#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5x s ILE 2 N 0.00 4.22 -0.63 1.12 1.01 -1.26 -4.86 121.20 120.80 2h5x s ILE 2 Ca 0.00 1.30 0.23 0.00 0.00 0.00 0.00 60.65 62.19 2h5x s ILE 2 Cb 0.00 -4.45 -0.07 0.00 0.01 0.00 0.00 42.46 37.94 2h5x s ILE 2 CO 0.00 -0.79 1.10 0.00 0.00 0.00 0.00 174.94 175.25 2h5x n ALA 3 N 7.75 3.30 -3.55 9.38 0.00 -1.26 -4.00 120.51 132.13 2h5x n ALA 3 Ca 0.13 -0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 2h5x n ALA 3 Cb 0.48 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2h5x n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2h5x s SER 4 N -3.96 -0.29 -0.06 0.00 1.04 -1.26 -1.13 113.70 108.04 2h5x s SER 4 Ca 0.04 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2h5x s SER 4 Cb 0.14 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2h5x s SER 4 CO 0.78 -0.45 -0.03 -0.69 0.98 0.00 0.00 173.24 173.83 2h5x s VAL 5 N -2.52 0.51 -0.14 5.02 1.01 -1.07 -4.94 120.40 118.27 2h5x s VAL 5 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2h5x s VAL 5 Cb -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.82 2h5x s VAL 5 CO -0.06 0.24 -0.11 -0.60 0.00 0.00 0.00 175.10 174.58 2h5x s ARG 6 N 1.31 1.91 0.00 2.72 3.52 -1.26 -1.51 118.95 125.64 2h5x s ARG 6 Ca -0.05 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 2h5x s ARG 6 Cb -0.14 -1.93 0.00 0.00 -1.56 0.00 0.00 34.95 31.33 2h5x s ARG 6 CO -0.02 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 2h5x n GLY 7 N 4.84 1.27 3.72 8.12 0.00 0.55 -4.63 105.19 119.06 2h5x n GLY 7 Ca -0.15 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 2h5x n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h5x s GLU 8 N 1.06 4.48 -0.41 1.61 2.12 -0.78 0.38 118.70 127.16 2h5x s GLU 8 Ca 0.00 1.06 -0.29 0.00 0.36 0.00 0.00 54.97 56.11 2h5x s GLU 8 Cb 0.00 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2h5x s GLU 8 CO 0.00 0.07 1.48 0.08 -0.54 0.00 0.00 175.26 176.35 2h5x s VAL 9 N 0.71 3.82 -0.02 3.70 1.01 0.14 -0.50 120.40 129.26 2h5x s VAL 9 Ca 0.42 0.83 0.12 0.00 0.00 0.00 0.00 61.98 63.34 2h5x s VAL 9 Cb -0.19 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 31.92 2h5x s VAL 9 CO 0.22 -0.73 1.09 -0.07 0.00 0.00 0.00 175.10 175.61 2h5x h LEU 10 N 12.54 0.00 -7.00 3.92 3.38 -1.13 0.01 115.31 127.04 2h5x h LEU 10 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2h5x h LEU 10 Cb 1.12 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.65 2h5x h LEU 10 CO 1.08 0.82 0.11 -0.70 0.09 0.00 0.00 178.44 179.85 2h5x s GLU 11 N -2.77 0.77 -0.33 1.13 2.12 -1.19 -4.79 118.70 113.64 2h5x s GLU 11 Ca -0.00 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.39 2h5x s GLU 11 Cb 0.09 0.30 0.08 0.00 0.26 0.00 0.00 34.13 34.86 2h5x s GLU 11 CO 0.80 -0.12 0.04 0.08 -0.54 0.00 0.00 175.26 175.53 2h5x s VAL 12 N 0.84 2.74 0.00 3.70 1.01 -1.26 -1.40 120.40 126.03 2h5x s VAL 12 Ca -0.04 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.11 2h5x s VAL 12 Cb -0.05 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2h5x s VAL 12 CO -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 175.10 174.67 2h5x n ALA 13 N 4.49 0.00 0.18 5.51 0.00 -0.45 -5.02 120.51 125.21 2h5x n ALA 13 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 2h5x n ALA 13 Cb 0.42 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.97 2h5x n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2h5x h LEU 14 N 0.00 0.00 -1.73 0.00 5.85 -1.99 -3.38 115.31 114.07 2h5x h LEU 14 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2h5x h LEU 14 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2h5x h LEU 14 CO 0.00 0.11 -0.16 -0.90 -0.34 0.00 0.00 178.44 177.15 2h5x n ASP 15 N -3.03 0.44 -3.62 1.25 5.75 -1.26 -4.63 116.55 111.44 2h5x n ASP 15 Ca 0.02 -1.62 -0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2h5x n ASP 15 Cb 0.58 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.56 2h5x n ASP 15 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 2h5x s HIS 16 N -0.36 -0.07 0.18 2.11 -3.43 -1.26 -2.83 115.29 109.63 2h5x s HIS 16 Ca 0.03 -0.04 0.05 0.00 -0.80 0.00 0.00 55.06 54.30 2h5x s HIS 16 Cb 0.02 0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 31.67 2h5x s HIS 16 CO 0.00 -0.30 -0.10 0.08 -2.00 0.00 0.00 174.74 172.43 2h5x s VAL 17 N -2.49 1.31 -0.16 -5.38 1.01 0.18 -1.35 120.40 113.52 2h5x s VAL 17 Ca 0.13 -2.10 0.00 0.00 0.00 0.00 0.00 61.98 60.02 2h5x s VAL 17 Cb 0.03 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2h5x s VAL 17 CO -0.04 -0.63 -0.14 -0.69 0.00 0.00 0.00 175.10 173.61 2h5x s VAL 18 N -3.24 1.60 -0.12 2.92 1.01 -0.49 0.19 120.40 122.28 2h5x s VAL 18 Ca 0.20 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2h5x s VAL 18 Cb 0.02 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 2h5x s VAL 18 CO 0.04 0.41 -0.20 -0.63 0.00 0.00 0.00 175.10 174.72 2h5x s ILE 19 N 1.46 2.36 -0.23 2.22 1.01 -0.89 -0.51 121.20 126.62 2h5x s ILE 19 Ca 0.04 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 2h5x s ILE 19 Cb -0.13 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2h5x s ILE 19 CO -0.10 0.55 0.33 -0.70 0.00 0.00 0.00 174.94 175.01 2h5x s GLU 20 N 0.43 4.11 -0.14 2.79 2.12 0.35 -0.88 118.70 127.47 2h5x s GLU 20 Ca -0.15 0.04 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 2h5x s GLU 20 Cb -0.17 -3.56 0.04 0.00 0.26 0.00 0.00 34.13 30.70 2h5x s GLU 20 CO 0.06 -0.07 -0.01 0.00 -0.54 0.00 0.00 175.26 174.71 2h5x s ALA 21 N 1.41 1.02 -1.14 6.30 0.00 0.72 -1.87 121.76 128.21 2h5x s ALA 21 Ca 0.15 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 2h5x s ALA 21 Cb -0.15 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.00 2h5x s ALA 21 CO 0.08 -0.76 0.98 0.00 0.00 0.00 0.00 175.76 176.06 2h5x n ALA 22 N 5.04 -1.27 -0.83 0.00 0.00 -1.26 -1.87 120.51 120.33 2h5x n ALA 22 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2h5x n ALA 22 Cb 0.49 -4.21 0.00 0.00 0.00 0.00 0.00 19.45 15.72 2h5x n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h5x n GLY 23 N -1.64 0.43 3.40 0.00 0.00 -1.26 -4.96 105.19 101.15 2h5x n GLY 23 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 2h5x n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h5x s VAL 24 N -2.21 3.99 -0.34 1.61 1.01 -0.78 -5.07 120.40 118.61 2h5x s VAL 24 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 2h5x s VAL 24 Cb 0.00 