#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 2.70 0.10 -1.42 1.51 -0.13 -4.82 117.35 115.28 1y2x s TYR 3 Ca 0.00 -0.16 0.10 0.00 -1.01 0.00 0.00 57.07 56.00 1y2x s TYR 3 Cb 0.00 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 1y2x s TYR 3 CO 0.00 0.22 -0.26 0.95 -1.11 0.00 0.00 175.55 175.36 1y2x s THR 4 N -0.80 2.12 -0.19 -0.71 -4.23 0.11 -0.47 115.64 111.47 1y2x s THR 4 Ca 0.13 -1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1y2x s THR 4 Cb -0.11 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1y2x s THR 4 CO 0.02 0.16 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.59 1y2x s ILE 5 N -0.98 1.13 -0.20 2.99 1.01 0.09 -0.26 121.20 124.98 1y2x s ILE 5 Ca 0.12 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 1y2x s ILE 5 Cb -0.10 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 1y2x s ILE 5 CO 0.04 0.02 0.28 -0.44 0.00 0.00 0.00 174.94 174.85 1y2x s SER 6 N 1.60 6.33 -0.15 3.58 0.01 0.02 -0.93 113.70 124.17 1y2x s SER 6 Ca -0.01 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1y2x s SER 6 Cb -0.16 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1y2x s SER 6 CO -0.07 0.04 -0.21 -0.63 0.41 0.00 0.00 173.24 172.78 1y2x s ILE 7 N 0.89 2.04 -0.23 1.44 1.01 0.15 -0.71 121.20 125.78 1y2x s ILE 7 Ca 0.14 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1y2x s ILE 7 Cb -0.13 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1y2x s ILE 7 CO 0.05 0.54 0.15 -0.13 0.00 0.00 0.00 174.94 175.55 1y2x s ARG 8 N 1.00 4.06 -0.22 2.79 0.52 -0.27 -1.56 118.95 125.26 1y2x s ARG 8 Ca -0.03 -0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 54.78 1y2x s ARG 8 Cb -0.15 -3.50 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 1y2x s ARG 8 CO -0.06 0.09 0.26 0.08 0.02 0.00 0.00 175.30 175.68 1y2x s VAL 9 N 0.97 5.30 -0.29 3.52 1.01 -1.26 -0.22 120.40 129.43 1y2x s VAL 9 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1y2x s VAL 9 Cb -0.13 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1y2x s VAL 9 CO 0.04 0.31 -0.04 -0.31 0.00 0.00 0.00 175.10 175.10 1y2x s TYR 10 N 1.12 3.29 -0.54 5.22 1.51 0.53 -4.96 117.35 123.51 1y2x s TYR 10 Ca 0.12 -2.10 -0.17 0.00 -1.01 0.00 0.00 57.07 53.91 1y2x s TYR 10 Cb -0.14 -2.09 0.10 0.00 -0.11 0.00 0.00 41.96 39.72 1y2x s TYR 10 CO 0.06 -0.84 0.57 -1.14 -1.11 0.00 0.00 175.55 173.08 1y2x s GLN 11 N 1.18 3.03 0.23 -0.62 0.74 -1.26 -0.50 119.66 122.45 1y2x s GLN 11 Ca -0.06 -1.37 0.14 0.00 0.05 0.00 0.00 55.36 54.12 1y2x s GLN 11 Cb -0.20 -4.22 -0.00 0.00 1.10 0.00 0.00 33.01 29.69 1y2x s GLN 11 CO -0.03 -1.33 1.33 1.79 -0.55 0.00 0.00 175.29 176.51 1y2x h THR 12 N 5.87 0.92 -3.10 -0.34 1.35 -1.60 -3.45 112.91 112.57 1y2x h THR 12 Ca -0.29 -2.35 -0.66 0.00 -0.55 0.00 0.00 66.41 62.56 1y2x h THR 12 Cb 1.10 2.43 -0.35 0.00 -1.73 0.00 0.00 68.15 69.59 1y2x h THR 12 CO 1.02 0.53 -0.86 -0.89 -0.25 0.00 0.00 175.52 175.07 1y2x s THR 13 N -2.92 1.99 0.00 6.82 2.01 -1.26 -5.00 115.64 117.28 1y2x s THR 13 Ca 0.03 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1y2x s THR 13 Cb 0.08 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.80 1y2x s THR 13 CO 0.76 0.53 0.47 -0.81 -0.69 0.00 0.00 174.62 174.88 1y2x n PRO 14 N 4.53 0.37 -4.04 4.92 -0.04 -1.26 -4.62 135.00 134.86 1y2x n PRO 14 Ca -0.20 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 1y2x n PRO 14 Cb 0.50 -1.31 -0.15 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.79 2.98 0.19 0.54 -0.14 -1.26 -5.00 119.74 117.83 1y2x s LYS 15 Ca 0.00 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 1y2x s LYS 15 Cb 0.00 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 1y2x s LYS 15 CO 0.00 -0.27 0.00 0.41 -0.76 0.00 0.00 175.35 174.73 1y2x n GLY 16 N 4.65 -2.45 2.68 -3.33 0.00 -1.26 -4.97 105.19 100.51 1y2x n GLY 16 Ca -0.19 -1.34 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.81 0.05 -0.19 1.61 5.36 -1.26 -5.03 117.98 115.71 1y2x s PHE 17 Ca 0.00 0.17 -0.19 0.00 -0.96 0.00 0.00 56.93 55.95 1y2x s PHE 17 Cb 0.00 -0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 42.15 1y2x s PHE 17 CO 0.00 -0.29 0.54 -0.06 -1.46 0.00 0.00 175.22 173.95 1y2x s PHE 18 N 2.18 3.39 0.13 10.12 0.40 -1.26 -3.97 117.98 128.98 1y2x s PHE 18 Ca 0.04 0.83 0.09 0.00 -0.60 0.00 0.00 56.93 57.28 1y2x s PHE 18 Cb -0.13 -2.68 -0.04 0.00 0.51 0.00 0.00 43.02 40.67 1y2x s PHE 18 CO -0.05 -0.08 -0.16 -0.98 0.70 0.00 0.00 175.22 174.65 1y2x s ARG 19 N 1.56 1.86 0.11 0.44 1.70 -0.39 -4.87 118.95 119.35 1y2x s ARG 19 Ca 0.25 -1.18 -0.30 0.00 -0.47 0.00 0.00 55.73 54.03 1y2x s ARG 19 Cb -0.16 -2.14 -0.06 0.00 -0.57 0.00 0.00 34.95 32.03 1y2x s ARG 19 