN 139 Cb -0.08 -2.17 0.01 0.00 0.02 0.00 0.00 41.25 39.03 1y2x s ASN 139 CO -0.01 0.30 0.03 -0.22 0.02 0.00 0.00 177.10 177.22 1y2x s LEU 140 N -0.68 3.62 -0.23 0.60 2.96 0.87 -1.24 118.68 124.58 1y2x s LEU 140 Ca 0.19 -0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1y2x s LEU 140 Cb -0.14 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.76 1y2x s LEU 140 CO 0.08 -0.17 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.24 1y2x s ILE 141 N 1.44 2.91 -0.33 6.68 1.01 0.96 -0.00 121.20 133.87 1y2x s ILE 141 Ca 0.02 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1y2x s ILE 141 Cb -0.17 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1y2x s ILE 141 CO 0.00 0.32 0.22 -0.63 0.00 0.00 0.00 174.94 174.85 1y2x s ILE 142 N 1.37 5.25 -2.16 2.92 1.01 0.43 -0.26 121.20 129.76 1y2x s ILE 142 Ca 0.03 -0.14 0.31 0.00 0.00 0.00 0.00 60.65 60.84 1y2x s ILE 142 Cb -0.15 -3.65 0.79 0.00 0.01 0.00 0.00 42.46 39.46 1y2x s ILE 142 CO -0.05 0.05 2.07 0.61 0.00 0.00 0.00 174.94 177.62