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 2h5x s VAL 24 CO 0.00 0.35 0.43 -0.83 0.00 0.00 0.00 175.10 175.05 2h5x s GLY 25 N 1.57 1.86 -0.11 4.51 0.00 -1.26 -0.20 107.32 113.68 2h5x s GLY 25 Ca 0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 2h5x s GLY 25 CO 0.01 1.12 0.28 -0.19 0.00 0.00 0.00 173.10 174.32 2h5x s TYR 26 N 2.19 3.55 -0.34 1.90 1.51 -0.06 -4.87 117.35 121.23 2h5x s TYR 26 Ca 0.15 0.67 -0.25 0.00 -1.01 0.00 0.00 57.07 56.63 2h5x s TYR 26 Cb -0.16 -2.23 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 2h5x s TYR 26 CO 0.12 0.45 0.87 0.50 -1.11 0.00 0.00 175.55 176.38 2h5x s ARG 27 N -0.23 3.89 -0.24 -0.62 3.52 -1.26 -2.10 118.95 121.91 2h5x s ARG 27 Ca 0.18 0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 56.32 2h5x s ARG 27 Cb -0.14 -3.77 -0.00 0.00 -1.56 0.00 0.00 34.95 29.48 2h5x s ARG 27 CO 0.06 -0.84 -0.00 0.08 -0.81 0.00 0.00 175.30 173.79 2h5x s VAL 28 N 3.25 3.56 0.31 7.11 1.01 0.13 -4.27 120.40 131.50 2h5x s VAL 28 Ca 0.36 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 2h5x s VAL 28 Cb -0.13 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 2h5x s VAL 28 CO 0.16 0.31 1.01 0.20 0.00 0.00 0.00 175.10 176.78 2h5x s ASN 29 N 1.48 7.26 0.21 3.32 0.01 -0.46 0.49 114.94 127.25 2h5x s ASN 29 Ca 0.04 2.02 -0.20 0.00 -0.71 0.00 0.00 52.86 54.02 2h5x s ASN 29 Cb -0.15 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 38.95 2h5x s ASN 29 CO -0.01 -0.13 0.60 0.00 -1.51 0.00 0.00 177.10 176.04 2h5x s ALA 30 N -1.41 -1.21 0.66 0.60 0.00 -1.13 -0.03 121.76 119.24 2h5x s ALA 30 Ca 0.48 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 2h5x s ALA 30 Cb -0.25 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 2h5x s ALA 30 CO 0.31 -0.85 1.06 0.95 0.00 0.00 0.00 175.76 177.22 2h5x s THR 31 N -3.85 4.21 0.40 0.00 -4.23 -1.26 -4.17 115.64 106.74 2h5x s THR 31 Ca 0.07 0.72 0.06 0.00 -1.18 0.00 0.00 61.69 61.36 2h5x s THR 31 Cb -0.02 -3.69 0.26 0.00 1.34 0.00 0.00 72.50 70.39 2h5x s THR 31 CO -0.03 -0.94 2.05 -0.65 -0.54 0.00 0.00 174.62 174.51 2h5x h PRO 32 N -0.47 0.60 -0.18 3.99 0.11 -1.91 0.20 132.00 134.33 2h5x h PRO 32 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2h5x h PRO 32 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2h5x h PRO 32 CO 0.62 0.40 0.08 0.00 -0.21 0.00 0.00 178.00 178.90 2h5x h ALA 33 N 1.71 0.23 -0.48 -0.75 0.00 -1.93 -0.54 119.26 117.51 2h5x h ALA 33 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2h5x h ALA 33 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2h5x h ALA 33 CO -0.04 -0.20 -0.04 1.15 0.00 0.00 0.00 179.25 180.12 2h5x h THR 34 N 0.16 1.27 -0.08 0.00 2.02 -1.81 -2.94 112.91 111.53 2h5x h THR 34 Ca 0.06 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.13 2h5x h THR 34 Cb 0.13 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2h5x h THR 34 CO -0.01 0.39 0.07 -0.07 0.37 0.00 0.00 175.52 176.28 2h5x h LEU 35 N 0.73 0.00 0.39 2.58 3.38 -0.30 -3.08 115.31 119.01 2h5x h LEU 35 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2h5x h LEU 35 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2h5x h LEU 35 CO 0.03 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.38 2h5x h ALA 36 N 1.93 -0.52 0.00 1.53 0.00 -0.91 -2.98 119.26 118.31 2h5x h ALA 36 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2h5x h ALA 36 Cb 0.18 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2h5x h ALA 36 CO -0.00 -0.73 0.00 -2.37 0.00 0.00 0.00 179.25 176.15 2h5x n THR 37 N -5.26 0.00 -4.19 0.00 5.66 -1.16 -4.71 114.28 104.61 2h5x n THR 37 Ca -0.11 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.57 2h5x n THR 37 Cb 0.25 -0.82 -0.08 0.00 -1.55 0.00 0.00 70.33 68.14 2h5x n THR 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2h5x s LEU 38 N -1.62 3.70 -0.03 1.09 1.02 -1.13 -5.12 118.68 116.59 2h5x s LEU 38 Ca 0.00 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.23 2h5x s LEU 38 Cb 0.00 -2.15 0.01 0.00 0.02 0.00 0.00 46.19 44.07 2h5x s LEU 38 CO 0.00 0.27 -0.08 -0.13 0.02 0.00 0.00 176.35 176.43 2h5x s ARG 39 N -1.68 0.92 0.77 1.70 3.00 -1.26 -5.03 118.95 117.36 2h5x s ARG 39 Ca 0.21 -0.27 -0.14 0.00 0.00 0.00 0.00 55.73 55.53 2h5x s ARG 39 Cb -0.12 -0.86 0.06 0.00 0.00 0.00 0.00 34.95 34.03 2h5x s ARG 39 CO 0.12 0.08 1.20 -1.14 0.00 0.00 0.00 175.30 175.57 2h5x s GLN 40 N 0.28 1.92 -1.79 3.54 0.74 -1.26 -2.84 119.66 120.25 2h5x s GLN 40 Ca -0.04 1.72 0.00 0.00 0.05 0.00 0.00 55.36 57.09 2h5x s GLN 40 Cb -0.09 -1.81 0.00 0.00 1.10 0.00 0.00 33.01 32.21 2h5x s GLN 40 CO 0.00 -1.99 0.00 0.41 -0.55 0.00 0.00 175.29 173.16 2h5x n GLY 41 N 0.34 0.68 3.31 2.59 0.00 -0.01 -4.94 105.19 107.16 2h5x n GLY 41 Ca 0.13 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2h5x n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h5x s THR 42 N -2.82 1.57 -0.01 2.61 2.01 -1.13 -4.91 115.64 112.96 2h5x s THR 42 Ca 0.00 -2.10 -0.22 0.00 0.31 0.00 0.00 61.69 59.68 2h5x s THR 42 Cb 0.00 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 2h5x s THR 42 CO 0.00 -0.59 0.65 -0.70 -0.69 0.00 0.00 174.62 173.29 2h5x s GLU 43 N -3.49 4.39 0.10 4.92 2.56 -1.26 0.24 118.70 126.16 2h5x s GLU 43 Ca 0.19 0.82 -0.11 0.00 0.00 0.00 0.00 54.97 55.88 2h5x s GLU 43 Cb -0.01 -3.38 0.01 0.00 2.00 0.00 0.00 34.13 32.75 2h5x s GLU 43 CO 0.05 0.27 0.26 0.00 -0.56 0.00 0.00 175.26 175.28 2h5x s ALA 44 N 0.11 -0.42 -0.03 6.30 0.00 0.16 -4.93 121.76 122.96 2h5x s ALA 44 Ca 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.83 2h5x s ALA 44 Cb -0.18 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.53 2h5x s ALA 44 CO 0.18 -0.56 0.00 0.50 0.00 0.00 0.00 175.76 175.89 2h5x s ARG 45 N -3.85 0.26 -0.06 0.00 3.52 -1.26 -0.33 118.95 117.24 2h5x s ARG 45 Ca 0.05 0.07 0.05 0.00 -0.13 0.00 0.00 55.73 55.78 2h5x s ARG 45 Cb 0.04 -0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 32.98 2h5x s ARG 45 CO -0.11 -0.12 -0.22 -0.51 -0.81 0.00 0.00 175.30 173.53 2h5x s LEU 46 N 0.94 2.02 -0.07 -0.88 1.43 -0.57 -4.92 118.68 116.63 2h5x s LEU 46 Ca -0.09 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.24 2h5x s LEU 46 Cb -0.13 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 2h5x s LEU 46 CO -0.02 0.21 1.17 -0.63 0.23 0.00 0.00 176.35 177.32 2h5x s ILE 47 N -0.06 4.34 0.36 -0.59 -1.09 0.80 -2.58 121.20 122.38 2h5x s ILE 47 Ca -0.05 1.65 0.08 0.00 -2.23 0.00 