#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 4.28 -0.45 1.12 1.01 -1.26 -4.86 121.20 121.04 2h5x s ILE 2 Ca 0.00 1.47 0.21 0.00 0.00 0.00 0.00 60.65 62.33 2h5x s ILE 2 Cb 0.00 -4.23 -0.29 0.00 0.01 0.00 0.00 42.46 37.95 2h5x s ILE 2 CO 0.00 -0.44 0.66 0.00 0.00 0.00 0.00 174.94 175.16 2h5x n ALA 3 N 7.25 3.66 -3.61 9.38 0.00 -1.26 -3.80 120.51 132.12 2h5x n ALA 3 Ca 0.14 -0.55 -0.08 0.00 0.00 0.00 0.00 53.44 52.95 2h5x n ALA 3 Cb 0.47 -0.76 -0.06 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.85 -0.30 -0.03 0.00 1.04 -1.26 -0.32 113.70 108.99 2h5x s SER 4 Ca -0.01 0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.90 2h5x s SER 4 Cb 0.15 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 2h5x s SER 4 CO 0.89 -0.21 -0.22 -0.69 0.98 0.00 0.00 173.24 173.99 2h5x s VAL 5 N -0.64 1.74 -0.03 5.02 1.01 -0.82 -4.91 120.40 121.77 2h5x s VAL 5 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2h5x s VAL 5 Cb -0.02 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.93 2h5x s VAL 5 CO -0.04 0.49 0.01 -0.60 0.00 0.00 0.00 175.10 174.96 2h5x s ARG 6 N -0.40 0.27 0.00 2.72 3.52 -1.26 -1.42 118.95 122.38 2h5x s ARG 6 Ca 0.05 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.76 2h5x s ARG 6 Cb -0.10 -0.50 0.00 0.00 -1.56 0.00 0.00 34.95 32.79 2h5x s ARG 6 CO 0.00 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 2h5x n GLY 7 N 4.30 -0.92 3.75 8.12 0.00 -0.64 -4.34 105.19 115.47 2h5x n GLY 7 Ca -0.23 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.67 4.63 -0.35 1.61 2.12 -1.16 -0.77 118.70 124.09 2h5x s GLU 8 Ca 0.00 1.80 -0.27 0.00 0.36 0.00 0.00 54.97 56.86 2h5x s GLU 8 Cb 0.00 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.20 2h5x s GLU 8 CO 0.00 0.18 0.96 0.08 -0.54 0.00 0.00 175.26 175.94 2h5x s VAL 9 N -0.97 4.57 -0.10 3.70 1.01 0.50 -0.03 120.40 129.08 2h5x s VAL 9 Ca 0.46 1.36 0.16 0.00 0.00 0.00 0.00 61.98 63.95 2h5x s VAL 9 Cb -0.32 -4.35 -0.17 0.00 0.00 0.00 0.00 36.38 31.54 2h5x s VAL 9 CO 0.40 -0.50 0.73 0.18 0.00 0.00 0.00 175.10 175.91 2h5x n LEU 10 N 6.78 0.81 -3.57 3.92 4.77 0.52 -0.73 117.00 129.50 2h5x n LEU 10 Ca 0.08 0.37 -0.01 0.00 -0.03 0.00 0.00 56.01 56.42 2h5x n LEU 10 Cb 0.48 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2h5x n LEU 10 CO 0.58 0.23 0.40 -0.70 -1.33 0.00 0.00 177.39 176.57 2h5x s GLU 11 N -2.81 0.48 -0.25 3.23 2.12 -1.24 -4.87 118.70 115.36 2h5x s GLU 11 Ca -0.04 1.17 -0.11 0.00 0.36 0.00 0.00 54.97 56.35 2h5x s GLU 11 Cb 0.08 0.65 -0.05 0.00 0.26 0.00 0.00 34.13 35.08 2h5x s GLU 11 CO 0.82 -0.16 0.19 0.08 -0.54 0.00 0.00 175.26 175.65 2h5x s VAL 12 N 2.60 5.33 0.00 3.70 1.01 -1.26 -1.80 120.40 129.97 2h5x s VAL 12 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2h5x s VAL 12 Cb -0.09 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2h5x s VAL 12 CO -0.18 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.22 2h5x n ALA 13 N 4.58 0.00 0.50 5.51 0.00 0.65 -5.01 120.51 126.74 2h5x n ALA 13 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2h5x n ALA 13 Cb 0.52 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.09 0.00 5.85 -1.98 -3.38 115.31 114.71 2h5x h LEU 14 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 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 0.10 -0.02 -0.90 -0.34 0.00 0.00 178.44 177.29 2h5x n ASP 15 N -2.17 0.05 -3.60 1.25 5.75 -1.26 -4.39 116.55 112.17 2h5x n ASP 15 Ca 0.03 -1.06 -0.05 0.00 -0.01 0.00 0.00 54.79 53.69 2h5x n ASP 15 Cb 0.45 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.03 -0.21 0.31 2.11 -3.43 -1.26 -2.76 115.29 110.02 2h5x s HIS 16 Ca 0.00 0.04 0.03 0.00 -0.80 0.00 0.00 55.06 54.33 2h5x s HIS 16 Cb 0.00 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.67 2h5x s HIS 16 CO 0.00 -0.54 0.12 0.14 -2.00 0.00 0.00 174.74 172.46 2h5x s VAL 17 N -2.97 0.59 -0.19 -5.38 -7.23 -0.60 -0.26 120.40 104.36 2h5x s VAL 17 Ca 0.09 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2h5x s VAL 17 Cb -0.00 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.42 2h5x s VAL 17 CO -0.04 0.00 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.05 2h5x s VAL 18 N -3.54 0.88 -0.17 1.32 1.01 -0.75 -1.28 120.40 117.87 2h5x s VAL 18 Ca 0.35 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2h5x s VAL 18 Cb 0.06 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2h5x s VAL 18 CO 0.15 -0.09 0.03 -0.63 0.00 0.00 0.00 175.10 174.57 2h5x s ILE 19 N 1.70 4.48 -0.50 2.22 -1.09 -0.58 -0.36 121.20 127.09 2h5x s ILE 19 Ca -0.01 -0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.13 2h5x s ILE 19 Cb -0.17 -3.00 0.11 0.00 -1.58 0.00 0.00 42.46 37.82 2h5x s ILE 19 CO -0.07 0.47 0.42 -0.70 -1.23 0.00 0.00 174.94 173.83 2h5x s GLU 20 N 0.36 2.82 -0.38 2.79 2.12 0.95 -1.02 118.70 126.35 2h5x s GLU 20 Ca 0.01 -1.64 -0.14 0.00 0.36 0.00 0.00 54.97 53.56 2h5x s GLU 20 Cb -0.13 -4.13 0.01 0.00 0.26 0.00 0.00 34.13 30.14 2h5x s GLU 20 CO 0.01 -1.21 0.26 0.00 -0.54 0.00 0.00 175.26 173.79 2h5x s ALA 21 N 1.53 3.45 -1.23 6.30 0.00 -0.28 -3.01 121.76 128.54 2h5x s ALA 21 Ca 0.04 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.40 2h5x s ALA 21 Cb -0.27 -2.76 -0.00 0.00 0.00 0.00 0.00 23.12 20.09 2h5x s ALA 21 CO 0.03 -1.26 0.89 0.00 0.00 0.00 0.00 175.76 175.41 2h5x n ALA 22 N 5.11 -2.05 0.00 0.00 0.00 -1.26 -2.31 120.51 120.00 2h5x n ALA 22 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2h5x n ALA 22 Cb 0.48 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 -1.30 2.82 3.61 0.00 0.00 -1.26 -4.98 105.19 104.08 2h5x n GLY 23 Ca -0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.87 5.10 -0.52 1.61 1.01 -0.98 -5.02 120.40 120.73 2h5x s VAL 24 Ca 0.00 0.76 -0.22 0.00 0.00 0.00 0.00 61.98 62.52 2h5x s VAL 24 Cb 0.00 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.62 2h5x s VAL 24 CO 0.00 0.09 0.80 -0.83 0.00 0.00 0.00 175.10 175.16 2h5x s GLY 25 N 1.59 1.57 -0.05 4.51 0.00 -1.26 -1.12 107.32 112.56 2h5x s GLY 25 Ca 0.19 -1.37 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 2h5x s GLY 25 CO 0.10 1.79 0.43 -0.19 0.00 0.00 0.00 173.10 175.23 2h5x s TYR 26 N 3.36 3.64 -0.20 1.90 1.51 -0.19 -4.91 117.35 122.45 2h5x s TYR 26 Ca 0.25 0.94 -0.17 0.00 -1.01 0.00 0.00 57.07 57.08 