#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 4.45 -0.19 1.12 1.01 -1.26 -4.87 121.20 121.46 2h5x s ILE 2 Ca 0.00 0.75 0.22 0.00 0.00 0.00 0.00 60.65 61.63 2h5x s ILE 2 Cb 0.00 -4.45 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 2h5x s ILE 2 CO 0.00 -0.86 0.93 0.00 0.00 0.00 0.00 174.94 175.01 2h5x n ALA 3 N 7.22 2.57 -3.54 9.38 0.00 -1.26 -3.57 120.51 131.30 2h5x n ALA 3 Ca 0.06 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 2h5x n ALA 3 Cb 0.48 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 -5.20 -0.47 -0.08 0.00 1.04 -1.26 -0.43 113.70 107.31 2h5x s SER 4 Ca -0.02 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2h5x s SER 4 Cb 0.10 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2h5x s SER 4 CO 0.81 -0.50 -0.05 -0.69 0.98 0.00 0.00 173.24 173.80 2h5x s VAL 5 N -1.55 0.70 -0.13 5.02 1.01 -0.94 -4.90 120.40 119.62 2h5x s VAL 5 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2h5x s VAL 5 Cb -0.00 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2h5x s VAL 5 CO 0.02 0.29 -0.18 -0.60 0.00 0.00 0.00 175.10 174.64 2h5x s ARG 6 N 1.43 2.56 0.00 2.72 3.52 -1.26 -1.73 118.95 126.19 2h5x s ARG 6 Ca -0.02 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.90 2h5x s ARG 6 Cb -0.13 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 2h5x s ARG 6 CO -0.03 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.78 2h5x n GLY 7 N 4.29 -0.98 3.67 8.12 0.00 0.25 -4.65 105.19 115.90 2h5x n GLY 7 Ca -0.19 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.03 4.32 -0.46 1.61 2.12 -1.11 0.04 118.70 125.19 2h5x s GLU 8 Ca 0.00 1.42 -0.27 0.00 0.36 0.00 0.00 54.97 56.48 2h5x s GLU 8 Cb 0.00 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 2h5x s GLU 8 CO 0.00 -0.52 1.89 0.08 -0.54 0.00 0.00 175.26 176.17 2h5x s VAL 9 N 2.78 3.38 -0.20 3.70 1.01 0.18 -1.64 120.40 129.60 2h5x s VAL 9 Ca 0.47 0.32 0.18 0.00 0.00 0.00 0.00 61.98 62.95 2h5x s VAL 9 Cb -0.17 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2h5x s VAL 9 CO 0.12 -0.57 1.21 -0.07 0.00 0.00 0.00 175.10 175.79 2h5x h LEU 10 N 15.40 0.00 -7.00 3.92 3.38 -0.63 0.24 115.31 130.62 2h5x h LEU 10 Ca -0.30 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2h5x h LEU 10 Cb 1.18 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 2h5x h LEU 10 CO 1.12 0.38 0.09 -0.70 0.09 0.00 0.00 178.44 179.42 2h5x s GLU 11 N -3.05 0.70 -0.32 1.13 2.12 -1.21 -4.81 118.70 113.26 2h5x s GLU 11 Ca 0.02 1.11 -0.01 0.00 0.36 0.00 0.00 54.97 56.44 2h5x s GLU 11 Cb 0.08 0.19 0.07 0.00 0.26 0.00 0.00 34.13 34.73 2h5x s GLU 11 CO 0.76 -0.13 0.03 0.08 -0.54 0.00 0.00 175.26 175.46 2h5x s VAL 12 N 1.31 2.89 0.00 3.70 1.01 -1.26 -1.35 120.40 126.70 2h5x s VAL 12 Ca -0.07 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2h5x s VAL 12 Cb -0.05 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2h5x s VAL 12 CO -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.70 2h5x n ALA 13 N 4.56 0.00 0.22 5.51 0.00 0.17 -5.02 120.51 125.96 2h5x n ALA 13 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 2h5x n ALA 13 Cb 0.43 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.95 2h5x n ALA 13 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2h5x h LEU 14 N 0.00 0.00 -1.68 0.00 4.07 -1.98 -3.38 115.31 112.34 2h5x h LEU 14 Ca 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2h5x h LEU 14 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2h5x h LEU 14 CO 0.00 0.02 0.00 -0.90 -1.08 0.00 0.00 178.44 176.48 2h5x n ASP 15 N -2.65 0.88 -3.59 -0.43 5.75 -1.26 -4.54 116.55 110.72 2h5x n ASP 15 Ca 0.02 -1.39 -0.03 0.00 -0.01 0.00 0.00 54.79 53.38 2h5x n ASP 15 Cb 0.52 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.39 -0.04 0.05 2.11 -3.43 -1.26 -2.22 115.29 110.11 2h5x s HIS 16 Ca 0.00 -0.28 -0.00 0.00 -0.80 0.00 0.00 55.06 53.98 2h5x s HIS 16 Cb 0.00 0.65 -0.04 0.00 -1.43 0.00 0.00 32.58 31.77 2h5x s HIS 16 CO 0.00 -0.80 -0.04 0.54 -2.00 0.00 0.00 174.74 172.44 2h5x s VAL 17 N -2.75 0.28 -0.22 -5.38 0.11 -0.52 -0.65 120.40 111.27 2h5x s VAL 17 Ca 0.16 -1.70 0.01 0.00 -2.93 0.00 0.00 61.98 57.52 2h5x s VAL 17 Cb -0.01 -1.37 0.05 0.00 -1.53 0.00 0.00 36.38 33.52 2h5x s VAL 17 CO 0.03 -0.91 -0.10 -0.69 -3.33 0.00 0.00 175.10 170.10 2h5x s VAL 18 N -3.52 1.74 -0.16 2.04 1.01 -0.46 -0.69 120.40 120.35 2h5x s VAL 18 Ca 0.05 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 2h5x s VAL 18 Cb 0.05 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 2h5x s VAL 18 CO -0.08 0.09 -0.03 -0.63 0.00 0.00 0.00 175.10 174.45 2h5x s ILE 19 N 1.34 3.94 -0.25 2.22 1.01 -0.70 0.13 121.20 128.88 2h5x s ILE 19 Ca -0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 2h5x s ILE 19 Cb -0.17 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 2h5x s ILE 19 CO -0.07 0.49 0.30 -0.70 0.00 0.00 0.00 174.94 174.95 2h5x s GLU 20 N 0.35 4.04 -0.17 2.79 2.12 -0.65 -0.39 118.70 126.79 2h5x s GLU 20 Ca -0.04 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.23 2h5x s GLU 20 Cb -0.14 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.65 2h5x s GLU 20 CO 0.03 -0.15 -0.20 0.00 -0.54 0.00 0.00 175.26 174.41 2h5x s ALA 21 N 1.66 2.34 -1.42 6.30 0.00 0.18 -2.73 121.76 128.09 2h5x s ALA 21 Ca 0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2h5x s ALA 21 Cb -0.15 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2h5x s ALA 21 CO 0.09 -0.25 0.33 0.00 0.00 0.00 0.00 175.76 175.93 2h5x n ALA 22 N 4.46 -2.10 -0.01 0.00 0.00 -1.26 0.03 120.51 121.63 2h5x n ALA 22 Ca -0.21 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2h5x n ALA 22 Cb 0.51 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.16 2.49 3.63 0.00 0.00 -1.26 -4.98 105.19 102.90 2h5x n GLY 23 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.67 5.21 -0.32 1.61 1.01 0.10 -5.06 120.40 120.28 2h5x s VAL 24 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.95 2h5x s VAL 24 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2h5x s VAL 24 CO 0.00 0.34 0.42 -0.83 0.00 0.00 0.00 175.10 175.03 2h5x s GLY 25 N 1.14 1.87 -0.18 4.51 0.00 -1.26 0.49 107.32 113.89 2h5x s GLY 25 Ca 0.07 -1.00 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 2h5x s GLY 25 CO 0.05 1.10 0.11 -0.19 0.00 0.00 0.00 173.10 174.17 2h5x s TYR 26 N 2.17 3.39 -0.17 1.90 1.51 0.47 -4.90 117.35 121.73 2h5x s TYR 26 Ca 0.15 0.29 -0.24 0.00 -1.01 0.00 0.00 57.07 56.27 2h5x s TYR 26 Cb -0.16 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 2h5x s TYR 26 CO 0.12 0.33 0.77 0.50 -1.11 0.00 0.00 175.55 176.16 2h5x s ARG 27 N 0.10 4.29 -0.13 -0.62 3.52 -1.26 -1.72 118.95 123.12 2h5x s ARG 27 Ca 0.08 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 2h5x s ARG 27 Cb -0.12 -3.57 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2h5x s ARG 27 CO -0.00 -0.28 -0.12 0.54 -0.81 0.00 0.00 175.30 174.63 2h5x s VAL 28 N 1.99 1.34 0.39 7.11 0.11 0.13 -4.31 120.40 127.16 2h5x s VAL 28 Ca 0.36 -0.49 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 2h5x s VAL 28 Cb -0.16 -1.29 -0.09 0.00 -1.53 0.00 0.00 36.38 33.31 2h5x s VAL 28 CO 0.12 0.42 1.17 0.20 -3.33 0.00 0.00 175.10 