0.00 60.65 60.11 2h5x s ILE 47 Cb -0.13 -4.06 -0.06 0.00 -1.58 0.00 0.00 42.46 36.63 2h5x s ILE 47 CO 0.04 -0.01 0.06 0.42 -1.23 0.00 0.00 174.94 174.21 2h5x s THR 48 N 2.27 2.53 -0.25 2.92 -4.23 -0.29 0.95 115.64 119.55 2h5x s THR 48 Ca 0.55 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2h5x s THR 48 Cb -0.23 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.81 2h5x s THR 48 CO 0.21 -0.14 0.04 0.00 -0.54 0.00 0.00 174.62 174.19 2h5x s ALA 49 N -2.55 1.40 -0.38 3.99 0.00 0.35 -4.58 121.76 119.99 2h5x s ALA 49 Ca 0.36 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 2h5x s ALA 49 Cb 0.02 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.75 2h5x s ALA 49 CO 0.20 -1.36 0.74 1.41 0.00 0.00 0.00 175.76 176.75 2h5x s MET 50 N 1.67 3.63 -0.33 0.00 1.75 -1.26 -2.37 119.30 122.40 2h5x s MET 50 Ca 0.02 0.12 -0.13 0.00 -1.25 0.00 0.00 55.69 54.45 2h5x s MET 50 Cb -0.17 -3.85 -0.02 0.00 2.84 0.00 0.00 34.83 33.63 2h5x s MET 50 CO -0.14 -0.89 0.24 0.42 -0.65 0.00 0.00 175.02 174.00 2h5x s ILE 51 N 3.03 5.29 -0.17 10.11 -1.09 -0.45 -4.44 121.20 133.47 2h5x s ILE 51 Ca 0.29 -0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.47 2h5x s ILE 51 Cb -0.13 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 2h5x s ILE 51 CO 0.18 0.04 0.19 -0.69 -1.23 0.00 0.00 174.94 173.42 2h5x s VAL 52 N 1.75 5.38 0.12 2.92 1.01 -1.26 -1.79 120.40 128.51 2h5x s VAL 52 Ca 0.07 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 2h5x s VAL 52 Cb -0.17 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2h5x s VAL 52 CO 0.11 0.45 0.02 -0.60 0.00 0.00 0.00 175.10 175.07 2h5x s ARG 53 N 0.22 0.87 0.19 2.72 6.06 0.13 -5.00 118.95 124.14 2h5x s ARG 53 Ca 0.12 -1.39 -0.19 0.00 -2.50 0.00 0.00 55.73 51.76 2h5x s ARG 53 Cb -0.12 0.11 0.14 0.00 0.06 0.00 0.00 34.95 35.15 2h5x s ARG 53 CO 0.01 -0.18 1.60 1.49 -2.50 0.00 0.00 175.30 175.72 2h5x h GLU 54 N 2.91 -0.13 -0.46 5.12 4.81 -2.06 -2.39 114.58 122.38 2h5x h GLU 54 Ca -0.35 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 58.73 2h5x h GLU 54 Cb 1.18 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.50 2h5x h GLU 54 CO 0.62 -0.09 0.08 -0.25 -0.73 0.00 0.00 179.01 178.64 2h5x n ASP 55 N -5.43 3.49 -3.51 1.04 8.00 -1.26 -5.00 116.55 113.88 2h5x n ASP 55 Ca 0.05 -3.41 -0.12 0.00 0.71 0.00 0.00 54.79 52.01 2h5x n ASP 55 Cb 0.35 -0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 2h5x n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2h5x s SER 56 N -1.95 -0.49 -0.26 -2.24 1.04 -0.90 -5.11 113.70 103.78 2h5x s SER 56 Ca 0.47 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 57.17 2h5x s SER 56 Cb 0.40 0.46 0.12 0.00 0.10 0.00 0.00 66.02 67.09 2h5x s SER 56 CO 0.06 -0.63 0.25 -0.04 0.98 0.00 0.00 173.24 173.86 2h5x s MET 57 N -2.28 0.26 0.04 4.02 -1.94 -1.26 0.19 119.30 118.33 2h5x s MET 57 Ca -0.02 -0.09 0.09 0.00 -1.71 0.00 0.00 55.69 53.96 2h5x s MET 57 Cb -0.01 -0.91 -0.03 0.00 2.01 0.00 0.00 34.83 35.90 2h5x s MET 57 CO -0.02 -0.91 -0.25 0.99 -0.01 0.00 0.00 175.02 174.82 2h5x s THR 58 N 2.31 2.02 -0.08 2.05 2.01 -0.74 -4.98 115.64 118.23 2h5x s THR 58 Ca 0.09 -1.32 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 2h5x s THR 58 Cb -0.15 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 2h5x s THR 58 CO -0.27 0.35 0.03 -0.76 -0.69 0.00 0.00 174.62 173.28 2h5x s LEU 59 N -1.17 3.75 -0.13 4.42 1.43 -1.26 -1.34 118.68 124.37 2h5x s LEU 59 Ca 0.11 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 2h5x s LEU 59 Cb -0.10 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.24 2h5x s LEU 59 CO 0.02 0.37 -0.12 -0.31 0.23 0.00 0.00 176.35 176.54 2h5x s TYR 60 N -0.94 1.86 0.12 0.29 1.51 -1.00 -1.36 117.35 117.84 2h5x s TYR 60 Ca 0.15 -0.99 0.07 0.00 -1.01 0.00 0.00 57.07 55.28 2h5x s TYR 60 Cb -0.11 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.27 2h5x s TYR 60 CO 0.04 -0.59 -0.07 0.20 -1.11 0.00 0.00 175.55 174.02 2h5x s GLY 61 N 1.53 1.80 0.20 0.71 0.00 0.96 -0.50 107.32 112.01 2h5x s GLY 61 Ca 0.04 -1.27 -0.03 0.00 0.00 0.00 0.00 44.72 43.45 2h5x s GLY 61 CO -0.09 -1.26 0.19 -1.36 0.00 0.00 0.00 173.10 170.58 2h5x s PHE 62 N -1.36 0.95 0.27 1.90 0.40 0.27 -4.54 117.98 115.87 2h5x s PHE 62 Ca 0.23 -1.22 0.03 0.00 -0.60 0.00 0.00 56.93 55.37 2h5x s PHE 62 Cb -0.11 -0.39 0.39 0.00 0.51 0.00 0.00 43.02 43.42 2h5x s PHE 62 CO 0.15 -0.69 1.69 -1.35 0.70 0.00 0.00 175.22 175.72 2h5x h PRO 63 N 2.58 0.43 -4.19 0.24 0.11 -1.91 0.23 132.00 129.49 2h5x h PRO 63 Ca -0.34 -0.18 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 2h5x h PRO 63 Cb 1.24 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 2h5x h PRO 63 CO 0.50 0.71 -0.57 0.16 -0.21 0.00 0.00 178.00 178.58 2h5x s ASP 64 N -6.84 0.31 0.20 -2.05 1.47 -1.26 -4.68 116.67 103.82 2h5x s ASP 64 Ca -0.06 -1.00 -0.11 0.00 1.18 0.00 0.00 52.55 52.56 2h5x s ASP 64 Cb 0.13 0.29 0.21 0.00 -0.34 0.00 0.00 42.92 43.21 2h5x s ASP 64 CO 0.79 -0.70 1.78 1.23 0.68 0.00 0.00 175.17 178.95 2h5x h GLY 65 N 2.91 0.84 -0.30 2.12 0.00 -1.94 -2.14 103.07 104.56 2h5x h GLY 65 Ca -0.34 -0.19 0.07 0.00 0.00 0.00 0.00 47.33 46.86 2h5x h GLY 65 CO 0.60 0.10 -0.44 0.83 0.00 0.00 0.00 176.54 177.63 2h5x h GLU 66 N 0.54 -0.32 -0.83 4.80 3.07 -2.00 -0.24 114.58 119.61 2h5x h GLU 66 Ca 0.27 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 2h5x h GLU 66 Cb 0.21 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 2h5x h GLU 66 CO -0.20 -0.21 0.40 1.15 -1.40 0.00 0.00 179.01 178.75 2h5x h THR 67 N -0.33 1.26 -0.01 1.13 2.02 -1.90 -2.21 112.91 112.87 2h5x h THR 67 Ca 0.13 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2h5x h THR 67 Cb 0.59 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2h5x h THR 67 CO -0.58 0.31 -0.16 -0.09 0.37 0.00 0.00 175.52 175.37 2h5x h ARG 68 N 1.18 0.01 0.00 6.66 1.12 -0.61 -2.17 114.38 120.57 2h5x h ARG 68 Ca 0.29 -0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.90 2h5x h ARG 68 Cb 0.11 -0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.09 2h5x h ARG 68 CO -0.04 0.17 -1.02 -0.44 -3.11 0.00 0.00 179.97 175.54 2h5x h ASP 69 N 0.01 0.79 -0.11 -3.80 3.32 -0.50 -3.00 116.42 113.14 2h5x h ASP 69 Ca 0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 57.03 56.38 2h5x h ASP 69 Cb 0.