2h5x s TYR 26 Cb -0.15 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.28 2h5x s TYR 26 CO 0.17 0.45 0.46 0.50 -1.11 0.00 0.00 175.55 176.02 2h5x s ARG 27 N -0.38 4.17 -0.08 -0.62 3.52 -1.26 -1.52 118.95 122.78 2h5x s ARG 27 Ca 0.24 0.30 0.03 0.00 -0.13 0.00 0.00 55.73 56.17 2h5x s ARG 27 Cb -0.16 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 2h5x s ARG 27 CO 0.12 -0.11 -0.16 0.14 -0.81 0.00 0.00 175.30 174.48 2h5x s VAL 28 N 1.52 1.44 0.33 7.11 -7.23 -0.40 -4.32 120.40 118.84 2h5x s VAL 28 Ca 0.21 -0.65 -0.25 0.00 -1.81 0.00 0.00 61.98 59.48 2h5x s VAL 28 Cb -0.15 -1.29 -0.10 0.00 0.56 0.00 0.00 36.38 35.40 2h5x s VAL 28 CO 0.09 0.42 0.94 0.20 -0.31 0.00 0.00 175.10 176.44 2h5x s ASN 29 N 0.60 7.29 0.37 4.85 0.02 -0.56 -1.56 114.94 125.97 2h5x s ASN 29 Ca -0.15 1.81 -0.13 0.00 -1.02 0.00 0.00 52.86 53.37 2h5x s ASN 29 Cb -0.16 -2.57 0.04 0.00 0.02 0.00 0.00 41.25 38.58 2h5x s ASN 29 CO 0.05 -0.09 0.72 0.00 0.02 0.00 0.00 177.10 177.80 2h5x s ALA 30 N -1.67 -0.44 0.17 0.60 0.00 -1.11 0.88 121.76 120.19 2h5x s ALA 30 Ca 0.51 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 2h5x s ALA 30 Cb -0.18 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 2h5x s ALA 30 CO 0.23 -0.95 0.37 0.95 0.00 0.00 0.00 175.76 176.36 2h5x s THR 31 N -2.50 5.21 0.31 0.00 -4.23 -1.26 -4.45 115.64 108.73 2h5x s THR 31 Ca 0.18 -0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2h5x s THR 31 Cb -0.04 -3.69 0.39 0.00 1.34 0.00 0.00 72.50 70.49 2h5x s THR 31 CO 0.13 -0.09 1.58 -0.65 -0.54 0.00 0.00 174.62 175.06 2h5x h PRO 32 N 2.32 0.03 0.22 3.99 0.11 -1.92 0.32 132.00 137.08 2h5x h PRO 32 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2h5x h PRO 32 Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2h5x h PRO 32 CO 0.70 0.02 -0.24 0.00 -0.21 0.00 0.00 178.00 178.28 2h5x h ALA 33 N 1.95 -0.47 -0.95 -0.75 0.00 -1.93 0.38 119.26 117.49 2h5x h ALA 33 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2h5x h ALA 33 Cb 1.36 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 2h5x h ALA 33 CO -0.86 -0.80 0.60 1.15 0.00 0.00 0.00 179.25 179.34 2h5x h THR 34 N -0.50 1.25 -0.07 0.00 2.02 -0.93 -1.87 112.91 112.82 2h5x h THR 34 Ca -0.00 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 2h5x h THR 34 Cb 0.47 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2h5x h THR 34 CO -0.06 0.26 -0.33 -0.07 0.37 0.00 0.00 175.52 175.68 2h5x h LEU 35 N 1.30 0.13 0.08 2.58 -0.00 -0.16 -3.26 115.31 115.98 2h5x h LEU 35 Ca 0.34 -0.05 0.01 0.00 -0.00 0.00 0.00 57.88 58.19 2h5x h LEU 35 Cb -0.10 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 40.48 2h5x h LEU 35 CO -0.07 0.47 -0.47 0.00 -0.00 0.00 0.00 178.44 178.37 2h5x h ALA 36 N 1.54 -0.94 0.00 1.53 0.00 0.63 -1.85 119.26 120.18 2h5x h ALA 36 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2h5x h ALA 36 Cb 0.65 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2h5x h ALA 36 CO 0.05 -1.06 0.28 0.25 0.00 0.00 0.00 179.25 178.77 2h5x n THR 37 N -5.10 0.78 -3.48 0.00 -2.24 -1.23 -4.67 114.28 98.33 2h5x n THR 37 Ca -0.07 0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 62.03 2h5x n THR 37 Cb 0.36 -1.66 -0.05 0.00 -2.10 0.00 0.00 70.33 66.88 2h5x n THR 37 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2h5x s LEU 38 N -3.55 4.27 -0.04 3.22 1.02 -0.70 -5.09 118.68 117.81 2h5x s LEU 38 Ca -0.01 0.87 0.00 0.00 0.02 0.00 0.00 54.13 55.01 2h5x s LEU 38 Cb 0.02 -3.36 0.03 0.00 0.02 0.00 0.00 46.19 42.90 2h5x s LEU 38 CO 0.07 0.05 -0.01 -0.13 0.02 0.00 0.00 176.35 176.35 2h5x s ARG 39 N -2.38 0.45 0.51 1.70 0.52 -1.26 -5.05 118.95 113.45 2h5x s ARG 39 Ca 0.41 0.04 -0.22 0.00 -0.52 0.00 0.00 55.73 55.43 2h5x s ARG 39 Cb -0.13 -0.62 -0.07 0.00 0.52 0.00 0.00 34.95 34.66 2h5x s ARG 39 CO 0.20 -0.14 1.24 0.94 0.02 0.00 0.00 175.30 177.56 2h5x n GLN 40 N 4.23 1.58 -0.96 3.54 7.27 -1.26 -2.05 117.38 129.73 2h5x n GLN 40 Ca -0.24 0.58 0.00 0.00 0.07 0.00 0.00 57.00 57.41 2h5x n GLN 40 Cb 0.50 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.75 2h5x n GLN 40 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2h5x n GLY 41 N 0.90 0.73 3.75 1.69 0.00 0.09 -4.95 105.19 107.40 2h5x n GLY 41 Ca 0.10 0.00 -0.26 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 -3.03 4.17 -0.07 2.61 2.01 -0.87 -4.82 115.64 115.64 2h5x s THR 42 Ca 0.00 -1.24 -0.23 0.00 0.31 0.00 0.00 61.69 60.53 2h5x s THR 42 Cb 0.00 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2h5x s THR 42 CO 0.00 -0.13 0.68 -0.70 -0.69 0.00 0.00 174.62 173.78 2h5x s GLU 43 N -3.09 4.43 0.04 4.92 -6.30 -1.26 -0.37 118.70 117.07 2h5x s GLU 43 Ca 0.30 0.85 -0.06 0.00 -2.50 0.00 0.00 54.97 53.55 2h5x s GLU 43 Cb -0.10 -3.44 -0.01 0.00 0.00 0.00 0.00 34.13 30.58 2h5x s GLU 43 CO 0.22 0.09 0.12 0.00 0.02 0.00 0.00 175.26 175.70 2h5x s ALA 44 N 0.74 -0.11 0.03 6.30 0.00 0.05 -4.95 121.76 123.81 2h5x s ALA 44 Ca 0.36 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2h5x s ALA 44 Cb -0.18 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2h5x s ALA 44 CO 0.18 -0.35 -0.19 0.50 0.00 0.00 0.00 175.76 175.90 2h5x s ARG 45 N -2.78 1.31 -0.03 0.00 3.52 -1.26 -1.62 118.95 118.09 2h5x s ARG 45 Ca -0.03 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 54.74 2h5x s ARG 45 Cb -0.00 -1.36 0.02 0.00 -1.56 0.00 0.00 34.95 32.05 2h5x s ARG 45 CO -0.05 0.35 0.05 -1.17 -0.81 0.00 0.00 175.30 173.67 2h5x s LEU 46 N -0.96 1.22 -0.27 -0.88 2.96 -0.51 -4.97 118.68 115.26 2h5x s LEU 46 Ca 0.06 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.78 2h5x s LEU 46 Cb -0.08 0.07 0.01 0.00 0.50 0.00 0.00 46.19 46.69 2h5x s LEU 46 CO 0.01 -0.10 1.08 -0.63 -1.32 0.00 0.00 176.35 175.39 2h5x s ILE 47 N 0.81 4.55 0.33 6.68 -1.09 -0.34 -1.95 121.20 130.19 2h5x s ILE 47 Ca -0.07 1.83 0.08 0.00 -2.23 0.00 0.00 60.65 60.26 2h5x s ILE 47 Cb -0.09 -4.