CO 0.10 0.47 1.10 -1.25 -1.08 0.00 0.00 175.30 174.64 1y2x s PRO 20 N -2.27 4.55 0.00 3.89 0.04 -1.26 -1.26 135.00 138.69 1y2x s PRO 20 Ca 0.20 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1y2x s PRO 20 Cb -0.10 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1y2x s PRO 20 CO 0.11 -0.04 0.00 1.33 0.04 0.00 0.00 177.00 178.45 1y2x n VAL 21 N 3.13 0.00 -3.62 -0.36 0.24 -0.79 -4.95 118.33 111.98 1y2x n VAL 21 Ca 0.05 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1y2x n VAL 21 Cb 0.47 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.61 0.58 -0.11 7.34 2.12 -1.24 -5.00 118.70 121.79 1y2x s GLU 22 Ca 0.00 0.52 -0.05 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 -0.11 0.15 0.25 4.30 1.70 -1.26 -1.91 118.95 122.07 1y2x s ARG 23 Ca 0.01 0.58 0.10 0.00 -0.47 0.00 0.00 55.73 55.95 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 -0.22 -0.17 0.95 -1.08 0.00 0.00 175.30 174.75 1y2x s THR 24 N 1.75 2.13 -0.09 4.99 -4.23 -0.50 -4.98 115.64 114.71 1y2x s THR 24 Ca -0.04 -2.31 0.02 0.00 -1.18 0.00 0.00 61.69 58.17 1y2x s THR 24 Cb -0.11 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.53 1y2x s THR 24 CO -0.08 -0.47 -0.13 0.20 -0.54 0.00 0.00 174.62 173.61 1y2x s ASN 25 N -3.43 2.11 0.57 3.99 0.01 -1.26 -2.52 114.94 114.40 1y2x s ASN 25 Ca 0.27 -0.35 -0.16 0.00 -0.71 0.00 0.00 52.86 51.91 1y2x s ASN 25 Cb -0.03 -0.93 -0.05 0.00 0.41 0.00 0.00 41.25 40.65 1y2x s ASN 25 CO 0.12 0.00 1.03 0.86 -1.51 0.00 0.00 177.10 177.60 1y2x s TRP 26 N 0.97 3.18 -0.46 2.20 -0.11 -0.49 -4.92 118.94 119.31 1y2x s TRP 26 Ca -0.08 1.49 0.24 0.00 1.22 0.00 0.00 56.10 58.96 1y2x s TRP 26 Cb -0.15 -2.92 0.31 0.00 -1.50 0.00 0.00 33.47 29.21 1y2x s TRP 26 CO -0.00 -0.83 1.40 1.57 -4.62 0.00 0.00 176.95 174.47 1y2x h LYS 27 N 0.57 0.00 -7.28 5.86 2.10 -1.95 -3.38 116.57 112.49 1y2x h LYS 27 Ca -0.47 0.00 -0.47 0.00 -2.00 0.00 0.00 60.65 57.72 1y2x h LYS 27 Cb 1.21 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.71 1y2x h LYS 27 CO 0.59 0.00 0.17 0.71 -2.00 0.00 0.00 179.45 178.92 1y2x s TYR 28 N -3.23 1.91 -1.56 0.07 4.12 -1.26 -3.08 117.35 114.31 1y2x s TYR 28 Ca 0.05 1.25 -0.10 0.00 0.02 0.00 0.00 57.07 58.29 1y2x s TYR 28 Cb 0.09 -3.18 0.08 0.00 -1.52 0.00 0.00 41.96 37.43 1y2x s TYR 28 CO 0.71 -2.98 0.62 0.00 0.02 0.00 0.00 175.55 173.92 1y2x n ALA 29 N -4.29 -1.60 -1.36 3.71 0.00 -1.26 -0.46 120.51 115.25 1y2x n ALA 29 Ca 0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1y2x n ALA 29 Cb 0.55 -2.64 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 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 -2.81 -4.60 0.00 0.00 3.02 -1.26 -2.86 115.26 106.75 1y2x n ASN 30 Ca -0.10 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1y2x n ASN 30 Cb 0.58 -3.20 0.00 0.00 -0.61 0.00 0.00 39.78 36.56 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 -1.33 0.38 3.95 7.41 0.00 0.40 -4.57 105.19 111.43 1y2x n GLY 31 Ca -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1y2x n GLY 31 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y2x s GLY 32 N -1.72 -0.03 0.07 -0.02 0.00 -1.26 -2.08 107.32 102.27 1y2x s GLY 32 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.62 1y2x s GLY 32 CO 0.00 4.39 -0.05 -0.51 0.00 0.00 0.00 173.10 176.93 1y2x s THR 33 N -2.07 0.46 -0.11 0.90 -4.23 0.04 -4.87 115.64 105.75 1y2x s THR 33 Ca 0.26 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1y2x s THR 33 Cb -0.01 -1.57 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1y2x s THR 33 CO 0.02 -0.92 -0.05 0.26 -0.54 0.00 0.00 174.62 173.38 1y2x s TRP 34 N -3.71 2.99 0.07 3.99 0.52 -1.26 -1.09 118.94 120.46 1y2x s TRP 34 Ca 0.09 -0.15 0.06 0.00 0.02 0.00 0.00 56.10 56.12 1y2x s TRP 34 Cb 0.06 -1.84 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1y2x s TRP 34 CO -0.07 0.15 -0.17 -0.51 0.02 0.00 0.00 176.95 176.37 1y2x s ASP 35 N -0.21 2.01 -0.28 2.95 1.01 0.10 -4.99 116.67 117.25 1y2x s ASP 35 Ca 0.03 -0.61 -0.17 0.00 0.71 0.00 0.00 52.55 52.51 1y2x s ASP 35 Cb -0.13 -0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.68 1y2x s ASP 35 CO 0.02 0.00 0.49 -1.61 0.21 0.00 0.00 175.17 174.28 1y2x s GLU 36 N -1.66 3.96 -0.19 8.23 2.02 -1.26 -0.52 118.70 129.28 1y2x s GLU 36 Ca 0.02 0.16 -0.02 0.00 0.02 0.00 0.00 54.97 55.14 1y2x s GLU 36 Cb -0.10 -3.69 0.06 0.00 0.10 0.00 0.00 34.13 30.50 1y2x s GLU 36 CO 0.03 -0.40 0.01 0.08 0.02 0.00 0.00 175.26 175.00 1y2x s VAL 37 N 2.28 0.70 -1.50 2.63 1.01 0.44 -4.84 120.40 121.13 1y2x s VAL 37 Ca 0.19 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1y2x s VAL 37 Cb -0.16 -1.13 0.07 0.00 0.00 0.00 0.00 36.38 35.16 