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2h5x h ASP 69 CO 0.02 1.44 -0.00 0.25 -1.72 0.00 0.00 179.24 179.22 2h5x h LEU 70 N 0.34 0.28 -0.04 1.55 5.85 -1.03 -1.59 115.31 120.69 2h5x h LEU 70 Ca -0.12 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2h5x h LEU 70 Cb 1.67 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2h5x h LEU 70 CO 0.19 0.34 0.02 0.15 -0.34 0.00 0.00 178.44 178.81 2h5x h PHE 71 N 0.31 0.05 -0.37 1.25 3.57 -1.30 -2.27 116.94 118.16 2h5x h PHE 71 Ca 0.07 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 2h5x h PHE 71 Cb 0.22 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2h5x h PHE 71 CO 0.00 0.09 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.10 2h5x h LEU 72 N -0.01 0.56 -1.57 0.59 3.38 -1.30 -2.41 115.31 114.54 2h5x h LEU 72 Ca 0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2h5x h LEU 72 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2h5x h LEU 72 CO -0.00 0.63 -0.02 0.74 0.09 0.00 0.00 178.44 179.87 2h5x h THR 73 N 0.56 1.13 -0.23 0.22 2.02 -1.02 -1.57 112.91 114.02 2h5x h THR 73 Ca 0.12 -0.50 -0.15 0.00 0.77 0.00 0.00 66.41 66.66 2h5x h THR 73 Cb 0.36 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2h5x h THR 73 CO 0.01 0.16 -0.46 -0.07 0.37 0.00 0.00 175.52 175.54 2h5x h LEU 74 N 0.24 0.64 -1.65 2.58 3.38 -0.90 -2.91 115.31 116.70 2h5x h LEU 74 Ca 0.06 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2h5x h LEU 74 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2h5x h LEU 74 CO 0.01 1.00 -0.19 -0.07 0.09 0.00 0.00 178.44 179.28 2h5x h LEU 75 N 0.47 0.00 0.00 1.67 3.38 -1.18 -1.77 115.31 117.88 2h5x h LEU 75 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2h5x h LEU 75 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2h5x h LEU 75 CO 0.09 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.27 2h5x n SER 76 N -4.22 0.00 -4.75 -0.43 3.41 -0.98 -4.65 113.62 101.99 2h5x n SER 76 Ca -0.02 0.02 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2h5x n SER 76 Cb 0.25 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 2h5x n SER 76 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2h5x s VAL 77 N -2.45 5.28 0.23 -3.33 1.01 -0.67 -5.03 120.40 115.44 2h5x s VAL 77 Ca 0.12 0.57 -0.31 0.00 0.00 0.00 0.00 61.98 62.37 2h5x s VAL 77 Cb 0.08 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.68 2h5x s VAL 77 CO 0.17 0.43 1.16 -0.24 0.00 0.00 0.00 175.10 176.62 2h5x n SER 78 N 3.22 1.63 0.00 3.32 2.88 -1.26 -1.62 113.62 121.79 2h5x n SER 78 Ca -0.13 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2h5x n SER 78 Cb 0.52 -1.28 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2h5x n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2h5x n GLY 79 N 1.77 3.02 3.51 0.46 0.00 -1.26 -4.99 105.19 107.70 2h5x n GLY 79 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2h5x n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h5x s VAL 80 N -1.41 5.09 0.31 1.61 1.01 -0.64 -5.07 120.40 121.31 2h5x s VAL 80 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2h5x s VAL 80 Cb 0.00 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.45 2h5x s VAL 80 CO 0.00 -0.32 0.38 0.61 0.00 0.00 0.00 175.10 175.77 2h5x n GLY 81 N 5.03 2.19 0.19 4.51 0.00 -1.26 -4.42 105.19 111.43 2h5x n GLY 81 Ca -0.07 -2.20 -0.06 0.00 0.00 0.00 0.00 46.02 43.69 2h5x n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2h5x h PRO 82 N 0.00 0.45 -0.25 1.61 0.11 -1.97 -1.39 132.00 130.57 2h5x h PRO 82 Ca -0.16 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.98 2h5x h PRO 82 Cb 0.68 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.63 2h5x h PRO 82 CO 0.23 0.30 -0.12 0.00 -0.21 0.00 0.00 178.00 178.20 2h5x h ARG 83 N 0.47 -0.08 -0.08 1.05 3.08 -1.99 -0.58 114.38 116.24 2h5x h ARG 83 Ca 0.19 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 2h5x h ARG 83 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2h5x h ARG 83 CO -0.12 -0.06 -0.47 1.25 -1.07 0.00 0.00 179.97 179.51 2h5x h LEU 84 N -0.09 0.22 -0.70 3.04 5.85 -1.94 -1.05 115.31 120.65 2h5x h LEU 84 Ca 0.13 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2h5x h LEU 84 Cb 0.29 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2h5x h LEU 84 CO -0.30 0.66 0.27 0.00 -0.34 0.00 0.00 178.44 178.72 2h5x h ALA 85 N 1.35 0.90 -0.40 1.25 0.00 -0.64 0.43 119.26 122.15 2h5x h ALA 85 Ca 0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2h5x h ALA 85 Cb 0.89 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2h5x h ALA 85 CO 0.07 0.54 -0.19 0.52 0.00 0.00 0.00 179.25 180.19 2h5x h MET 86 N 1.00 0.83 0.00 0.00 2.86 -0.82 -2.44 114.93 116.36 2h5x h MET 86 Ca 0.23 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2h5x h MET 86 Cb 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.86 2h5x h MET 86 CO -0.02 0.99 -0.00 0.00 1.06 0.00 0.00 176.91 178.94 2h5x h ALA 87 N 0.81 -0.01 -0.59 6.32 0.00 -0.93 0.53 119.26 125.40 2h5x h ALA 87 Ca 0.09 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2h5x h ALA 87 Cb 0.74 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 2h5x h ALA 87 CO 0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 179.25 178.86 2h5x h ALA 88 N 0.84 0.54 0.00 0.00 0.00 -0.88 0.13 119.26 119.89 2h5x h ALA 88 Ca -0.00 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2h5x h ALA 88 Cb 0.16 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2h5x h ALA 88 CO 0.00 -0.40 -0.27 -0.07 0.00 0.00 0.00 179.25 178.51 2h5x h LEU 89 N 0.09 0.00 -0.46 0.00 3.38 -1.00 0.43 115.31 117.77 2h5x h LEU 89 Ca 0.30 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.10 2h5x h LEU 89 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2h5x h LEU 89 CO -0.52 0.27 -0.58 0.00 0.09 0.00 0.00 178.44 177.70 2h5x h ALA 90 N 1.73 0.63 0.00 1.53 0.00 0.15 -3.14 119.26 120.16 2h5x h ALA 90 Ca -0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 2h5x h ALA 90 Cb 0.50 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2h5x h ALA 90 CO 0.04 0.70 -1.08 0.28 0.00 0.00 0.00 179.25 179.18 2h5x h VAL 91 N 0.45 1.62 -3.23 0.00 2.07 -0.92 -3.44 116.25 112.79 2h5x h VAL 91 Ca 0.00 -3.35 -0.48 0.00 0.82 0.00 0.00 66.70 63.69 2h5x h VAL 91 Cb 1.14 2.80 -0.37 0.00 -1.52 0.00 0.00 31.29 33.35 2h5x h VAL 91 CO 0.11 0.92 -0.79 -1.00 0.02 0.00 0.00 177.57 176.84 2h5x s HIS 92 N -2.70 1.09 0.75 1.57 3.76 0.12 -5.06 115.29 114.83 2h5x s HIS 92 Ca 0.00 -0.46 -0.14 0.00 -0.15 0.00 0.00 55.06 54.32 2h5x s HIS 92 