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 2h5x s ILE 47 CO -0.03 -0.33 0.18 0.42 -1.23 0.00 0.00 174.94 173.94 2h5x s THR 48 N 3.49 3.20 -0.18 2.92 -4.23 0.57 -0.03 115.64 121.37 2h5x s THR 48 Ca 0.46 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 2h5x s THR 48 Cb -0.14 -3.04 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2h5x s THR 48 CO 0.12 -0.19 -0.00 0.00 -0.54 0.00 0.00 174.62 174.00 2h5x s ALA 49 N -2.39 1.23 -0.42 3.99 0.00 -0.32 -4.42 121.76 119.44 2h5x s ALA 49 Ca 0.38 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 51.37 2h5x s ALA 49 Cb -0.04 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.94 2h5x s ALA 49 CO 0.24 -1.01 0.65 1.41 0.00 0.00 0.00 175.76 177.04 2h5x s MET 50 N 1.75 3.38 -0.37 0.00 1.75 -1.25 -2.34 119.30 122.22 2h5x s MET 50 Ca -0.01 -0.26 -0.14 0.00 -1.25 0.00 0.00 55.69 54.03 2h5x s MET 50 Cb -0.16 -3.92 -0.00 0.00 2.84 0.00 0.00 34.83 33.59 2h5x s MET 50 CO -0.07 -0.95 0.28 0.42 -0.65 0.00 0.00 175.02 174.05 2h5x s ILE 51 N 2.81 5.26 -0.18 10.11 1.09 -0.24 -4.52 121.20 135.52 2h5x s ILE 51 Ca 0.23 -0.34 -0.05 0.00 -1.10 0.00 0.00 60.65 59.39 2h5x s ILE 51 Cb -0.14 -3.82 -0.03 0.00 -1.06 0.00 0.00 42.46 37.41 2h5x s ILE 51 CO 0.18 -0.14 0.00 0.68 -0.10 0.00 0.00 174.94 175.56 2h5x s VAL 52 N 1.76 4.12 0.18 2.92 -7.23 -1.26 -1.67 120.40 119.22 2h5x s VAL 52 Ca 0.07 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 2h5x s VAL 52 Cb -0.18 -2.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 2h5x s VAL 52 CO 0.11 0.45 0.01 -1.14 -0.31 0.00 0.00 175.10 174.22 2h5x n ARG 53 N 3.89 1.43 -0.14 4.82 3.00 0.19 -5.02 116.66 124.83 2h5x n ARG 53 Ca -0.17 -1.36 -0.10 0.00 -0.00 0.00 0.00 57.85 56.22 2h5x n ARG 53 Cb 0.52 0.42 0.04 0.00 0.00 0.00 0.00 32.46 33.44 2h5x n ARG 53 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2h5x h GLU 54 N 0.00 0.94 -0.36 -0.14 4.81 -2.06 -3.29 114.58 114.48 2h5x h GLU 54 Ca -0.15 -0.37 -0.27 0.00 -0.13 0.00 0.00 59.36 58.44 2h5x h GLU 54 Cb 0.47 -0.05 -0.24 0.00 0.63 0.00 0.00 28.75 29.57 2h5x h GLU 54 CO 0.25 1.03 -0.71 -0.25 -0.73 0.00 0.00 179.01 178.60 2h5x n ASP 55 N -4.13 3.08 -3.58 1.04 8.00 -1.26 -5.04 116.55 114.67 2h5x n ASP 55 Ca 0.01 -3.61 -0.13 0.00 0.71 0.00 0.00 54.79 51.77 2h5x n ASP 55 Cb 0.43 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 -3.36 -0.50 -0.24 -2.24 1.04 -1.24 -5.12 113.70 102.04 2h5x s SER 56 Ca 0.43 0.66 -0.03 0.00 0.48 0.00 0.00 55.95 57.49 2h5x s SER 56 Cb 0.39 0.57 0.10 0.00 0.10 0.00 0.00 66.02 67.18 2h5x s SER 56 CO -0.03 -0.38 0.21 -0.32 0.98 0.00 0.00 173.24 173.71 2h5x s MET 57 N -0.77 0.21 0.13 4.02 1.75 -1.26 -0.63 119.30 122.74 2h5x s MET 57 Ca -0.03 -0.06 0.08 0.00 -1.25 0.00 0.00 55.69 54.42 2h5x s MET 57 Cb -0.01 -1.12 -0.04 0.00 2.84 0.00 0.00 34.83 36.50 2h5x s MET 57 CO 0.03 -0.83 -0.19 0.99 -0.65 0.00 0.00 175.02 174.37 2h5x s THR 58 N 2.27 1.67 -0.01 10.11 2.01 -0.67 -4.99 115.64 126.03 2h5x s THR 58 Ca 0.07 -1.69 0.03 0.00 0.31 0.00 0.00 61.69 60.42 2h5x s THR 58 Cb -0.15 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 2h5x s THR 58 CO -0.22 -0.20 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.67 2h5x s LEU 59 N -2.24 3.11 -0.15 4.42 1.43 -1.26 -1.08 118.68 122.91 2h5x s LEU 59 Ca 0.10 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2h5x s LEU 59 Cb -0.08 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.42 2h5x s LEU 59 CO 0.05 0.30 -0.04 -0.31 0.23 0.00 0.00 176.35 176.57 2h5x s TYR 60 N -0.95 1.51 0.17 0.29 1.51 -0.99 -1.49 117.35 117.39 2h5x s TYR 60 Ca 0.16 -0.92 0.02 0.00 -1.01 0.00 0.00 57.07 55.32 2h5x s TYR 60 Cb -0.11 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 2h5x s TYR 60 CO 0.06 -0.57 0.31 0.20 -1.11 0.00 0.00 175.55 174.43 2h5x s GLY 61 N 1.70 1.66 0.17 0.71 0.00 0.25 -1.17 107.32 110.64 2h5x s GLY 61 Ca 0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 44.72 43.59 2h5x s GLY 61 CO -0.08 -1.03 0.35 -1.36 0.00 0.00 0.00 173.10 170.99 2h5x s PHE 62 N -1.79 0.23 0.30 1.90 0.40 0.96 -4.56 117.98 115.41 2h5x s PHE 62 Ca 0.35 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 2h5x s PHE 62 Cb -0.11 0.08 0.46 0.00 0.51 0.00 0.00 43.02 43.96 2h5x s PHE 62 CO 0.29 -0.77 1.83 -1.35 0.70 0.00 0.00 175.22 175.91 2h5x h PRO 63 N 2.45 0.70 -3.70 0.24 0.11 -1.93 -0.89 132.00 128.97 2h5x h PRO 63 Ca -0.31 -0.16 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2h5x h PRO 63 Cb 1.24 -0.10 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 2h5x h PRO 63 CO 0.45 0.69 -0.20 0.16 -0.21 0.00 0.00 178.00 178.89 2h5x s ASP 64 N -6.66 -0.06 0.38 -2.05 1.47 -1.26 -4.69 116.67 103.80 2h5x s ASP 64 Ca -0.09 -0.80 0.05 0.00 1.18 0.00 0.00 52.55 52.90 2h5x s ASP 64 Cb 0.15 0.50 0.76 0.00 -0.34 0.00 0.00 42.92 44.00 2h5x s ASP 64 CO 0.79 -0.99 2.03 1.23 0.68 0.00 0.00 175.17 178.91 2h5x h GLY 65 N 2.40 0.68 0.41 2.12 0.00 -1.92 -2.37 103.07 104.38 2h5x h GLY 65 Ca -0.30 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 46.84 2h5x h GLY 65 CO 0.43 0.26 0.04 0.83 0.00 0.00 0.00 176.54 178.10 2h5x h GLU 66 N 0.65 0.15 -0.41 4.80 3.07 -1.99 0.38 114.58 121.23 2h5x h GLU 66 Ca 0.17 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 2h5x h GLU 66 Cb -0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 2h5x h GLU 66 CO -0.03 0.10 -0.03 1.15 -1.40 0.00 0.00 179.01 178.79 2h5x h THR 67 N 0.16 1.27 -0.90 1.13 2.02 -1.90 -2.26 112.91 112.43 2h5x h THR 67 Ca 0.20 -1.08 0.06 0.00 0.77 0.00 0.00 66.41 66.36 2h5x h THR 67 Cb 0.27 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 2h5x h THR 67 CO -0.30 0.36 0.57 -0.09 0.37 0.00 0.00 175.52 176.43 2h5x h ARG 68 N 0.57 1.02 -0.45 6.66 1.12 -0.82 -0.18 114.38 122.29 2h5x h ARG 68 Ca 0.11 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.84 2h5x h ARG 68 Cb 0.53 -0.23 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 2h5x h ARG 68 CO 0.03 0.68 -0.04 -0.44 -3.11 0.00 0.00 179.97 177.08 2h5x h ASP 69 N 1.05 0.75 -0.39 -3.80 3.32 -0.08 -1.96 116.42 115.31 2h5x h ASP 69 Ca 0.39 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2h5x h ASP 69 Cb 0.14 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2h5x h ASP 69 CO -0.16 0.84 0.26 0.25 -1.72 0.00 0.00 179.24 178.70 2h5x h LEU 70 N 0.71 0.45 -0.06 1.55 6.46 -0.46 -0.95 115.31 123.01 2h5x h LEU 70 Ca 0.13 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 2h5x h LEU 70 Cb 0.49 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 2h5x h LEU 70 CO 0.03 0.32 -0.29 0.15 -0.62 0.00 0.00 178.44 178.03 2h5x h PHE 71 N 0.53 -0.80 -1.00 1.25 3.57 -0.85 0.02 116.94 119.65 2h5x h PHE 71 Ca 0.14 