1y2x s VAL 37 CO 0.10 -0.14 0.78 0.54 0.00 0.00 0.00 175.10 176.38 1y2x n ARG 38 N 4.99 -4.53 -1.05 2.72 1.74 -1.26 -0.90 116.66 118.36 1y2x n ARG 38 Ca -0.09 0.52 -0.02 0.00 -0.77 0.00 0.00 57.85 57.49 1y2x n ARG 38 Cb 0.47 -5.17 -0.01 0.00 -1.02 0.00 0.00 32.46 26.73 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 -1.67 0.53 3.40 -0.13 0.00 -1.26 -5.03 105.19 101.03 1y2x n GLY 39 Ca -0.09 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.28 1.47 -0.27 1.61 2.02 -0.08 -4.81 118.70 117.37 1y2x s GLU 40 Ca 0.00 -1.54 -0.17 0.00 0.02 0.00 0.00 54.97 53.28 1y2x s GLU 40 Cb 0.00 -1.67 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 1y2x s GLU 40 CO 0.00 0.35 0.48 0.71 0.02 0.00 0.00 175.26 176.82 1y2x s TYR 41 N -1.95 3.26 -0.25 1.61 1.51 -0.60 -0.42 117.35 120.51 1y2x s TYR 41 Ca 0.21 0.56 -0.04 0.00 -1.01 0.00 0.00 57.07 56.79 1y2x s TYR 41 Cb -0.07 -2.70 0.01 0.00 -0.11 0.00 0.00 41.96 39.09 1y2x s TYR 41 CO 0.10 -0.29 -0.02 0.08 -1.11 0.00 0.00 175.55 174.31 1y2x s VAL 42 N 2.26 3.36 -0.24 0.71 1.01 0.32 0.30 120.40 128.12 1y2x s VAL 42 Ca 0.20 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1y2x s VAL 42 Cb -0.16 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1y2x s VAL 42 CO 0.10 0.28 0.34 -0.22 0.00 0.00 0.00 175.10 175.59 1y2x s LEU 43 N 1.44 4.09 -0.10 3.92 2.96 -0.10 -0.72 118.68 130.16 1y2x s LEU 43 Ca 0.03 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1y2x s LEU 43 Cb -0.16 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 1y2x s LEU 43 CO -0.02 -0.10 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.95 1y2x s THR 44 N 1.63 3.68 0.00 3.68 2.01 -0.25 -0.73 115.64 125.66 1y2x s THR 44 Ca 0.15 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1y2x s THR 44 Cb -0.15 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1y2x s THR 44 CO 0.08 0.55 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.46 1y2x s MET 45 N -0.27 0.52 0.53 4.92 -1.94 0.38 -0.78 119.30 122.66 1y2x s MET 45 Ca 0.04 -0.32 0.28 0.00 -1.71 0.00 0.00 55.69 53.98 1y2x s MET 45 Cb -0.13 -0.47 1.47 0.00 2.01 0.00 0.00 34.83 37.71 1y2x s MET 45 CO 0.02 0.12 2.08 0.78 -0.01 0.00 0.00 175.02 178.01 1y2x h GLY 46 N 5.74 0.00 -0.54 -0.03 0.00 -1.41 -0.33 103.07 106.50 1y2x h GLY 46 Ca -0.30 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.13 1y2x h GLY 46 CO 0.48 0.00 0.26 0.61 0.00 0.00 0.00 176.54 177.89 1y2x n GLY 47 N -0.67 0.65 3.74 4.60 0.00 -1.14 -3.54 105.19 108.84 1y2x n GLY 47 Ca -0.02 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.86 7.07 0.00 1.61 0.15 -1.26 -4.25 113.70 115.16 1y2x s SER 48 Ca 0.09 2.30 0.00 0.00 0.70 0.00 0.00 55.95 59.04 1y2x s SER 48 Cb -0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1y2x s SER 48 CO 0.00 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1y2x n GLY 49 N 1.89 1.57 0.00 9.45 0.00 0.11 -4.76 105.19 113.46 1y2x n GLY 49 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.25 0.00 -3.77 2.61 5.66 -1.20 -4.62 114.28 112.70 1y2x n THR 50 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1y2x n THR 50 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 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 -0.90 -0.13 0.03 1.09 1.04 -1.26 -2.14 113.70 111.42 1y2x s SER 51 Ca 0.00 -0.45 -0.07 0.00 0.48 0.00 0.00 55.95 55.90 1y2x s SER 51 Cb 0.00 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 1y2x s SER 51 CO 0.00 -0.89 0.14 -0.83 0.98 0.00 0.00 173.24 172.64 1y2x s GLY 52 N -3.04 0.08 0.05 7.32 0.00 0.15 -1.40 107.32 110.48 1y2x s GLY 52 Ca 0.14 -0.31 0.08 0.00 0.00 0.00 0.00 44.72 44.64 1y2x s GLY 52 CO 0.03 -0.46 -0.23 -0.56 0.00 0.00 0.00 173.10 171.87 1y2x s SER 53 N -1.85 2.80 -0.02 1.64 0.01 -1.05 -1.03 113.70 114.21 1y2x s SER 53 Ca -0.09 -0.57 0.07 0.00 1.31 0.00 0.00 55.95 56.67 1y2x s SER 53 Cb -0.03 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.93 1y2x s SER 53 CO -0.02 0.20 -0.21 -0.76 0.41 0.00 0.00 173.24 172.85 1y2x s LEU 54 N -1.28 2.35 -0.07 2.44 1.43 0.14 -1.41 118.68 122.28 1y2x s LEU 54 Ca 0.09 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1y2x s LEU 54 Cb -0.09 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1y2x s LEU 54 CO 0.02 0.32 -0.17 -0.60 0.23 0.00 0.00 176.35 176.15 1y2x s ARG 55 N -0.81 2.69 -0.01 1.70 3.52 -0.80 0.02 118.95 125.26 1y2x s ARG 55 Ca 0.11 -0.75 0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1y2x s ARG 55 Cb -0.10 -2.37 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1y2x s ARG 55 CO 0.00 0.48 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.72 1y2x s PHE 56 N -0.36 1.72 -0.05 5.12 0.40 -0.51 -1.88 