Cb 0.10 -1.01 0.05 0.00 1.11 0.00 0.00 32.58 32.83 2h5x s HIS 92 CO 0.82 -0.41 1.19 0.34 -0.85 0.00 0.00 174.74 175.83 2h5x s ASP 93 N 1.77 4.07 0.24 1.40 2.15 -1.25 -4.17 116.67 120.88 2h5x s ASP 93 Ca 0.04 2.30 -0.13 0.00 0.43 0.00 0.00 52.55 55.20 2h5x s ASP 93 Cb -0.13 -2.58 0.32 0.00 -0.30 0.00 0.00 42.92 40.24 2h5x s ASP 93 CO -0.06 -2.35 1.58 0.00 -0.17 0.00 0.00 175.17 174.17 2h5x h ALA 94 N -0.52 0.43 -0.31 3.66 0.00 -1.96 0.36 119.26 120.91 2h5x h ALA 94 Ca -0.47 0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2h5x h ALA 94 Cb 1.29 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 2h5x h ALA 94 CO 0.49 -0.47 0.08 -1.35 0.00 0.00 0.00 179.25 178.00 2h5x h PRO 95 N -0.02 0.20 -0.05 0.00 0.11 -2.00 -0.83 132.00 129.41 2h5x h PRO 95 Ca 0.38 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 2h5x h PRO 95 Cb 0.62 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 2h5x h PRO 95 CO -0.88 0.13 -0.07 0.00 -0.21 0.00 0.00 178.00 176.97 2h5x h ALA 96 N 1.21 0.07 -0.95 -0.75 0.00 -1.55 -2.87 119.26 114.43 2h5x h ALA 96 Ca 0.14 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.92 2h5x h ALA 96 Cb 0.13 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2h5x h ALA 96 CO -0.17 -0.10 0.60 1.25 0.00 0.00 0.00 179.25 180.83 2h5x h LEU 97 N -0.35 0.70 -0.56 0.00 6.46 -0.25 0.14 115.31 121.45 2h5x h LEU 97 Ca 0.01 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2h5x h LEU 97 Cb 0.61 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 2h5x h LEU 97 CO 0.02 0.32 0.27 0.03 -0.62 0.00 0.00 178.44 178.46 2h5x h ARG 98 N 0.72 0.81 -0.09 1.25 3.08 -1.08 -1.79 114.38 117.27 2h5x h ARG 98 Ca 0.50 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 2h5x h ARG 98 Cb 0.80 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2h5x h ARG 98 CO -0.26 0.66 -0.05 -0.56 -1.07 0.00 0.00 179.97 178.69 2h5x h GLN 99 N 0.76 0.20 -0.83 0.04 3.07 -0.71 0.79 115.11 118.43 2h5x h GLN 99 Ca 0.19 -0.09 0.17 0.00 0.09 0.00 0.00 58.65 59.02 2h5x h GLN 99 Cb 0.12 -0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.56 2h5x h GLN 99 CO -0.02 0.56 0.35 0.28 0.09 0.00 0.00 178.83 180.08 2h5x h VAL 100 N -0.17 0.58 0.44 1.86 2.07 -0.71 1.70 116.25 122.01 2h5x h VAL 100 Ca 0.02 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2h5x h VAL 100 Cb 0.51 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2h5x h VAL 100 CO 0.01 0.08 -0.21 -0.07 0.02 0.00 0.00 177.57 177.41 2h5x h LEU 101 N 0.44 -0.50 -0.85 2.57 4.07 -1.21 0.42 115.31 120.26 2h5x h LEU 101 Ca 0.48 -0.00 0.16 0.00 0.08 0.00 0.00 57.88 58.60 2h5x h LEU 101 Cb 0.80 0.13 -0.10 0.00 1.08 0.00 0.00 40.66 42.57 2h5x h LEU 101 CO -0.46 -0.07 0.41 0.00 -1.08 0.00 0.00 178.44 177.24 2h5x h ALA 102 N -1.10 1.29 0.00 1.53 0.00 -0.19 0.63 119.26 121.41 2h5x h ALA 102 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2h5x h ALA 102 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2h5x h ALA 102 CO 0.10 -0.17 0.00 -0.25 0.00 0.00 0.00 179.25 178.93 2h5x n ASP 103 N -4.93 0.00 -3.48 0.00 9.92 0.57 -4.93 116.55 113.70 2h5x n ASP 103 Ca 0.18 0.16 -0.19 0.00 -0.53 0.00 0.00 54.79 54.41 2h5x n ASP 103 Cb 0.49 -0.38 0.07 0.00 -0.64 0.00 0.00 41.12 40.66 2h5x n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2h5x n GLY 104 N 1.10 -0.54 3.40 0.44 0.00 0.22 -4.93 105.19 104.88 2h5x n GLY 104 Ca 0.10 0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.90 2h5x n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h5x s ASN 105 N -4.11 7.19 0.44 1.61 3.84 0.13 -4.88 114.94 119.15 2h5x s ASN 105 Ca 0.12 -3.27 0.19 0.00 0.21 0.00 0.00 52.86 50.11 2h5x s ASN 105 Cb -0.02 -2.31 1.13 0.00 -0.55 0.00 0.00 41.25 39.50 2h5x s ASN 105 CO 0.76 -0.53 1.88 0.58 -2.79 0.00 0.00 177.10 177.00 2h5x h VAL 106 N 4.21 0.69 -0.10 -5.21 2.07 -1.91 -2.44 116.25 113.55 2h5x h VAL 106 Ca 0.25 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2h5x h VAL 106 Cb 0.88 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2h5x h VAL 106 CO 1.13 0.06 0.04 0.00 0.02 0.00 0.00 177.57 178.82 2h5x h ALA 107 N 1.62 0.14 0.49 1.67 0.00 -1.98 -2.30 119.26 118.90 2h5x h ALA 107 Ca 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2h5x h ALA 107 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2h5x h ALA 107 CO -0.14 -0.26 -0.23 0.00 0.00 0.00 0.00 179.25 178.61 2h5x h ALA 108 N 0.86 -0.66 -1.00 0.00 0.00 -1.86 -2.90 119.26 113.71 2h5x h ALA 108 Ca 0.03 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2h5x h ALA 108 Cb 0.19 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 2h5x h ALA 108 CO -0.00 -0.87 0.63 -0.07 0.00 0.00 0.00 179.25 178.94 2h5x h LEU 109 N -0.66 0.87 -2.70 0.00 3.38 -1.57 0.27 115.31 114.91 2h5x h LEU 109 Ca -0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h5x h LEU 109 Cb 0.50 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2h5x h LEU 109 CO 0.11 0.43 0.04 0.74 0.09 0.00 0.00 178.44 179.84 2h5x h THR 110 N 0.92 0.22 0.00 0.22 2.02 -1.20 0.86 112.91 115.95 2h5x h THR 110 Ca 0.52 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.70 2h5x h THR 110 Cb 0.62 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2h5x h THR 110 CO -0.29 0.00 0.00 0.03 0.37 0.00 0.00 175.52 175.63 2h5x h ARG 111 N 0.00 0.00 -6.27 6.66 3.08 -0.90 -3.42 114.38 113.53 2h5x h ARG 111 Ca 0.01 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.50 2h5x h ARG 111 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2h5x h ARG 111 CO -0.00 0.00 0.63 0.08 -1.07 0.00 0.00 179.97 179.61 2h5x s VAL 112 N -3.62 4.58 -0.03 2.04 1.01 0.29 -4.96 120.40 119.71 2h5x s VAL 112 Ca 0.01 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.57 2h5x s VAL 112 Cb 0.09 -4.