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.83 2h5x h PHE 71 Cb -0.06 0.36 -0.09 0.00 2.79 0.00 0.00 35.95 38.95 2h5x h PHE 71 CO -0.05 -0.38 0.62 -0.07 -2.23 0.00 0.00 178.31 176.20 2h5x h LEU 72 N -0.41 0.86 -0.63 0.59 4.07 -0.99 -1.25 115.31 117.55 2h5x h LEU 72 Ca 0.08 0.07 -0.10 0.00 0.08 0.00 0.00 57.88 58.01 2h5x h LEU 72 Cb 0.52 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2h5x h LEU 72 CO -0.29 0.40 -0.01 0.74 -1.08 0.00 0.00 178.44 178.19 2h5x h THR 73 N 0.89 1.27 -0.85 0.22 2.02 -0.03 -2.43 112.91 114.00 2h5x h THR 73 Ca 0.53 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.59 2h5x h THR 73 Cb 0.68 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 2h5x h THR 73 CO -0.32 0.42 0.56 -0.07 0.37 0.00 0.00 175.52 176.49 2h5x h LEU 74 N 0.96 0.91 -1.41 2.58 3.38 0.14 -0.53 115.31 121.34 2h5x h LEU 74 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2h5x h LEU 74 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2h5x h LEU 74 CO 0.03 0.62 0.00 -0.07 0.09 0.00 0.00 178.44 179.11 2h5x h LEU 75 N 1.05 0.00 0.00 1.67 3.38 -0.92 -2.66 115.31 117.83 2h5x h LEU 75 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2h5x h LEU 75 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2h5x h LEU 75 CO -0.10 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.89 2h5x n SER 76 N -2.53 0.00 -4.71 -0.43 3.41 -0.21 -4.73 113.62 104.42 2h5x n SER 76 Ca -0.00 -0.71 -0.37 0.00 -0.26 0.00 0.00 58.87 57.53 2h5x n SER 76 Cb 0.16 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.15 5.27 0.16 -3.33 1.01 -1.00 -5.03 120.40 115.34 2h5x s VAL 77 Ca 0.40 0.61 -0.34 0.00 0.00 0.00 0.00 61.98 62.65 2h5x s VAL 77 Cb 0.20 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.78 2h5x s VAL 77 CO 0.36 0.35 1.60 -1.54 0.00 0.00 0.00 175.10 175.88 2h5x n SER 78 N 3.81 3.23 0.00 3.32 3.41 -1.26 -0.97 113.62 125.15 2h5x n SER 78 Ca -0.11 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 2h5x n SER 78 Cb 0.52 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2h5x n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h5x n GLY 79 N 3.51 1.70 3.51 5.00 0.00 -1.26 -5.03 105.19 112.63 2h5x n GLY 79 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.33 5.08 0.53 1.61 1.01 -0.15 -5.05 120.40 121.11 2h5x s VAL 80 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2h5x s VAL 80 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2h5x s VAL 80 CO 0.00 0.06 0.28 -0.83 0.00 0.00 0.00 175.10 174.61 2h5x s GLY 81 N 1.70 2.56 0.22 4.51 0.00 -1.26 -4.52 107.32 110.52 2h5x s GLY 81 Ca 0.06 -1.03 -0.14 0.00 0.00 0.00 0.00 44.72 43.61 2h5x s GLY 81 CO 0.09 -2.01 1.61 -2.55 0.00 0.00 0.00 173.10 170.24 2h5x h PRO 82 N 0.94 -0.03 0.27 2.90 0.11 -1.97 0.44 132.00 134.65 2h5x h PRO 82 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 2h5x h PRO 82 Cb 1.30 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2h5x h PRO 82 CO 0.62 -0.02 -0.13 0.00 -0.21 0.00 0.00 178.00 178.27 2h5x h ARG 83 N -0.03 -0.34 -0.70 1.05 3.08 -1.99 -0.98 114.38 114.46 2h5x h ARG 83 Ca 0.32 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 2h5x h ARG 83 Cb 0.52 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 2h5x h ARG 83 CO -0.72 -0.22 0.38 1.25 -1.07 0.00 0.00 179.97 179.59 2h5x h LEU 84 N -0.37 0.86 0.03 3.04 6.46 -1.86 -1.15 115.31 122.32 2h5x h LEU 84 Ca -0.04 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2h5x h LEU 84 Cb 0.28 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 2h5x h LEU 84 CO 0.06 0.70 -0.02 0.00 -0.62 0.00 0.00 178.44 178.56 2h5x h ALA 85 N 1.44 -0.05 -0.02 1.25 0.00 -0.62 0.26 119.26 121.52 2h5x h ALA 85 Ca 0.25 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2h5x h ALA 85 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2h5x h ALA 85 CO -0.04 -0.53 -0.09 0.52 0.00 0.00 0.00 179.25 179.11 2h5x h MET 86 N -0.05 -0.14 -0.61 0.00 2.86 -0.72 -0.87 114.93 115.40 2h5x h MET 86 Ca -0.00 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.75 2h5x h MET 86 Cb 0.05 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 2h5x h MET 86 CO 0.00 -0.09 0.18 0.00 1.06 0.00 0.00 176.91 178.06 2h5x h ALA 87 N 0.86 0.76 -0.11 6.32 0.00 -1.06 0.48 119.26 126.51 2h5x h ALA 87 Ca 0.04 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2h5x h ALA 87 Cb 0.20 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2h5x h ALA 87 CO -0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 179.25 178.76 2h5x h ALA 88 N 1.45 -0.06 0.00 0.00 0.00 -0.23 -1.34 119.26 119.08 2h5x h ALA 88 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2h5x h ALA 88 Cb 0.44 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2h5x h ALA 88 CO -0.36 -0.59 0.00 -0.07 0.00 0.00 0.00 179.25 178.23 2h5x h LEU 89 N -0.17 0.00 0.01 0.00 3.38 0.32 -1.73 115.31 117.12 2h5x h LEU 89 Ca 0.09 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.80 2h5x h LEU 89 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2h5x h LEU 89 CO -0.22 0.00 -1.13 0.00 0.09 0.00 0.00 178.44 177.18 2h5x h ALA 90 N 2.10 0.18 0.16 1.53 0.00 0.96 -3.34 119.26 120.86 2h5x h ALA 90 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 2h5x h ALA 90 Cb 0.44 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.27 2h5x h ALA 90 CO 0.00 0.87 -1.15 0.28 0.00 0.00 0.00 179.25 179.25 2h5x h VAL 91 N 0.16 1.36 -3.17 0.00 2.07 -1.11 -3.45 116.25 112.11 2h5x h VAL 91 Ca -0.12 -2.52 -0.67 0.00 0.82 0.00 0.00 66.70 64.20 2h5x h VAL 91 Cb 1.82 2.94 -0.34 0.00 -1.52 0.00 0.00 31.29 34.19 2h5x h VAL 91 CO 0.19 0.75 -0.87 -1.00 0.02 0.00 0.00 177.57 176.67 2h5x s HIS 92 N -2.73 2.66 0.89 1.57 3.76 -0.67 -5.10 115.29 115.67 2h5x s HIS 92 Ca -0.11 -1.40 -0.11 0.00 -0.15 0.00 0.00 55.06 53.30 2h5x s HIS 92 Cb 0.04 -1.82 0.13 0.00 1.11 0.00 0.00 32.58 32.03 2h5x s HIS 92 CO 0.90 -0.65 1.15 -0.51 -0.85 0.00 0.00 174.74 174.78 2h5x s ASP 93 N 0.93 3.13 0.15 1.40 1.11 -1.26 -4.28 116.67 117.85 2h5x s ASP 93 Ca -0.04 2.19 -0.29 0.00 0.18 0.00 0.00 52.55 54.59 2h5x s ASP 93 Cb -0.15 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 2h5x s ASP 93 CO -0.04 -2.97 1.56 0.00 1.18 0.00 0.00 175.17 174.90 2h5x h ALA 94 N -1.67 -0.52 -0.44 5.23 0.00 -1.96 0.29 119.26 120.19 2h5x h ALA 94 Ca -0.44 0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2h5x h ALA 94 Cb 1.27 1.06 -0.09 0.00 0.00 0.00 0.00 17.79 20.02 2h5x h ALA 94 CO 0.43 -0.93 -0.25 -1.35 0.00 0.00 0.00 179.25 177.15 2h5x h PRO 95 N -0.28 -0.16 -0.69 0.00 0.11 -1.99 0.21 132.00 129.20 2h5x h PRO 95 Ca 0.14 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.31 2h5x h PRO 95 Cb 0.56 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.66 2h5x h PRO 95 CO -0.67 -0.11 0.39 0.00 -0.21 0.00 0.00 178.00 177.40 2h5x h ALA 96 N 1.04 0.92 -0.65 -0.75 0.00 -1.63 0.12 119.26 118.31 2h5x h ALA 96 Ca 0.20 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2h5x h ALA 96 Cb 0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2h5x h ALA 96 CO -0.54 0.09 0.08 1.25 0.00 0.00 0.00 179.25 180.13 2h5x h LEU 97 N 0.73 1.06 -0.25 0.00 5.85 0.16 0.98 115.31 123.84 2h5x h LEU 97 Ca 0.30 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2h5x h LEU 97 Cb 0.