117.98 122.42 1y2x s PHE 56 Ca 0.03 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1y2x s PHE 56 Cb -0.12 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.31 1y2x s PHE 56 CO 0.02 -0.01 -0.14 0.08 0.70 0.00 0.00 175.22 175.86 1y2x s VAL 57 N -0.50 1.23 -0.49 -0.44 1.01 -0.39 -1.69 120.40 119.15 1y2x s VAL 57 Ca 0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1y2x s VAL 57 Cb -0.08 -1.08 0.13 0.00 0.00 0.00 0.00 36.38 35.35 1y2x s VAL 57 CO -0.00 0.37 0.31 -0.55 0.00 0.00 0.00 175.10 175.23 1y2x s SER 58 N 0.26 5.44 0.37 3.32 0.15 0.80 -1.27 113.70 122.78 1y2x s SER 58 Ca -0.07 -2.18 0.11 0.00 0.70 0.00 0.00 55.95 54.50 1y2x s SER 58 Cb -0.12 -1.90 0.74 0.00 -1.71 0.00 0.00 66.02 63.02 1y2x s SER 58 CO 0.02 -0.56 1.86 0.28 1.20 0.00 0.00 173.24 176.05 1y2x h SER 59 N 7.96 0.14 -0.37 5.45 0.02 -1.79 -1.76 113.55 123.19 1y2x h SER 59 Ca -0.12 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1y2x h SER 59 Cb 1.04 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1y2x h SER 59 CO 0.75 0.40 0.20 0.44 -1.14 0.00 0.00 176.83 177.48 1y2x h ASP 60 N 0.13 0.49 -0.05 3.07 5.19 -1.93 -3.20 116.42 120.11 1y2x h ASP 60 Ca 0.02 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1y2x h ASP 60 Cb 0.53 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1y2x h ASP 60 CO 0.04 0.42 0.00 0.35 -3.12 0.00 0.00 179.24 176.92 1y2x n THR 61 N -4.42 0.80 -3.68 0.35 -2.24 -1.13 -5.01 114.28 98.95 1y2x n THR 61 Ca 0.03 -0.90 -0.22 0.00 -2.27 0.00 0.00 64.05 60.69 1y2x n THR 61 Cb 0.11 0.61 0.04 0.00 -2.10 0.00 0.00 70.33 69.00 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 -0.22 -2.08 -4.39 3.42 4.64 -0.75 -5.01 116.55 112.16 1y2x n ASP 62 Ca 0.02 -0.77 -0.25 0.00 -1.38 0.00 0.00 54.79 52.41 1y2x n ASP 62 Cb 0.24 -4.26 -0.11 0.00 -1.04 0.00 0.00 41.12 35.94 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 -5.98 1.44 0.11 -0.67 2.02 -0.74 -5.02 118.70 109.86 1y2x s GLU 63 Ca 0.12 -1.50 -0.26 0.00 0.02 0.00 0.00 54.97 53.36 1y2x s GLU 63 Cb -0.06 -1.66 0.07 0.00 0.10 0.00 0.00 34.13 32.59 1y2x s GLU 63 CO 0.80 0.35 0.86 -1.54 0.02 0.00 0.00 175.26 175.74 1y2x s SER 64 N -2.71 -0.31 0.16 -0.19 1.04 -1.26 -0.14 113.70 110.27 1y2x s SER 64 Ca 0.19 -0.21 -0.24 0.00 0.48 0.00 0.00 55.95 56.18 1y2x s SER 64 Cb -0.07 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.61 1y2x s SER 64 CO 0.09 -0.85 0.68 0.72 0.98 0.00 0.00 173.24 174.86 1y2x s PHE 65 N -3.36 -0.43 -0.11 5.02 -0.12 -0.68 -4.29 117.98 114.01 1y2x s PHE 65 Ca 0.08 0.18 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 1y2x s PHE 65 Cb -0.02 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 42.97 1y2x s PHE 65 CO -0.04 -0.87 -0.21 0.08 -0.05 0.00 0.00 175.22 174.13 1y2x s VAL 66 N -3.67 1.88 -0.16 -2.49 1.01 0.12 -1.42 120.40 115.67 1y2x s VAL 66 Ca 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1y2x s VAL 66 Cb -0.02 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1y2x s VAL 66 CO -0.08 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 1y2x s ALA 67 N 0.58 2.81 -0.03 5.51 0.00 0.10 -1.18 121.76 129.55 1y2x s ALA 67 Ca -0.14 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 50.95 1y2x s ALA 67 Cb -0.17 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1y2x s ALA 67 CO 0.04 0.05 -0.25 0.99 0.00 0.00 0.00 175.76 176.60 1y2x s THR 68 N 0.66 1.99 0.02 0.00 2.01 -0.11 0.25 115.64 120.46 1y2x s THR 68 Ca -0.04 -1.06 0.04 0.00 0.31 0.00 0.00 61.69 60.93 1y2x s THR 68 Cb -0.15 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1y2x s THR 68 CO 0.02 0.56 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.04 1y2x s PHE 69 N -0.43 0.98 0.00 4.92 0.40 -0.19 -1.52 117.98 122.13 1y2x s PHE 69 Ca 0.05 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1y2x s PHE 69 Cb -0.11 -0.60 0.00 0.00 0.51 0.00 0.00 43.02 42.82 1y2x s PHE 69 CO 0.01 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 176.33 1y2x n GLY 70 N 2.24 1.32 3.02 4.36 0.00 -1.00 -0.67 105.19 114.47 1y2x n GLY 70 Ca -0.17 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.58 1.30 -0.15 1.61 1.01 -0.91 -1.38 120.40 119.31 1y2x s VAL 71 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1y2x s VAL 71 Cb -0.00 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.19 1y2x s VAL 71 CO 0.00 0.40 -0.18 -2.28 0.00 0.00 0.00 175.10 173.04 1y2x s HIS 72 N 0.97 2.45 -1.45 5.22 5.04 0.41 0.09 115.29 128.02 1y2x s HIS 72 Ca -0.08 -1.32 -0.05 0.00 -1.54 0.00 0.00 55.06 52.07 1y2x s HIS 72 Cb -0.15 -1.72 0.01 0.00 0.04 0.00 0.00 32.58 30.76 1y2x s HIS 72 CO -0.01 -0.65 0.23 0.09 -2.34 0.00 0.00 174.74 172.06 1y2x n ASN 73 N 4.40 -0.22 -0.49 9.88 3.02 -1.26 -1.89 115.26 128.70 1y2x n ASN 73 Ca -0.19 -1.19 -0.06 0.00 -0.03 0.00 0.00 54.58 53.10 1y2x n ASN 73 Cb 0.51 -2.09 -0.03 0.00 -0.61 0.00 0.00 39.78 37.56 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 -4.58 0.00 -4.44 3.10 4.02 -1.26 -5.00 117.16 109.00 1y2x n TYR 74 Ca -0.29 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.40 1y2x n TYR 74 Cb 0.68 -1.66 -0.14 0.00 -0.02 0.00 0.00 39.34 38.20 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 -2.14 0.93 0.55 -0.72 1.02 -0.79 -4.96 119.74 113.63 1y2x s LYS 75 Ca 0.00 -0.55 -0.20 0.00 0.02 0.00 0.00 55.97 55.24 1y2x s LYS 75 Cb 0.00 -0.90 -0.05 0.00 -0.52 0.00 0.00 37.83 36.36 1y2x s LYS 75 CO 0.00 0.24 1.17 -0.98 -0.92 0.00 0.00 175.35 174.86 1y2x s ARG 76 N -0.63 3.26 0.14 1.68 3.03 -1.26 -0.45 118.95 124.72 1y2x s ARG 76 Ca 0.03 1.73 -0.01 0.00 2.03 0.00 0.00 55.73 59.52 1y2x s ARG 76 Cb -0.06 -2.03 -0.04 0.00 -1.03 0.00 0.00 34.95 31.79 1y2x s ARG 76 CO 0.00 -0.96 0.05 1.67 -1.13 0.00 0.00 175.30 174.94 1y2x s TRP 77 N -1.66 0.94 0.06 5.89 1.48 -0.48 -3.61 118.94 121.56 1y2x s TRP 77 Ca 0.73 -1.20 -0.22 0.00 -1.06 0.00 0.00 56.10 54.35 1y2x s TRP 77 Cb -0.27 -0.52 0.05 0.00 -1.16 0.00 0.00 33.47 31.56 1y2x s TRP 77 CO 0.31 -0.47 0.52 0.00 -4.06 0.00 0.00 176.95 173.25 1y2x s ASP 79 N -2.07 -0.44 -0.04 0.00 2.15 -0.58 -4.76 116.67 110.92 1y2x s ASP 79 Ca -0.04 0.20 0.03 0.00 0.43 0.00 0.00 52.55 53.17 1y2x s ASP 79 Cb -0.00 0.49 0.00 0.00 -0.30 0.00 0.00 42.92 43.11 1y2x s ASP 79 CO -0.03 -0.71 -0.14 -0.63 -0.17 0.00 0.00 175.17 173.49 1y2x s ILE 80 N -2.35 1.19 -0.03 4.11 1.01 -1.26 -0.94 121.20 122.92 1y2x s ILE 80 Ca -0.06 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1y2x s ILE 80 Cb -0.01 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 1y2x s ILE 80 CO -0.01 0.35 -0.22 -0.69 0.00 0.00 0.00 174.94 174.38 1y2x s VAL 81 N 0.22 1.74 0.00 2.92 1.01 -0.32 -4.96 120.40 121.01 1y2x s VAL 81 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1y2x s VAL 81 Cb -0.12 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1y2x s VAL 81 CO 0.02 0.49 0.00 1.07 0.00 0.00 0.00 175.10 176.68 1y2x n THR 82 N 2.77 0.00 -3.42 3.92 5.66 -1.26 -0.70 114.28 121.24 1y2x n THR 82 Ca -0.16 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.59 1y2x n THR 82 Cb 0.52 0.00 0.04 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 -2.04 -5.46 -4.76 1.09 3.02 -1.26 -4.92 115.26 100.93 1y2x n ASN 83 Ca 0.00 -0.48 -0.37 0.00 -0.03 0.00 0.00 54.58 53.71 1y2x n ASN 83 Cb 0.00 -4.38 0.02 0.00 -0.61 0.00 0.00 39.78 34.81 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 -6.94 3.83 0.82 3.41 1.43 -1.26 -5.05 118.68 114.93 1y2x s LEU 84 Ca 0.47 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.85 1y2x s LEU 84 Cb -0.22 -4.41 0.09 0.00 0.03 0.00 0.00 46.19 41.68 1y2x s LEU 84 CO 0.58 -1.30 1.18 0.42 0.23 0.00 0.00 176.35 177.47 1y2x s THR 85 N -1.55 2.01 -0.51 5.49 -4.23 -1.26 -4.97 115.64 110.63 1y2x s THR 85 Ca 0.71 -0.01 0.24 0.00 -1.18 0.00 0.00 61.69 61.45 1y2x s THR 85 Cb -0.31 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.79 1y2x s THR 85 CO 0.35 0.00 1.72 0.59 -0.54 0.00 0.00 174.62 176.75 1y2x n ASN 86 N -3.34 0.69 0.03 3.99 3.02 -1.26 -2.51 115.26 115.88 1y2x n ASN 86 Ca 0.09 0.66 0.12 0.00 -0.03 0.00 0.00 54.58 55.41 1y2x n ASN 86 Cb 0.61 -0.81 0.20 0.00 -0.61 0.00 0.00 39.78 39.17 1y2x n ASN 86 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y2x n GLU 87 N -2.25 0.14 -2.67 3.52 4.71 -1.26 -4.63 120.64 118.21 1y2x n GLU 87 Ca 0.02 0.03 -0.43 0.00 -0.01 0.00 0.00 57.16 56.77 1y2x n GLU 87 Cb 0.25 -1.58 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 -1.78 3.53 -1.66 3.49 6.02 -1.04 -4.84 117.38 121.09 1y2x n GLN 88 Ca 0.04 -3.74 -0.29 0.00 -0.01 0.00 0.00 57.00 53.01 1y2x n GLN 88 Cb 0.39 -2.96 0.14 0.00 1.02 0.00 0.00 30.24 28.82 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 0.81 1.98 0.42 5.09 -4.23 -1.26 -4.82 115.64 113.61 1y2x s THR 89 Ca 0.41 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 61.03 1y2x s THR 89 Cb 0.03 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 71.21 1y2x s THR 89 CO 0.01 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.05 1y2x h ALA 90 N -1.46 1.62 -0.47 3.99 0.00 -1.95 -1.92 119.26 119.08 1y2x h ALA 90 Ca -0.48 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.33 1y2x h ALA 90 Cb 1.32 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1y2x h ALA 90 CO 0.58 0.28 0.09 1.25 0.00 0.00 0.00 179.25 181.46 1y2x h LEU 91 N 0.15 0.01 0.02 0.00 6.46 -1.96 -0.55 115.31 119.43 1y2x h LEU 91 Ca 0.03 