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2h5x s VAL 112 CO 0.45 -0.01 2.04 -2.84 0.00 0.00 0.00 175.10 174.74 2h5x s PRO 113 N 2.15 3.86 0.00 2.72 0.02 -1.26 -1.88 135.00 140.61 2h5x s PRO 113 Ca 0.51 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.99 2h5x s PRO 113 Cb -0.20 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.09 2h5x s PRO 113 CO 0.19 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 2h5x n GLY 114 N 4.89 0.90 3.44 0.52 0.00 -1.26 -4.93 105.19 108.75 2h5x n GLY 114 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 2h5x n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2h5x s ILE 115 N -1.33 4.94 0.72 -0.61 1.01 -0.79 -5.01 121.20 120.14 2h5x s ILE 115 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 2h5x s ILE 115 Cb 0.00 -4.25 0.15 0.00 0.01 0.00 0.00 42.46 38.37 2h5x s ILE 115 CO 0.00 -0.74 0.99 0.61 0.00 0.00 0.00 174.94 175.79 2h5x n GLY 116 N 5.17 -0.13 0.14 6.18 0.00 -1.26 -4.20 105.19 111.10 2h5x n GLY 116 Ca -0.07 -1.90 -0.07 0.00 0.00 0.00 0.00 46.02 43.98 2h5x n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h5x h LYS 117 N 0.00 0.19 0.09 1.61 1.79 -1.95 0.30 116.57 118.60 2h5x h LYS 117 Ca -0.32 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2h5x h LYS 117 Cb 1.06 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2h5x h LYS 117 CO 0.30 0.12 -0.04 0.07 -1.08 0.00 0.00 179.45 178.82 2h5x h ARG 118 N 0.19 -0.11 -0.43 3.15 -0.00 -1.99 -1.87 114.38 113.32 2h5x h ARG 118 Ca 0.14 0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 60.11 2h5x h ARG 118 Cb 0.15 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.12 2h5x h ARG 118 CO -0.18 0.02 0.17 0.78 -0.00 0.00 0.00 179.97 180.76 2h5x h GLY 119 N -0.22 0.64 0.85 0.08 0.00 -1.85 -1.72 103.07 100.85 2h5x h GLY 119 Ca -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2h5x h GLY 119 CO 0.02 0.29 -0.00 0.00 0.00 0.00 0.00 176.54 176.85 2h5x h ALA 120 N 1.59 0.34 -0.94 3.60 0.00 -0.26 -2.34 119.26 121.24 2h5x h ALA 120 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2h5x h ALA 120 Cb 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2h5x h ALA 120 CO -0.01 0.08 0.60 0.93 0.00 0.00 0.00 179.25 180.84 2h5x h GLU 121 N 0.22 1.26 0.11 0.00 5.08 -0.79 -0.38 114.58 120.10 2h5x h GLU 121 Ca 0.07 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2h5x h GLU 121 Cb 0.42 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2h5x h GLU 121 CO 0.01 0.86 -0.08 0.00 -1.00 0.00 0.00 179.01 178.81 2h5x h ARG 122 N 1.29 -0.18 -0.68 2.33 3.08 -1.20 0.34 114.38 119.36 2h5x h ARG 122 Ca 0.34 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.46 2h5x h ARG 122 Cb -0.10 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 2h5x h ARG 122 CO -0.07 -0.12 0.38 0.52 -1.07 0.00 0.00 179.97 179.61 2h5x h MET 123 N -0.19 0.68 -0.86 0.04 2.86 -1.00 0.30 114.93 116.77 2h5x h MET 123 Ca -0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2h5x h MET 123 Cb 0.17 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2h5x h MET 123 CO 0.00 0.45 0.50 0.28 1.06 0.00 0.00 176.91 179.21 2h5x h VAL 124 N 0.70 1.24 0.14 -2.22 2.07 -0.61 0.07 116.25 117.64 2h5x h VAL 124 Ca 0.30 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2h5x h VAL 124 Cb 0.19 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2h5x h VAL 124 CO -0.18 0.26 -0.07 0.25 0.02 0.00 0.00 177.57 177.85 2h5x h LEU 125 N 1.19 -0.16 -0.40 2.57 5.85 0.11 0.10 115.31 124.58 2h5x h LEU 125 Ca 0.31 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2h5x h LEU 125 Cb -0.02 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2h5x h LEU 125 CO -0.05 0.21 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.10 2h5x h GLU 126 N -0.54 0.00 0.00 1.25 4.81 -0.44 -3.35 114.58 116.31 2h5x h GLU 126 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2h5x h GLU 126 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2h5x h GLU 126 CO 0.03 0.07 -1.46 1.28 -0.73 0.00 0.00 179.01 178.21 2h5x n LEU 127 N -3.13 0.00 -0.10 1.64 4.77 0.00 -4.56 117.00 115.63 2h5x n LEU 127 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 2h5x n LEU 127 Cb 0.50 0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2h5x n LEU 127 CO 0.33 0.04 0.14 -1.14 -1.33 0.00 0.00 177.39 175.43 2h5x n ARG 128 N -1.91 -0.06 0.02 3.23 0.63 0.36 0.11 116.66 119.04 2h5x n ARG 128 Ca -0.04 0.38 -0.17 0.00 -0.92 0.00 0.00 57.85 57.10 2h5x n ARG 128 Cb 0.34 -0.57 -0.14 0.00 0.45 0.00 0.00 32.46 32.54 2h5x n ARG 128 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 2h5x h ASP 129 N 0.00 0.33 0.00 6.15 2.03 -1.85 -3.38 116.42 119.69 2h5x h ASP 129 Ca 0.08 -0.60 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 2h5x h ASP 129 Cb 0.14 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2h5x h ASP 129 CO -0.25 1.53 0.00 0.29 -1.03 0.00 0.00 179.24 179.78 2h5x n LYS 130 N -3.38 0.00 -4.06 4.15 4.76 0.30 -4.52 118.16 115.42 2h5x n LYS 130 Ca -0.23 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.88 2h5x n LYS 130 Cb 1.05 -1.05 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 2h5x n LYS 130 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2h5x s VAL 131 N -1.54 2.38 0.00 -0.18 -7.23 -1.13 -5.03 120.40 107.67 2h5x s VAL 131 Ca 0.00 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2h5x s VAL 131 Cb 0.00 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2h5x s VAL 131 CO 0.00 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 2h5x n GLY 132 N 4.61 2.78 0.00 2.32 0.00 -1.26 -5.03 105.19 108.61 2h5x n GLY 132 Ca -0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2h5x n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h5x n ALA 146 N -3.00 0.00 0.00 4.61 0.00 -1.26 -5.24 120.51 115.63 2h5x n ALA 146 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2h5x n ALA 146 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2h5x n ALA 146 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2h5x n VAL 147 N 0.00 0.00 0.34 0.00 0.24 -1.26 -4.82 118.33 112.84 2h5x n VAL 147 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 2h5x n VAL 147 Cb 0.00 -0.12 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 2h5x n VAL 147 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2h5x h ARG 148 N 0.00 -0.89 -0.15 7.34 2.43 -1.99 -2.46 114.38 118.65 2h5x h ARG 148 Ca 0.00 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2h5x h ARG 148 Cb 0.18 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 2h5x h ARG 148 CO 0.00 -0.59 -0.13 0.77 -1.51 0.00 0.00 179.97 178.51 2h5x h SER 149 N -0.93 -0.40 -1.00 -3.80 0.02 -2.00 -2.20 113.55 103.24 2h5x h SER 149 Ca -0.08 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2h5x h SER 149 Cb 0.75 0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 2h5x h SER 149 CO 0.08 -0.17 0.65 -0.65 -1.14 0.00 0.00 176.83 175.60 2h5x h PRO 150 N -0.14 1.18 -0.20 3.45 0.11 -1.87 0.42 132.00 134.95 2h5x h PRO 150 Ca 0.10 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.09 2h5x h PRO 150 Cb 0.29 