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2h5x h LEU 97 CO -0.17 1.07 -0.16 0.03 -0.34 0.00 0.00 178.44 178.86 2h5x h ARG 98 N 1.01 0.55 0.03 1.25 3.08 -0.25 -1.80 114.38 118.24 2h5x h ARG 98 Ca 0.19 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2h5x h ARG 98 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2h5x h ARG 98 CO 0.02 0.83 -0.14 0.37 -1.07 0.00 0.00 179.97 179.98 2h5x h GLN 99 N 0.26 -0.19 -1.00 0.04 -0.00 -0.47 0.10 115.11 113.86 2h5x h GLN 99 Ca 0.05 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.84 2h5x h GLN 99 Cb 0.69 0.04 -0.15 0.00 0.00 0.00 0.00 27.48 28.06 2h5x h GLN 99 CO 0.04 -0.13 -0.46 0.28 0.00 0.00 0.00 178.83 178.57 2h5x n VAL 100 N -3.23 -0.58 -0.28 2.39 0.31 0.31 -0.76 118.33 116.50 2h5x n VAL 100 Ca -0.02 2.36 0.02 0.00 -0.01 0.00 0.00 64.34 66.69 2h5x n VAL 100 Cb 0.11 -3.05 0.15 0.00 -0.91 0.00 0.00 33.84 30.13 2h5x n VAL 100 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2h5x h LEU 101 N 0.00 0.65 -0.84 7.52 3.38 -0.88 -0.89 115.31 124.25 2h5x h LEU 101 Ca 0.28 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.17 2h5x h LEU 101 Cb 0.53 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2h5x h LEU 101 CO -0.97 0.39 -0.52 0.00 0.09 0.00 0.00 178.44 177.43 2h5x h ALA 102 N 1.42 1.02 -0.51 1.53 0.00 0.11 -2.92 119.26 119.92 2h5x h ALA 102 Ca 0.37 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2h5x h ALA 102 Cb 0.30 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2h5x h ALA 102 CO -0.23 0.67 0.17 -0.25 0.00 0.00 0.00 179.25 179.61 2h5x n ASP 103 N -3.93 4.02 -1.90 0.00 9.92 0.02 -4.89 116.55 119.78 2h5x n ASP 103 Ca -0.02 -2.82 -0.02 0.00 -0.53 0.00 0.00 54.79 51.40 2h5x n ASP 103 Cb 0.55 -0.67 -0.00 0.00 -0.64 0.00 0.00 41.12 40.36 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 0.04 -0.21 3.22 0.44 0.00 -0.71 -4.72 105.19 103.25 2h5x n GLY 104 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.02 2h5x n GLY 104 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2h5x n ASN 105 N -0.60 1.07 -0.10 1.61 2.85 -0.45 -4.64 115.26 115.00 2h5x n ASN 105 Ca -0.02 -2.33 0.15 0.00 -0.11 0.00 0.00 54.58 52.27 2h5x n ASN 105 Cb 0.33 -0.60 0.54 0.00 1.24 0.00 0.00 39.78 41.29 2h5x n ASN 105 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 2h5x h VAL 106 N 4.49 0.82 -0.45 3.44 -1.51 -1.86 -1.24 116.25 119.93 2h5x h VAL 106 Ca 0.20 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 2h5x h VAL 106 Cb 0.41 0.46 -0.02 0.00 -2.13 0.00 0.00 31.29 30.01 2h5x h VAL 106 CO 1.63 0.06 0.30 0.00 -1.23 0.00 0.00 177.57 178.33 2h5x h ALA 107 N 1.68 0.58 -0.28 5.19 0.00 -1.99 -1.08 119.26 123.36 2h5x h ALA 107 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2h5x h ALA 107 Cb 0.78 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2h5x h ALA 107 CO -0.08 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.30 2h5x h ALA 108 N 1.16 0.36 -0.47 0.00 0.00 -1.62 -3.11 119.26 115.57 2h5x h ALA 108 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2h5x h ALA 108 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2h5x h ALA 108 CO -0.04 -0.02 0.17 -0.07 0.00 0.00 0.00 179.25 179.29 2h5x h LEU 109 N 0.29 0.67 -2.12 0.00 3.38 -1.35 -2.40 115.31 113.77 2h5x h LEU 109 Ca 0.09 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.94 2h5x h LEU 109 Cb 0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2h5x h LEU 109 CO -0.00 0.68 0.31 0.71 0.09 0.00 0.00 178.44 180.22 2h5x h THR 110 N 0.62 0.33 -0.31 0.22 1.35 -1.15 0.16 112.91 114.13 2h5x h THR 110 Ca 0.16 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.97 2h5x h THR 110 Cb 0.23 0.74 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 2h5x h THR 110 CO -0.01 0.00 0.01 0.03 -0.25 0.00 0.00 175.52 175.30 2h5x h ARG 111 N 0.00 0.47 -6.61 4.72 3.08 -1.36 -3.43 114.38 111.25 2h5x h ARG 111 Ca 0.11 -0.09 -0.52 0.00 0.07 0.00 0.00 59.98 59.55 2h5x h ARG 111 Cb 0.73 -0.07 0.05 0.00 0.08 0.00 0.00 29.97 30.75 2h5x h ARG 111 CO -0.00 0.49 0.97 0.08 -1.07 0.00 0.00 179.97 180.44 2h5x s VAL 112 N -5.00 2.37 0.41 2.04 1.01 0.57 -4.93 120.40 116.88 2h5x s VAL 112 Ca -0.07 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.86 2h5x s VAL 112 Cb 0.16 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.30 2h5x s VAL 112 CO 0.75 0.01 1.44 -2.84 0.00 0.00 0.00 175.10 174.47 2h5x s PRO 113 N 1.37 3.90 0.00 2.72 0.02 -1.26 -2.34 135.00 139.40 2h5x s PRO 113 Ca 0.73 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.22 2h5x s PRO 113 Cb -0.46 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.25 2h5x s PRO 113 CO 0.32 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 2h5x n GLY 114 N 0.54 3.18 3.55 0.52 0.00 -1.26 -4.92 105.19 106.80 2h5x n GLY 114 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.89 5.22 0.37 -0.61 1.01 -0.99 -5.06 121.20 119.25 2h5x s ILE 115 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2h5x s ILE 115 Cb 0.00 -3.56 0.07 0.00 0.01 0.00 0.00 42.46 38.98 2h5x s ILE 115 CO 0.00 0.15 0.51 0.61 0.00 0.00 0.00 174.94 176.22 2h5x n GLY 116 N 5.07 1.34 0.13 6.18 0.00 -1.26 -4.45 105.19 112.20 2h5x n GLY 116 Ca -0.14 -2.09 -0.07 0.00 0.00 0.00 0.00 46.02 43.72 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 0.04 0.70 1.61 1.79 -1.94 -1.34 116.57 117.43 2h5x h LYS 117 Ca -0.17 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.26 2h5x h LYS 117 Cb 0.71 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.35 2h5x h LYS 117 CO 0.21 0.03 -0.33 0.00 -1.08 0.00 0.00 179.45 178.28 2h5x h ARG 118 N 0.04 -0.90 -0.78 3.15 3.08 -1.99 -2.63 114.38 114.35 2h5x h ARG 118 Ca 0.14 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.41 2h5x h ARG 118 Cb 0.20 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 30.31 2h5x h ARG 118 CO -0.27 -0.57 -0.19 0.78 -1.07 0.00 0.00 179.97 178.65 2h5x h GLY 119 N -1.07 0.57 0.44 0.04 0.00 -1.91 0.66 103.07 101.80 2h5x h GLY 119 Ca -0.10 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.60 2h5x h GLY 119 CO 0.16 -0.30 0.51 0.00 0.00 0.00 0.00 176.54 176.91 2h5x h ALA 120 N 1.78 1.30 -0.33 3.60 0.00 -1.21 0.67 119.26 125.08 2h5x h ALA 120 Ca 0.38 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 2h5x h ALA 120 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2h5x h ALA 120 CO -0.80 0.09 -0.18 0.93 0.00 0.00 0.00 179.25 179.29 2h5x h GLU 121 N 0.81 0.69 0.11 0.00 5.08 0.63 -0.32 114.58 121.58 2h5x h GLU 121 Ca 0.44 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2h5x h GLU 121 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2h5x h GLU 121 CO -0.28 0.91 -0.05 0.00 -1.00 0.00 0.00 179.01 178.59 2h5x h ARG 122 N 0.46 -0.14 -0.25 2.33 3.08 -0.24 0.56 114.38 120.18 2h5x h ARG 122 Ca 0.07 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.19 2h5x h ARG 122 Cb 0.71 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.72 2h5x h ARG 122 CO 0.05 -0.07 -0.23 0.52 -1.07 0.00 0.00 179.97 179.16 2h5x h MET 123 N -0.16 -0.23 -0.71 0.04 2.86 -0.80 0.61 114.93 116.54 2h5x h MET 123 Ca -0.01 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2h5x h MET 123 Cb 0.13 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 2h5x h MET 123 CO 0.02 -0.15 0.47 0.28 1.06 0.00 0.00 176.91 178.59 2h5x h VAL 124 N -0.23 1.04 -0.06 -2.22 2.07 -0.79 0.56 116.25 116.62 2h5x h VAL 124 Ca 0.14 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2h5x h VAL 124 Cb 0.45 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2h5x h VAL 124 CO -0.39 0.14 -0.06 0.25 0.02 0.00 0.00 177.57 177.54 2h5x h LEU 125 N 0.77 0.16 0.68 2.57 5.85 0.10 -3.34 115.31 122.10 2h5x h LEU 125 Ca 0.30 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2h5x h LEU 125 Cb 0.20 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.19 2h5x h LEU 125 CO -0.09 0.60 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.95 2h5x h GLU 126 N -0.28 -0.87 -5.69 1.25 4.39 0.75 -3.42 114.58 110.70 2h5x h GLU 126 Ca 0.01 0.06 -0.61 0.00 0.34 0.00 0.00 59.36 59.16 2h5x h GLU 126 Cb 0.55 0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 29.32 2h5x h GLU 126 CO 0.01 -0.58 -0.30 -0.51 -1.16 0.00 0.00 179.01 176.48 2h5x s LEU 127 N -8.22 4.34 0.00 1.33 1.43 0.19 -4.66 118.68 113.09 2h5x s LEU 127 Ca -0.13 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2h5x s LEU 127 Cb 0.01 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2h5x s LEU 127 CO 0.40 0.20 0.00 -1.14 0.23 0.00 0.00 176.35 176.04 2h5x n ARG 128 N 2.82 0.00 -0.17 1.70 0.63 -1.26 -4.09 116.66 116.29 2h5x n ARG 128 Ca -0.13 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 56.91 2h5x n ARG 128 Cb 0.52 0.00 0.19 0.00 0.45 0.00 0.00 32.46 33.63 2h5x n ARG 128 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2h5x n ASP 129 N 0.00 3.30 -3.51 6.15 9.92 -1.26 -4.54 116.55 126.62 2h5x n ASP 129 Ca 0.00 -1.95 -0.27 0.00 -0.53 0.00 0.00 54.79 52.04 2h5x n ASP 129 Cb 0.00 -0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 40.17 2h5x n ASP 129 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2h5x n LYS 130 N 1.35 1.95 -3.46 -1.24 4.81 -1.26 -5.01 118.16 115.30 2h5x n LYS 130 Ca 0.18 -4.33 -0.07 0.00 -0.87 0.00 0.00 58.31 53.22 2h5x n LYS 130 Cb 0.57 -2.08 -0.08 0.00 0.02 0.00 0.00 35.03 33.47 2h5x n LYS 130 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2h5x s VAL 131 N -1.89 -0.69 0.00 3.15 1.01 -1.26 -4.87 120.40 115.85 2h5x s VAL 131 Ca 0.35 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 2h5x s VAL 131 Cb 0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.59 2h5x s VAL 131 CO -0.08 -0.03 0.98 0.61 0.00 0.00 0.00 175.10 176.58 2h5x n GLY 132 N 5.39 1.00 0.00 4.51 0.00 -1.26 -1.38 105.19 113.45 2h5x n GLY 132 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2h5x n GLY 132 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2h5x n VAL 133 N 5.06 0.00 -2.56 1.61 3.14 -1.26 -5.19 118.33 119.14 2h5x n VAL 133 Ca 0.12 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.18 2h5x n VAL 133 Cb 0.13 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 32.91 2h5x n VAL 133 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2h5x n ALA 134 N 0.00 5.41 0.00 1.55 0.00 -0.48 -5.21 120.51 121.78 2h5x n ALA 134 Ca 0.00 -4.47 0.00 0.00 0.00 0.00 0.00 53.44 48.97 2h5x n ALA 134 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2h5x n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h5x n ALA 146 N -0.34 0.00 0.00 0.00 0.00 -1.26 -4.45 120.51 114.46 2h5x n ALA 146 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2h5x n ALA 146 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2h5x n ALA 146 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2h5x n VAL 147 N 0.00 0.00 0.20 0.00 3.14 -1.26 -4.81 118.33 115.60 2h5x n VAL 147 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2h5x n VAL 147 Cb 0.00 -0.17 -0.04 0.00 -1.06 0.00 0.00 33.84 32.57 2h5x n VAL 147 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2h5x h ARG 148 N 0.00 -0.49 -0.61 1.45 2.43 -1.99 -2.83 114.38 112.34 2h5x h ARG 148 Ca 0.00 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 2h5x h ARG 148 Cb 0.21 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.76 2h5x h ARG 148 CO 0.00 -0.32 -0.34 1.03 -1.51 0.00 0.00 179.97 178.82 2h5x h SER 149 N -0.56 -1.19 -0.18 -3.80 0.87 -1.99 -0.99 113.55 105.70 2h5x h SER 149 Ca -0.05 0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.79 2h5x h SER 149 Cb 0.39 0.59 -0.06 0.00 -0.44 0.00 0.00 62.40 62.88 2h5x h SER 149 CO 0.08 -0.30 -0.20 -0.65 -0.53 0.00 0.00 176.83 175.23 2h5x h PRO 150 N -0.16 -0.22 -0.97 2.24 0.11 -1.87 0.62 132.00 131.76 2h5x h PRO 150 Ca 0.24 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.42 2h5x h PRO 150 Cb 0.55 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.65 2h5x h PRO 150 CO -0.70 -0.14 0.62 0.28 -0.21 0.00 0.00 178.00 177.85 2h5x h VAL 151 N -0.23 1.10 -0.38 3.15 2.07 -1.15 0.34 116.25 121.14 2h5x h VAL 151 Ca 0.12 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2h5x h VAL 151 Cb 0.40 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2h5x h VAL 151 CO -0.32 0.21 0.01 0.58 0.02 0.00 0.00 177.57 178.07 2h5x h VAL 152 N 1.15 1.26 -0.67 2.57 2.07 -0.20 -0.43 116.25 122.00 2h5x h VAL 152 Ca 0.41 -0.99 0.12 0.00 0.82 0.00 0.00 66.70 67.07 2h5x h VAL 152 Cb 0.13 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2h5x h VAL 152 CO -0.16 0.33 0.22 -0.08 0.02 0.00 0.00 177.57 177.90 2h5x h GLU 153 N 0.50 0.35 -0.42 1.57 4.57 0.27 0.58 114.58 121.99 2h5x h GLU 153 Ca 0.11 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.13 2h5x h GLU 153 Cb 0.46 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2h5x h GLU 153 CO 0.02 0.23 -0.28 0.00 -1.18 0.00 0.00 179.01 177.81 2h5x h ALA 154 N 1.50 0.60 -0.27 2.92 0.00 -0.19 0.11 119.26 123.94 2h5x h ALA 154 Ca 0.36 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2h5x h ALA 154 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2h5x h ALA 154 CO -0.39 0.63 -0.11 -0.07 0.00 0.00 0.00 179.25 179.31 2h5x h LEU 155 N 0.77 0.42 -0.19 0.00 3.38 0.39 0.88 115.31 120.95 2h5x h LEU 155 Ca 0.09 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2h5x h LEU 155 Cb 0.86 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2h5x h LEU 155 CO 0.08 0.56 -0.46 0.58 0.09 0.00 0.00 178.44 179.29 2h5x h VAL 156 N 0.41 1.33 -0.77 1.22 2.07 0.31 -0.37 116.25 120.44 2h5x h VAL 156 Ca 0.08 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 65.96 2h5x h VAL 156 Cb 0.44 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 2h5x h VAL 156 CO 0.02 0.53 0.51 1.23 0.02 0.00 0.00 177.57 179.88 2h5x h GLY 157 N 0.32 1.07 0.91 2.17 0.00 0.10 -0.06 103.07 107.57 2h5x h GLY 157 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2h5x h GLY 157 CO 0.10 0.28 0.00 1.04 0.00 0.00 0.00 176.54 177.96 2h5x n LEU 158 N -4.47 0.00 0.00 3.11 4.77 0.22 -4.85 117.00 115.78 2h5x n LEU 158 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2h5x n LEU 158 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2h5x n LEU 158 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2h5x n GLY 159 N 0.66 0.86 3.87 -0.72 0.00 -0.04 -5.08 105.19 104.74 2h5x n GLY 159 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 3.43 0.45 1.61 0.40 -0.16 -5.00 117.98 116.72 2h5x s PHE 160 Ca 0.00 1.07 -0.20 0.00 -0.60 0.00 0.00 56.93 57.20 2h5x s PHE 160 Cb 0.00 -2.44 -0.10 0.00 0.51 0.00 0.00 43.02 40.98 2h5x s PHE 160 CO 0.00 0.00 0.96 0.00 0.70 0.00 0.00 175.22 176.89 2h5x s ALA 161 N -2.18 3.03 0.20 5.36 0.00 -1.26 -4.12 121.76 122.79 2h5x s ALA 161 Ca 0.52 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 2h5x s ALA 161 Cb -0.10 -3.15 0.26 0.00 0.00 0.00 0.00 23.12 20.12 2h5x s ALA 161 CO 0.26 0.02 1.72 0.00 0.00 0.00 0.00 175.76 177.75 2h5x h ALA 162 N 1.69 0.68 0.27 0.00 0.00 -1.95 -0.88 119.26 119.06 2h5x h ALA 162 Ca -0.49 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2h5x h ALA 162 Cb 1.18 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2h5x h ALA 162 CO 0.61 -0.28 -0.21 1.57 0.00 0.00 0.00 179.25 180.94 2h5x h LYS 163 N 0.28 -0.44 -0.95 0.00 -0.00 -2.00 -1.23 116.57 112.23 2h5x h LYS 163 Ca 0.29 0.03 0.22 0.00 -0.00 0.00 0.00 60.65 61.19 2h5x h LYS 163 Cb 0.40 0.10 -0.08 0.00 -0.00 0.00 0.00 32.23 32.66 2h5x h LYS 163 CO -0.36 -0.30 0.62 0.37 -0.00 0.00 0.00 179.45 179.79 2h5x h GLN 164 N -0.46 0.44 -0.23 0.07 5.75 -1.94 -1.98 115.11 116.75 2h5x h GLN 164 Ca -0.04 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 2h5x h GLN 164 Cb 0.38 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2h5x h GLN 164 CO 0.01 0.29 -0.00 0.00 -2.65 0.00 0.00 178.83 176.48 2h5x h ALA 165 N 1.61 0.32 -0.11 3.38 0.00 -0.84 -2.83 119.26 120.78 2h5x h ALA 165 Ca 0.51 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2h5x h ALA 165 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2h5x h ALA 165 CO -0.23 0.05 0.06 0.93 0.00 0.00 0.00 179.25 180.05 2h5x h GLU 166 N 0.18 0.16 -0.83 0.00 5.08 -0.52 -1.93 114.58 116.72 2h5x h GLU 166 Ca 0.07 -0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.61 2h5x h GLU 166 Cb 0.41 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 29.50 2h5x h GLU 166 CO 0.01 0.21 0.20 1.49 -1.00 0.00 0.00 179.01 179.93 2h5x h GLU 167 N 0.07 0.21 0.09 2.33 4.81 -1.35 0.20 114.58 120.94 2h5x h GLU 167 Ca 0.04 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.00 2h5x h GLU 167 Cb 0.10 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2h5x h GLU 167 CO -0.01 0.14 -1.14 0.00 -0.73 0.00 0.00 179.01 177.27 2h5x h ALA 168 N 1.73 0.20 -0.35 2.92 0.00 -1.37 -3.06 119.26 119.33 2h5x h ALA 168 Ca 0.50 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2h5x h ALA 168 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2h5x h ALA 168 CO -0.62 0.97 -0.11 1.15 0.00 0.00 0.00 179.25 180.63 2h5x h THR 169 N 0.09 1.28 -0.22 0.00 2.02 -0.36 -2.40 112.91 113.32 2h5x h THR 169 Ca -0.11 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 65.88 2h5x h THR 169 Cb 1.85 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.57 2h5x h THR 169 CO 0.19 0.39 0.13 0.44 0.37 0.00 0.00 175.52 177.04 2h5x h ASP 170 N 0.49 0.21 -0.01 4.18 3.32 -0.76 -1.98 116.42 121.86 2h5x h ASP 170 Ca 0.09 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2h5x h ASP 170 Cb 0.63 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.08 2h5x h ASP 170 CO 0.04 0.15 -0.53 0.74 -1.72 0.00 0.00 179.24 177.92 2h5x h THR 171 N 0.27 0.01 -0.55 0.35 2.02 -1.41 0.43 112.91 114.02 2h5x h THR 171 Ca 0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.37 2h5x h THR 171 Cb -0.01 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 66.33 2h5x h THR 171 CO -0.04 0.00 0.03 0.58 0.37 0.00 0.00 175.52 176.46 2h5x h VAL 172 N -0.66 0.58 -0.62 3.16 2.07 -1.27 -1.23 116.25 118.27 2h5x h