0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1y2x h LEU 91 Cb 0.31 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 1y2x h LEU 91 CO 0.02 0.03 -0.01 0.58 -0.62 0.00 0.00 178.44 178.44 1y2x h VAL 92 N 0.23 1.35 -0.12 1.05 2.07 -1.76 -3.29 116.25 115.78 1y2x h VAL 92 Ca 0.23 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1y2x h VAL 92 Cb 0.30 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1y2x h VAL 92 CO -0.30 0.29 0.05 0.40 0.02 0.00 0.00 177.57 178.04 1y2x h ILE 93 N -0.53 1.13 -0.86 4.57 1.08 -1.28 -2.90 117.51 118.73 1y2x h ILE 93 Ca -0.00 -0.40 0.20 0.00 -0.39 0.00 0.00 64.86 64.27 1y2x h ILE 93 Cb 0.50 1.17 -0.12 0.00 -3.07 0.00 0.00 36.82 35.31 1y2x h ILE 93 CO 0.00 0.12 0.34 -1.13 -0.69 0.00 0.00 178.15 176.80 1y2x h ASN 94 N 0.06 0.26 0.88 1.72 -0.00 -1.23 -1.81 115.58 115.46 1y2x h ASN 94 Ca 0.04 0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.49 1y2x h ASN 94 Cb 0.14 0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 1y2x h ASN 94 CO -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 177.43 177.12 1y2x n GLN 95 N -5.07 0.11 0.19 6.67 10.64 -1.11 -3.23 117.38 125.58 1y2x n GLN 95 Ca 0.20 0.05 0.14 0.00 -1.83 0.00 0.00 57.00 55.56 1y2x n GLN 95 Cb 0.59 -1.59 0.57 0.00 -0.86 0.00 0.00 30.24 28.95 1y2x n GLN 95 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1y2x h GLU 96 N 0.00 0.00 0.00 2.61 5.08 -1.15 -2.65 114.58 118.48 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 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1y2x h GLU 96 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1y2x n TYR 97 N -2.57 0.00 -2.82 4.33 4.02 -1.20 -1.64 117.16 117.28 1y2x n TYR 97 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.74 1y2x n TYR 97 Cb 0.26 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.58 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 -0.81 1.55 0.00 -0.72 4.02 -1.00 -4.41 117.16 115.79 1y2x n TYR 98 Ca 0.11 -3.29 0.00 0.00 -0.01 0.00 0.00 57.90 54.71 1y2x n TYR 98 Cb 0.05 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 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 -0.05 1.50 3.63 2.72 0.00 -1.23 -5.10 105.19 106.66 1y2x n GLY 99 Ca 0.21 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 4.87 0.15 1.61 1.01 -0.65 -4.98 120.40 122.42 1y2x s VAL 100 Ca 0.00 1.31 -0.24 0.00 0.00 0.00 0.00 61.98 63.05 1y2x s VAL 100 Cb 0.00 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.34 1y2x s VAL 100 CO 0.00 -0.09 1.61 -0.65 0.00 0.00 0.00 175.10 175.97 1y2x h PRO 101 N 7.88 -0.30 -0.33 2.72 0.11 -1.98 0.35 132.00 140.45 1y2x h PRO 101 Ca -0.25 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1y2x h PRO 101 Cb 1.10 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1y2x h PRO 101 CO 0.84 -0.20 0.17 0.97 -0.21 0.00 0.00 178.00 179.58 1y2x h ILE 102 N -0.31 1.11 -0.07 4.15 2.10 -1.94 0.27 117.51 122.82 1y2x h ILE 102 Ca 0.13 -0.30 -0.15 0.00 1.08 0.00 0.00 64.86 65.63 1y2x h ILE 102 Cb 0.52 0.68 0.01 0.00 -1.09 0.00 0.00 36.82 36.94 1y2x h ILE 102 CO -0.43 0.12 -0.54 0.03 -1.08 0.00 0.00 178.15 176.25 1y2x h ARG 103 N 0.45 0.49 -0.74 2.19 2.47 -1.57 -2.67 114.38 115.01 1y2x h ARG 103 Ca 0.12 -0.43 0.12 0.00 -1.26 0.00 0.00 59.98 58.52 1y2x h ARG 103 Cb 0.03 0.10 -0.08 0.00 -1.65 0.00 0.00 29.97 28.37 1y2x h ARG 103 CO -0.02 1.07 0.34 -0.44 0.56 0.00 0.00 179.97 181.48 1y2x h ASP 104 N 0.06 0.39 -0.34 7.04 3.32 0.25 -2.08 116.42 125.07 1y2x h ASP 104 Ca -0.05 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1y2x h ASP 104 Cb 1.20 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1y2x h ASP 104 CO 0.11 0.19 0.14 1.56 -1.72 0.00 0.00 179.24 179.52 1y2x h GLN 105 N 0.54 0.51 -0.99 3.56 4.20 -0.98 0.10 115.11 122.06 1y2x h GLN 105 Ca 0.39 -0.09 0.13 0.00 0.06 0.00 0.00 58.65 59.13 1y2x h GLN 105 Cb 0.50 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.11 1y2x h GLN 105 CO -0.33 0.50 0.62 0.00 -0.67 0.00 0.00 178.83 178.95 1y2x h ALA 106 N 0.99 1.58 -0.19 3.87 0.00 -1.03 0.09 119.26 124.57 1y2x h ALA 106 Ca 0.11 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1y2x h ALA 106 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1y2x h ALA 106 CO -0.01 0.16 -0.55 -0.09 0.00 0.00 0.00 179.25 178.77 1y2x h ARG 107 N 0.93 0.71 0.00 0.00 2.43 -1.07 -3.15 114.38 114.24 1y2x h ARG 107 Ca 0.49 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1y2x h ARG 107 Cb 0.55 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1y2x h ARG 107 CO -0.26 1.13 -0.06 0.93 -1.51 0.00 0.00 179.97 180.20 1y2x h GLU 108 N 0.42 0.00 0.00 0.20 5.08 0.37 -2.38 114.58 118.27 1y2x h GLU 108 