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2h5x h PRO 150 CO -0.24 0.78 -0.06 0.28 -0.21 0.00 0.00 178.00 178.56 2h5x h VAL 151 N 1.22 1.29 -0.43 3.15 2.07 -1.17 -0.14 116.25 122.24 2h5x h VAL 151 Ca 0.41 -1.07 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2h5x h VAL 151 Cb 0.08 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2h5x h VAL 151 CO -0.15 0.32 -0.06 -0.37 0.02 0.00 0.00 177.57 177.33 2h5x h VAL 152 N 0.10 1.25 -0.34 2.57 -1.51 -1.16 -1.55 116.25 115.60 2h5x h VAL 152 Ca 0.05 -1.07 0.01 0.00 -1.23 0.00 0.00 66.70 64.45 2h5x h VAL 152 Cb 0.52 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 2h5x h VAL 152 CO 0.02 0.37 0.22 -0.08 -1.23 0.00 0.00 177.57 176.87 2h5x h GLU 153 N 0.68 0.43 -0.77 5.19 4.81 -0.74 0.56 114.58 124.74 2h5x h GLU 153 Ca 0.12 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2h5x h GLU 153 Cb 0.51 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2h5x h GLU 153 CO 0.03 0.29 0.48 0.00 -0.73 0.00 0.00 179.01 179.07 2h5x h ALA 154 N 1.14 1.03 0.04 2.92 0.00 -0.69 0.17 119.26 123.87 2h5x h ALA 154 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2h5x h ALA 154 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2h5x h ALA 154 CO -0.04 0.24 -0.02 -0.07 0.00 0.00 0.00 179.25 179.36 2h5x h LEU 155 N 0.90 -0.04 -2.19 0.00 3.38 -0.21 -1.49 115.31 115.66 2h5x h LEU 155 Ca 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2h5x h LEU 155 Cb 0.09 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2h5x h LEU 155 CO -0.14 0.11 0.01 0.58 0.09 0.00 0.00 178.44 179.10 2h5x h VAL 156 N -0.19 0.79 0.00 1.22 2.07 0.48 0.42 116.25 121.03 2h5x h VAL 156 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2h5x h VAL 156 Cb 0.18 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2h5x h VAL 156 CO 0.01 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.83 2h5x h GLY 157 N 0.00 0.00 -2.71 2.17 0.00 0.41 -0.15 103.07 102.80 2h5x h GLY 157 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2h5x h GLY 157 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 2h5x n LEU 158 N -2.30 4.57 0.00 3.11 4.77 0.15 -4.93 117.00 122.36 2h5x n LEU 158 Ca 0.01 -2.54 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 2h5x n LEU 158 Cb 0.18 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2h5x n LEU 158 CO 0.17 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2h5x n GLY 159 N 0.76 1.61 3.75 -0.72 0.00 -0.07 -5.04 105.19 105.48 2h5x n GLY 159 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 2h5x n GLY 159 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h5x s PHE 160 N -2.44 2.36 0.01 1.61 0.08 -1.13 -4.96 117.98 113.50 2h5x s PHE 160 Ca 0.00 1.52 -0.30 0.00 0.12 0.00 0.00 56.93 58.27 2h5x s PHE 160 Cb 0.00 -3.48 -0.03 0.00 -0.57 0.00 0.00 43.02 38.93 2h5x s PHE 160 CO 0.00 -2.26 1.01 0.00 -0.10 0.00 0.00 175.22 173.87 2h5x s ALA 161 N -1.64 3.20 0.15 5.36 0.00 -1.26 -4.20 121.76 123.36 2h5x s ALA 161 Ca 0.77 0.58 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 2h5x s ALA 161 Cb -0.30 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 2h5x s ALA 161 CO 0.34 -0.26 1.36 0.00 0.00 0.00 0.00 175.76 177.20 2h5x n ALA 162 N 3.92 -0.52 -0.22 0.00 0.00 -1.26 0.42 120.51 122.84 2h5x n ALA 162 Ca 0.06 0.76 -0.02 0.00 0.00 0.00 0.00 53.44 54.25 2h5x n ALA 162 Cb 0.50 -0.15 0.05 0.00 0.00 0.00 0.00 19.45 19.85 2h5x n ALA 162 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2h5x h LYS 163 N 0.00 -0.06 -0.08 0.00 2.10 -1.99 0.89 116.57 117.44 2h5x h LYS 163 Ca 0.16 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.69 2h5x h LYS 163 Cb 0.38 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.71 2h5x h LYS 163 CO -0.83 -0.04 -0.48 0.37 -2.00 0.00 0.00 179.45 176.47 2h5x h GLN 164 N -0.06 0.19 -0.18 0.07 4.15 -1.24 -1.09 115.11 116.94 2h5x h GLN 164 Ca 0.30 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 2h5x h GLN 164 Cb 0.53 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2h5x h GLN 164 CO -0.70 0.63 0.01 0.00 -1.93 0.00 0.00 178.83 176.84 2h5x h ALA 165 N 1.35 0.25 0.14 3.38 0.00 0.35 -3.05 119.26 121.67 2h5x h ALA 165 Ca 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2h5x h ALA 165 Cb 0.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2h5x h ALA 165 CO 0.07 -0.05 -0.07 0.93 0.00 0.00 0.00 179.25 180.13 2h5x h GLU 166 N 0.08 -0.18 0.00 0.00 5.08 0.77 -2.49 114.58 117.84 2h5x h GLU 166 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2h5x h GLU 166 Cb 0.37 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2h5x h GLU 166 CO 0.01 0.00 0.01 0.39 -1.00 0.00 0.00 179.01 178.42 2h5x n GLU 167 N -5.10 0.00 -0.02 2.33 1.02 -0.43 -0.68 120.64 117.76 2h5x n GLU 167 Ca -0.09 0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 2h5x n GLU 167 Cb 0.15 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.03 2h5x n GLU 167 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h5x n ALA 168 N -1.06 1.96 -0.04 0.62 0.00 -1.10 -4.36 120.51 116.53 2h5x n ALA 168 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.03 2h5x n ALA 168 Cb 0.01 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 2h5x n ALA 168 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2h5x h THR 169 N 0.00 1.35 -0.98 0.00 2.02 -0.45 -2.32 112.91 112.53 2h5x h THR 169 Ca -0.09 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.29 2h5x h THR 169 Cb 1.01 2.09 -0.05 0.00 -1.74 0.00 0.00 68.15 69.47 2h5x h THR 169 CO 0.00 0.55 0.62 0.44 0.37 0.00 0.00 175.52 177.50 2h5x h ASP 170 N 0.21 1.15 -0.53 4.18 3.32 -1.42 0.22 116.42 123.55 2h5x h ASP 170 Ca -0.03 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2h5x h ASP 170 Cb 1.15 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 2h5x h ASP 170 CO 0.11 0.86 0.25 0.74 -1.72 0.00 0.00 179.24 179.47 2h5x h THR 171 N 1.34 1.20 -0.05 0.35 2.02 -1.74 -1.92 112.91 114.10 2h5x h THR 171 Ca 0.35 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 2h5x h THR 171 Cb -0.11 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2h5x h THR 171 CO -0.07 0.23 -0.05 0.58 0.37 0.00 0.00 175.52 176.58 2h5x h VAL 172 N 0.71 1.37 0.00 3.16 2.07 -0.82 -2.14 116.25 120.61 2h5x h VAL 172 Ca 0.18 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2h5x h VAL 172 Cb 0.13 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2h5x h VAL 172 CO -0.02 