VAL 172 Ca 0.02 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2h5x h VAL 172 Cb 0.72 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2h5x h VAL 172 CO -0.36 0.03 0.19 -0.07 0.02 0.00 0.00 177.57 177.37 2h5x h LEU 173 N 0.15 0.90 -0.80 2.57 3.38 -0.75 0.37 115.31 121.13 2h5x h LEU 173 Ca 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2h5x h LEU 173 Cb 0.44 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2h5x h LEU 173 CO -0.45 0.87 0.47 0.00 0.09 0.00 0.00 178.44 179.43 2h5x h ALA 174 N 1.07 1.02 -0.04 1.53 0.00 -0.29 -2.46 119.26 120.08 2h5x h ALA 174 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2h5x h ALA 174 Cb 0.29 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2h5x h ALA 174 CO -0.01 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.69 2h5x h ALA 175 N 1.25 0.06 -1.78 0.00 0.00 -0.88 -3.32 119.26 114.59 2h5x h ALA 175 Ca 0.28 -0.28 -0.80 0.00 0.00 0.00 0.00 54.91 54.11 2h5x h ALA 175 Cb -0.02 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.50 2h5x h ALA 175 CO -0.05 -0.14 0.99 -1.71 0.00 0.00 0.00 179.25 178.34 2h5x n ASN 176 N -4.75 6.14 0.00 0.00 2.85 0.13 -4.97 115.26 114.66 2h5x n ASN 176 Ca -0.08 -3.34 0.00 0.00 -0.11 0.00 0.00 54.58 51.06 2h5x n ASN 176 Cb 0.30 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.00 2h5x n ASN 176 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2h5x n HIS 177 N 1.89 0.00 -3.68 1.20 8.25 -0.94 -3.77 115.22 118.16 2h5x n HIS 177 Ca 0.28 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.65 2h5x n HIS 177 Cb 0.34 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.35 2h5x n HIS 177 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2h5x s ASP 178 N 0.00 -0.55 0.00 0.41 1.47 -1.26 -4.42 116.67 112.32 2h5x s ASP 178 Ca 0.00 1.03 0.00 0.00 1.18 0.00 0.00 52.55 54.76 2h5x s ASP 178 Cb 0.00 1.03 0.00 0.00 -0.34 0.00 0.00 42.92 43.61 2h5x s ASP 178 CO 0.00 -0.21 0.00 0.00 0.68 0.00 0.00 175.17 175.64 2h5x n ALA 179 N 4.53 0.00 -2.57 2.11 0.00 -1.25 -5.16 120.51 118.17 2h5x n ALA 179 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 2h5x n ALA 179 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 2h5x n ALA 179 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2h5x s THR 180 N 2.08 1.36 0.27 0.00 2.01 -1.26 -5.01 115.64 115.09 2h5x s THR 180 Ca 0.00 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 2h5x s THR 180 Cb 0.00 -1.21 0.26 0.00 0.01 0.00 0.00 72.50 71.56 2h5x s THR 180 CO 0.00 0.09 1.82 0.71 -0.69 0.00 0.00 174.62 176.55 2h5x h THR 181 N 4.43 0.89 0.00 -0.82 1.35 -1.93 0.28 112.91 117.11 2h5x h THR 181 Ca -0.40 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2h5x h THR 181 Cb 1.17 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2h5x h THR 181 CO 0.44 0.16 0.00 -0.24 -0.25 0.00 0.00 175.52 175.63 2h5x n SER 182 N -4.69 0.00 -0.31 5.36 2.88 -1.26 -0.26 113.62 115.34 2h5x n SER 182 Ca 0.17 0.89 0.10 0.00 -1.33 0.00 0.00 58.87 58.69 2h5x n SER 182 Cb 0.34 -0.39 0.26 0.00 -0.75 0.00 0.00 64.21 63.68 2h5x n SER 182 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2h5x h SER 183 N 0.00 0.51 -0.79 -3.46 4.64 -1.91 0.16 113.55 112.69 2h5x h SER 183 Ca 0.00 0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2h5x h SER 183 Cb 0.00 0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 2h5x h SER 183 CO 0.00 0.17 0.52 0.00 -0.87 0.00 0.00 176.83 176.65 2h5x h ALA 184 N 1.61 1.02 0.18 5.18 0.00 -0.38 0.22 119.26 127.09 2h5x h ALA 184 Ca 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2h5x h ALA 184 Cb 0.80 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2h5x h ALA 184 CO -0.41 0.39 -0.09 1.25 0.00 0.00 0.00 179.25 180.40 2h5x h LEU 185 N 1.05 -0.20 -1.32 0.00 6.46 0.21 0.42 115.31 121.93 2h5x h LEU 185 Ca 0.30 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2h5x h LEU 185 Cb -0.09 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 2h5x h LEU 185 CO -0.08 0.04 0.48 0.03 -0.62 0.00 0.00 178.44 178.30 2h5x h ARG 186 N -0.45 0.86 -0.04 1.25 3.08 -0.76 -0.86 114.38 117.46 2h5x h ARG 186 Ca -0.02 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.76 2h5x h ARG 186 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2h5x h ARG 186 CO 0.04 0.57 -0.85 1.03 -1.07 0.00 0.00 179.97 179.69 2h5x h SER 187 N 0.88 0.55 -0.42 7.04 0.87 -0.39 -2.73 113.55 119.34 2h5x h SER 187 Ca 0.29 -0.40 -0.13 0.00 -1.23 0.00 0.00 61.79 60.32 2h5x h SER 187 Cb 0.06 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2h5x h SER 187 CO -0.08 1.18 -0.24 0.00 -0.53 0.00 0.00 176.83 177.16 2h5x h ALA 188 N 0.80 0.72 -0.40 6.23 0.00 -0.39 -2.52 119.26 123.71 2h5x h ALA 188 Ca -0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2h5x h ALA 188 Cb 1.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2h5x h ALA 188 CO 0.15 0.67 0.04 -0.07 0.00 0.00 0.00 179.25 180.04 2h5x h LEU 189 N 0.81 0.57 0.22 0.00 3.38 -1.17 -0.20 115.31 118.92 2h5x h LEU 189 Ca 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2h5x h LEU 189 Cb 0.80 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2h5x h LEU 189 CO 0.07 0.61 -0.11 -1.28 0.09 0.00 0.00 178.44 177.82 2h5x h SER 190 N 0.59 -0.26 0.04 -0.43 0.87 -1.18 0.28 113.55 113.46 2h5x h SER 190 Ca 0.13 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2h5x h SER 190 Cb 0.31 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 2h5x h SER 190 CO 0.01 -0.11 -0.17 -0.07 -0.53 0.00 0.00 176.83 175.96 2h5x h LEU 191 N -0.39 -0.48 -2.01 2.23 3.38 -1.19 -1.73 115.31 115.12 2h5x h LEU 191 Ca -0.03 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.15 2h5x h LEU 191 Cb 0.30 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2h5x h LEU 191 CO 0.05 -0.24 0.43 -0.07 0.09 0.00 0.00 178.44 178.70 2h5x h LEU 192 N -0.30 0.00 0.00 1.67 3.38 -0.83 0.75 115.31 119.98 2h5x h LEU 192 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2h5x h LEU 192 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2h5x h LEU 192 CO -0.13 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.01 2h5x n GLY 193 N -1.59 -0.55 3.25 0.83 0.00 0.07 -5.08 105.19 102.12 2h5x n GLY 193 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2h5x n GLY 193 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49