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1y2x h GLU 108 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1y2x h GLU 108 CO 0.12 0.06 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.16 1y2x h ASN 109 N 0.00 0.00 -6.31 1.42 -0.26 -0.98 -3.47 115.58 105.98 1y2x h ASN 109 Ca -0.00 0.00 -0.46 0.00 -0.56 0.00 0.00 56.30 55.28 1y2x h ASN 109 Cb 0.23 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1y2x h ASN 109 CO 0.01 0.12 -0.86 0.00 -1.06 0.00 0.00 177.43 175.63 1y2x n GLN 110 N -3.50 -4.05 -2.58 0.81 6.02 -0.90 -4.89 117.38 108.30 1y2x n GLN 110 Ca -0.01 0.50 -0.39 0.00 -0.01 0.00 0.00 57.00 57.09 1y2x n GLN 110 Cb 0.26 -4.83 -0.05 0.00 1.02 0.00 0.00 30.24 26.64 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 -6.84 4.43 0.02 1.08 1.43 -1.24 -4.72 118.68 112.84 1y2x s LEU 111 Ca 0.01 2.09 0.24 0.00 -1.03 0.00 0.00 54.13 55.45 1y2x s LEU 111 Cb -0.01 -3.83 0.33 0.00 0.03 0.00 0.00 46.19 42.71 1y2x s LEU 111 CO 0.85 -0.18 1.28 0.35 0.23 0.00 0.00 176.35 178.89 1y2x n THR 112 N 0.81 0.07 -3.64 5.49 -2.24 -1.26 -4.00 114.28 109.51 1y2x n THR 112 Ca 0.01 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1y2x n THR 112 Cb 0.47 0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 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 -3.31 -0.58 -0.13 3.42 1.04 -1.26 -0.96 113.70 111.91 1y2x s SER 113 Ca 0.09 0.96 -0.13 0.00 0.48 0.00 0.00 55.95 57.35 1y2x s SER 113 Cb 0.16 0.96 0.04 0.00 0.10 0.00 0.00 66.02 67.28 1y2x s SER 113 CO 0.74 -0.33 0.37 -0.47 0.98 0.00 0.00 173.24 174.52 1y2x s TYR 114 N -0.23 -0.39 0.01 5.02 5.04 -0.34 -5.00 117.35 121.46 1y2x s TYR 114 Ca -0.04 0.95 0.00 0.00 -2.44 0.00 0.00 57.07 55.55 1y2x s TYR 114 Cb -0.03 0.14 -0.01 0.00 0.35 0.00 0.00 41.96 42.40 1y2x s TYR 114 CO 0.03 -0.20 -0.02 0.54 -1.34 0.00 0.00 175.55 174.56 1y2x s ASN 115 N 0.12 0.21 0.08 4.32 2.20 -1.26 -0.21 114.94 120.41 1y2x s ASN 115 Ca -0.01 -0.33 -0.14 0.00 -0.94 0.00 0.00 52.86 51.44 1y2x s ASN 115 Cb -0.03 0.06 0.02 0.00 -2.00 0.00 0.00 41.25 39.31 1y2x s ASN 115 CO 0.01 -0.19 0.33 0.54 -2.94 0.00 0.00 177.10 174.85 1y2x s VAL 116 N -0.96 0.09 0.11 3.54 0.11 -0.43 -4.99 120.40 117.87 1y2x s VAL 116 Ca -0.10 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 1y2x s VAL 116 Cb -0.07 -1.10 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1y2x s VAL 116 CO -0.01 -0.40 -0.10 0.00 -3.33 0.00 0.00 175.10 171.27 1y2x s ALA 117 N -3.23 2.97 0.84 1.54 0.00 -1.26 -0.27 121.76 122.35 1y2x s ALA 117 Ca -0.00 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.61 1y2x s ALA 117 Cb 0.01 -0.90 0.15 0.00 0.00 0.00 0.00 23.12 22.38 1y2x s ALA 117 CO -0.08 0.64 1.17 0.54 0.00 0.00 0.00 175.76 178.04 1y2x s ASN 118 N -2.24 3.83 0.64 0.00 2.20 -0.79 -4.92 114.94 113.65 1y2x s ASN 118 Ca 0.22 0.16 0.38 0.00 -0.94 0.00 0.00 52.86 52.68 1y2x s ASN 118 Cb -0.11 -0.43 2.10 0.00 -2.00 0.00 0.00 41.25 40.81 1y2x s ASN 118 CO 0.14 -2.25 2.25 0.00 -2.94 0.00 0.00 177.10 174.30 1y2x h ALA 119 N -1.13 1.26 -0.00 3.54 0.00 -1.97 -0.60 119.26 120.36 1y2x h ALA 119 Ca -0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1y2x h ALA 119 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1y2x h ALA 119 CO 0.44 -0.09 -0.18 1.63 0.00 0.00 0.00 179.25 181.06 1y2x n LYS 120 N -3.30 0.64 -0.23 0.00 5.02 -1.26 -4.94 118.16 114.08 1y2x n LYS 120 Ca -0.02 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 1y2x n LYS 120 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 1.33 0.62 3.68 0.72 0.00 -0.23 -5.05 105.19 106.25 1y2x n GLY 121 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.77 4.36 0.14 1.61 3.52 -1.26 -4.82 118.95 121.73 1y2x s ARG 122 Ca 0.00 1.55 -0.25 0.00 -0.13 0.00 0.00 55.73 56.90 1y2x s ARG 122 Cb 0.00 -3.58 -0.07 0.00 -1.56 0.00 0.00 34.95 29.74 1y2x s ARG 122 CO 0.00 -0.44 0.78 1.03 -0.81 0.00 0.00 175.30 175.86 1y2x s ARG 123 N 2.34 4.56 0.05 5.12 0.52 -1.26 -1.88 118.95 128.40 1y2x s ARG 123 Ca 0.52 1.15 0.09 0.00 -0.52 0.00 0.00 55.73 56.96 1y2x s ARG 123 Cb -0.21 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 1y2x s ARG 123 CO 0.19 0.50 -0.25 -0.06 0.02 0.00 0.00 175.30 175.70 1y2x s PHE 124 N -0.89 2.15 -0.05 -0.53 0.40 0.63 -0.31 117.98 119.37 1y2x s PHE 124 Ca 0.37 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 56.22 1y2x s PHE 124 Cb -0.23 -1.28 0.02 0.00 0.51 0.00 0.00 43.02 42.04 1y2x s PHE 124 CO 0.26 0.12 0.19 0.00 0.70 0.00 0.00 175.22 176.49 1y2x s ALA 125 N -0.81 -0.47 -0.08 5.36 0.00 0.13 -1.31 121.76 124.58 1y2x s ALA 125 Ca 0.10 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1y2x s ALA 125 