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.83 2h5x h LEU 173 N -0.32 0.00 0.00 2.57 3.38 -0.97 0.36 115.31 120.33 2h5x h LEU 173 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2h5x h LEU 173 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2h5x h LEU 173 CO 0.01 0.00 -0.59 0.00 0.09 0.00 0.00 178.44 177.96 2h5x h ALA 174 N 2.00 0.66 0.48 1.53 0.00 -1.14 -3.27 119.26 119.52 2h5x h ALA 174 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2h5x h ALA 174 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2h5x h ALA 174 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 2h5x h ALA 175 N 2.29 -1.08 -3.42 0.00 0.00 0.40 -3.44 119.26 114.01 2h5x h ALA 175 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.39 2h5x h ALA 175 Cb 0.86 0.25 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 2h5x h ALA 175 CO 0.00 -1.03 -0.77 0.54 0.00 0.00 0.00 179.25 177.99 2h5x s ASN 176 N -3.16 1.45 -0.06 0.00 4.22 -1.19 -5.12 114.94 111.09 2h5x s ASN 176 Ca -0.09 -0.56 -0.04 0.00 -2.14 0.00 0.00 52.86 50.02 2h5x s ASN 176 Cb 0.01 -0.04 -0.01 0.00 1.28 0.00 0.00 41.25 42.49 2h5x s ASN 176 CO 0.28 -0.08 -0.08 1.41 -2.04 0.00 0.00 177.10 176.59 2h5x n HIS 177 N 1.46 0.30 -2.00 1.54 8.25 -1.23 -4.32 115.22 119.22 2h5x n HIS 177 Ca -0.21 0.13 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 2h5x n HIS 177 Cb 0.54 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 2h5x n HIS 177 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2h5x s ASP 178 N -4.44 5.09 -0.02 0.41 1.11 -1.26 -4.88 116.67 112.67 2h5x s ASP 178 Ca -0.07 -0.19 0.03 0.00 0.18 0.00 0.00 52.55 52.50 2h5x s ASP 178 Cb 0.01 -2.55 -0.00 0.00 1.07 0.00 0.00 42.92 41.45 2h5x s ASP 178 CO 0.10 -2.68 -0.10 0.00 1.18 0.00 0.00 175.17 173.67 2h5x s ALA 179 N 10.08 0.91 0.65 5.23 0.00 -1.26 -5.12 121.76 132.24 2h5x s ALA 179 Ca 0.71 -0.39 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 2h5x s ALA 179 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2h5x s ALA 179 CO 0.09 0.17 0.94 0.25 0.00 0.00 0.00 175.76 177.21 2h5x n THR 180 N 3.15 3.43 -0.01 0.00 -2.24 -1.26 -4.73 114.28 112.62 2h5x n THR 180 Ca -0.17 -0.46 0.04 0.00 -2.27 0.00 0.00 64.05 61.19 2h5x n THR 180 Cb 0.55 -1.11 0.41 0.00 -2.10 0.00 0.00 70.33 68.08 2h5x n THR 180 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h5x h THR 181 N 0.18 1.11 -0.15 4.28 1.03 -1.96 -0.64 112.91 116.78 2h5x h THR 181 Ca -0.48 -0.20 -0.06 0.00 -0.01 0.00 0.00 66.41 65.66 2h5x h THR 181 Cb 1.36 0.47 -0.00 0.00 -1.07 0.00 0.00 68.15 68.91 2h5x h THR 181 CO 0.49 0.11 -0.13 0.77 -0.01 0.00 0.00 175.52 176.75 2h5x h SER 182 N 0.59 0.36 -0.70 0.00 4.64 -1.98 -2.27 113.55 114.18 2h5x h SER 182 Ca 0.16 -0.47 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 2h5x h SER 182 Cb -0.07 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 2h5x h SER 182 CO -0.03 0.75 0.46 -1.28 -0.87 0.00 0.00 176.83 175.86 2h5x h SER 183 N -0.02 0.72 0.18 4.97 0.87 -1.76 -0.60 113.55 117.91 2h5x h SER 183 Ca 0.03 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.43 2h5x h SER 183 Cb 0.64 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2h5x h SER 183 CO 0.03 0.49 -0.53 0.00 -0.53 0.00 0.00 176.83 176.29 2h5x h ALA 184 N 1.59 0.84 0.57 6.23 0.00 -1.04 -2.49 119.26 124.96 2h5x h ALA 184 Ca 0.28 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2h5x h ALA 184 Cb 0.07 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2h5x h ALA 184 CO -0.08 0.68 -0.28 1.25 0.00 0.00 0.00 179.25 180.83 2h5x h LEU 185 N 0.30 -0.65 -1.26 0.00 6.46 -0.55 -0.18 115.31 119.42 2h5x h LEU 185 Ca 0.01 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2h5x h LEU 185 Cb 1.03 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 2h5x h LEU 185 CO 0.09 -0.33 0.09 0.08 -0.62 0.00 0.00 178.44 177.76 2h5x h ARG 186 N -0.99 0.60 -0.68 1.25 0.11 -1.32 -1.18 114.38 112.17 2h5x h ARG 186 Ca -0.08 -0.10 -0.02 0.00 0.10 0.00 0.00 59.98 59.88 2h5x h ARG 186 Cb 0.65 -0.10 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 2h5x h ARG 186 CO 0.13 0.56 0.37 1.03 0.10 0.00 0.00 179.97 182.15 2h5x h SER 187 N 0.59 0.86 0.50 0.08 0.87 -1.37 -1.27 113.55 113.80 2h5x h SER 187 Ca 0.14 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 2h5x h SER 187 Cb 0.23 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2h5x h SER 187 CO -0.00 0.71 -0.30 0.00 -0.53 0.00 0.00 176.83 176.71 2h5x h ALA 188 N 1.18 1.25 -0.15 6.23 0.00 -0.25 -2.95 119.26 124.57 2h5x h ALA 188 Ca 0.24 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2h5x h ALA 188 Cb 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2h5x h ALA 188 CO -0.04 0.38 -0.16 -0.07 0.00 0.00 0.00 179.25 179.37 2h5x h LEU 189 N 0.00 0.40 -1.29 0.00 3.38 -0.13 -1.70 115.31 115.96 2h5x h LEU 189 Ca -0.00 -0.48 0.07 0.00 0.09 0.00 0.00 57.88 57.55 2h5x h LEU 189 Cb 0.64 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2h5x h LEU 189 CO 0.04 0.80 0.52 0.77 0.09 0.00 0.00 178.44 180.66 2h5x h SER 190 N 0.00 0.75 0.36 -0.43 4.64 -1.23 0.21 113.55 117.85 2h5x h SER 190 Ca 0.02 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 2h5x h SER 190 Cb 0.69 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2h5x h SER 190 CO 0.04 0.48 -0.35 0.25 -0.87 0.00 0.00 176.83 176.37 2h5x h LEU 191 N 0.85 0.00 0.00 5.97 5.85 -1.34 -2.70 115.31 123.93 2h5x h LEU 191 Ca 0.34 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 2h5x h LEU 191 Cb 0.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2h5x h LEU 191 CO -0.12 0.35 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.57 2h5x h LEU 192 N 0.00 0.00 -1.17 2.25 3.38 0.23 -3.03 115.31 116.98 2h5x h LEU 192 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h5x h LEU 192 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2h5x h LEU 192 CO 0.05 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.27 2h5x n GLY 193 N 1.18 0.49 0.00 0.83 0.00 0.32 -4.85 105.19 103.15 2h5x n GLY 193 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2h5x n GLY 193 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2h5x n LYS 194 N 0.43 3.71 0.00 1.61 0.00 -1.07 -5.05 118.16 117.78 2h5x n LYS 194 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2h5x n LYS 194 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.30 2h5x n LYS 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40