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1y2x s ALA 125 CO 0.02 -0.13 -0.19 0.42 0.00 0.00 0.00 175.76 175.88 1y2x s ILE 126 N -0.37 2.61 -0.24 0.00 1.01 0.71 -0.04 121.20 124.88 1y2x s ILE 126 Ca -0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 1y2x s ILE 126 Cb -0.03 -2.02 0.09 0.00 0.01 0.00 0.00 42.46 40.51 1y2x s ILE 126 CO 0.01 0.56 0.15 -0.70 0.00 0.00 0.00 174.94 174.96 1y2x s GLU 127 N -0.09 0.17 0.07 2.79 2.12 -0.31 -1.19 118.70 122.25 1y2x s GLU 127 Ca -0.04 -0.25 -0.31 0.00 0.36 0.00 0.00 54.97 54.73 1y2x s GLU 127 Cb -0.14 -1.29 -0.07 0.00 0.26 0.00 0.00 34.13 32.89 1y2x s GLU 127 CO 0.04 -0.87 1.36 0.71 -0.54 0.00 0.00 175.26 175.95 1y2x s TYR 128 N 2.18 3.16 -0.12 5.30 1.51 -0.13 -0.02 117.35 129.22 1y2x s TYR 128 Ca 0.07 0.97 0.20 0.00 -1.01 0.00 0.00 57.07 57.30 1y2x s TYR 128 Cb -0.16 -3.63 -0.27 0.00 -0.11 0.00 0.00 41.96 37.80 1y2x s TYR 128 CO -0.25 -2.20 0.34 0.25 -1.11 0.00 0.00 175.55 172.58 1y2x n THR 129 N 4.17 0.79 -4.28 -0.71 -2.24 0.10 -4.80 114.28 107.32 1y2x n THR 129 Ca 0.11 -0.69 -0.32 0.00 -2.27 0.00 0.00 64.05 60.89 1y2x n THR 129 Cb 0.43 -0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.97 1.86 -0.56 2.28 1.01 -1.09 -4.97 120.40 115.96 1y2x s VAL 130 Ca -0.08 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1y2x s VAL 130 Cb 0.10 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1y2x s VAL 130 CO 0.86 0.51 0.45 0.35 0.00 0.00 0.00 175.10 177.27 1y2x n THR 131 N 4.47 0.00 -4.22 3.92 -2.24 -1.26 -2.98 114.28 111.97 1y2x n THR 131 Ca -0.19 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.04 1y2x n THR 131 Cb 0.51 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.50 0.96 0.45 -0.78 8.01 -1.26 -4.65 118.70 119.93 1y2x s GLU 132 Ca 0.05 -1.13 0.00 0.00 0.01 0.00 0.00 54.97 53.90 1y2x s GLU 132 Cb 0.06 -0.93 0.00 0.00 -4.31 0.00 0.00 34.13 28.95 1y2x s GLU 132 CO 0.27 0.19 0.00 0.41 0.01 0.00 0.00 175.26 176.15 1y2x n GLY 133 N 0.86 -2.30 0.13 -1.39 0.00 -1.26 -4.63 105.19 96.59 1y2x n GLY 133 Ca -0.18 -1.67 0.01 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.12 1.61 5.19 -1.93 -3.41 116.42 113.77 1y2x h ASP 134 Ca 0.00 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.75 1y2x h ASP 134 Cb 0.00 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.13 1y2x h ASP 134 CO 0.00 0.60 -0.48 0.20 -3.12 0.00 0.00 179.24 176.44 1y2x s ASN 135 N -6.52 4.83 0.31 6.45 0.01 -1.26 -0.71 114.94 118.05 1y2x s ASN 135 Ca 0.03 -3.09 -0.08 0.00 -0.71 0.00 0.00 52.86 49.01 1y2x s ASN 135 Cb 0.09 -1.74 -0.06 0.00 0.41 0.00 0.00 41.25 39.95 1y2x s ASN 135 CO 0.75 -0.26 0.62 -0.76 -1.51 0.00 0.00 177.10 175.94 1y2x s LEU 136 N -0.40 4.01 -0.01 0.60 1.43 0.64 -4.97 118.68 119.98 1y2x s LEU 136 Ca 0.18 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1y2x s LEU 136 Cb -0.20 -3.71 -0.00 0.00 0.03 0.00 0.00 46.19 42.31 1y2x s LEU 136 CO -0.04 -0.23 -0.09 -0.54 0.23 0.00 0.00 176.35 175.68 1y2x s LYS 137 N -3.50 0.78 -0.02 1.70 1.02 -1.16 -0.80 119.74 117.76 1y2x s LYS 137 Ca 0.47 -0.31 -0.08 0.00 0.02 0.00 0.00 55.97 56.07 1y2x s LYS 137 Cb -0.11 -0.75 0.01 0.00 -0.52 0.00 0.00 37.83 36.47 1y2x s LYS 137 CO 0.28 0.17 0.18 0.00 -0.92 0.00 0.00 175.35 175.06 1y2x s ALA 138 N -0.08 -0.44 -0.15 5.17 0.00 0.11 -0.72 121.76 125.64 1y2x s ALA 138 Ca 0.01 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.98 1y2x s ALA 138 Cb -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1y2x s ALA 138 CO -0.00 -0.19 0.22 -0.80 0.00 0.00 0.00 175.76 174.99 1y2x s ASN 139 N -1.00 6.38 -0.34 0.00 0.02 0.97 -1.12 114.94 119.86 1y2x s ASN 139 Ca -0.11 0.44 -0.07 0.00 -1.02 0.00 0.00 52.86 52.10 1y2x s ASN 139 Cb -0.06 -2.14 0.03 0.00 0.02 0.00 0.00 41.25 39.11 1y2x s ASN 139 CO 0.02 0.20 0.12 -0.22 0.02 0.00 0.00 177.10 177.23 1y2x s LEU 140 N 0.05 4.29 -0.27 0.60 2.96 0.69 -1.16 118.68 125.84 1y2x s LEU 140 Ca 0.14 -1.01 -0.07 0.00 -0.22 0.00 0.00 54.13 52.98 1y2x s LEU 140 Cb -0.12 -1.90 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 1y2x s LEU 140 CO 0.03 -0.31 0.06 -0.63 -1.32 0.00 0.00 176.35 174.18 1y2x s ILE 141 N 1.46 3.97 -0.30 6.68 1.01 0.94 -0.35 121.20 134.61 1y2x s ILE 141 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1y2x s ILE 141 Cb -0.19 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1y2x s ILE 141 CO 0.04 0.20 0.30 -0.63 0.00 0.00 0.00 174.94 174.85 1y2x s ILE 142 N 1.53 5.23 -2.26 2.92 1.01 0.34 -0.69 121.20 129.28 1y2x s ILE 142 Ca 0.04 0.22 0.30 0.00 0.00 0.00 0.00 60.65 61.21 1y2x s ILE 142 Cb -0.16 -3.68 0.72 0.00 0.01 0.00 0.00 42.46 39.35 1y2x s ILE 142 CO 0.02 0.10 1.98 0.61 0.00 0.00 0.00 174.94 177.65