173.68 2h5x s ASN 29 N 1.53 6.59 0.28 3.54 0.02 -0.45 -1.44 114.94 125.01 2h5x s ASN 29 Ca 0.04 2.34 -0.20 0.00 -1.02 0.00 0.00 52.86 54.02 2h5x s ASN 29 Cb -0.13 -2.62 0.02 0.00 0.02 0.00 0.00 41.25 38.54 2h5x s ASN 29 CO -0.09 -0.63 0.70 0.00 0.02 0.00 0.00 177.10 177.11 2h5x s ALA 30 N -1.40 -1.15 0.49 0.60 0.00 -0.94 -1.21 121.76 118.15 2h5x s ALA 30 Ca 0.56 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.12 2h5x s ALA 30 Cb -0.31 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 2h5x s ALA 30 CO 0.39 -1.03 0.80 0.95 0.00 0.00 0.00 175.76 176.87 2h5x s THR 31 N -3.93 4.80 0.21 0.00 -4.23 -1.26 -4.30 115.64 106.93 2h5x s THR 31 Ca 0.12 0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 2h5x s THR 31 Cb -0.06 -3.83 0.15 0.00 1.34 0.00 0.00 72.50 70.11 2h5x s THR 31 CO 0.07 -0.83 1.72 -0.65 -0.54 0.00 0.00 174.62 174.39 2h5x h PRO 32 N 0.18 0.29 -0.45 3.99 0.11 -1.90 0.19 132.00 134.41 2h5x h PRO 32 Ca -0.47 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.72 2h5x h PRO 32 Cb 1.21 -0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 2h5x h PRO 32 CO 0.62 0.19 -0.23 0.00 -0.21 0.00 0.00 178.00 178.37 2h5x h ALA 33 N 1.46 0.08 -0.42 -0.75 0.00 -1.93 0.47 119.26 118.17 2h5x h ALA 33 Ca 0.31 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 2h5x h ALA 33 Cb 0.44 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2h5x h ALA 33 CO -0.37 -0.58 -0.10 1.15 0.00 0.00 0.00 179.25 179.35 2h5x h THR 34 N -0.14 1.25 -0.35 0.00 2.02 -1.58 -3.15 112.91 110.97 2h5x h THR 34 Ca 0.21 -1.13 -0.14 0.00 0.77 0.00 0.00 66.41 66.13 2h5x h THR 34 Cb 0.47 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2h5x h THR 34 CO -0.53 0.39 -0.31 -0.07 0.37 0.00 0.00 175.52 175.36 2h5x h LEU 35 N 0.68 0.88 -1.44 2.58 -0.00 0.55 -3.16 115.31 115.40 2h5x h LEU 35 Ca 0.12 -0.45 0.27 0.00 -0.00 0.00 0.00 57.88 57.81 2h5x h LEU 35 Cb 0.56 -0.25 -0.09 0.00 -0.00 0.00 0.00 40.66 40.89 2h5x h LEU 35 CO 0.03 1.15 0.68 0.00 -0.00 0.00 0.00 178.44 180.31 2h5x h ALA 36 N 0.76 2.32 0.00 1.53 0.00 -0.08 0.52 119.26 124.31 2h5x h ALA 36 Ca 0.06 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2h5x h ALA 36 Cb 0.89 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2h5x h ALA 36 CO 0.08 -0.71 0.00 0.25 0.00 0.00 0.00 179.25 178.86 2h5x n THR 37 N -4.58 0.31 -3.96 0.00 -2.24 -1.19 -4.82 114.28 97.81 2h5x n THR 37 Ca 0.25 0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.76 2h5x n THR 37 Cb 0.91 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.73 4.25 -0.03 3.22 1.02 0.18 -5.11 118.68 119.49 2h5x s LEU 38 Ca 0.18 0.33 0.02 0.00 0.02 0.00 0.00 54.13 54.69 2h5x s LEU 38 Cb 0.16 -2.35 0.00 0.00 0.02 0.00 0.00 46.19 44.02 2h5x s LEU 38 CO 0.38 0.31 -0.08 -0.13 0.02 0.00 0.00 176.35 176.85 2h5x s ARG 39 N -1.58 0.91 0.51 1.70 0.52 -1.26 -5.02 118.95 114.74 2h5x s ARG 39 Ca 0.22 -0.28 -0.23 0.00 -0.52 0.00 0.00 55.73 54.93 2h5x s ARG 39 Cb -0.12 -0.85 -0.06 0.00 0.52 0.00 0.00 34.95 34.43 2h5x s ARG 39 CO 0.13 0.09 1.31 0.94 0.02 0.00 0.00 175.30 177.79 2h5x n GLN 40 N 3.34 1.74 -0.94 3.54 7.27 -1.26 -2.58 117.38 128.48 2h5x n GLN 40 Ca -0.18 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.52 2h5x n GLN 40 Cb 0.54 -2.50 0.00 0.00 2.41 0.00 0.00 30.24 30.69 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 0.80 0.73 3.79 1.69 0.00 0.84 -4.97 105.19 108.06 2h5x n GLY 41 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.09 3.61 0.45 2.61 2.01 -1.06 -4.85 115.64 115.31 2h5x s THR 42 Ca 0.00 -1.53 -0.09 0.00 0.31 0.00 0.00 61.69 60.38 2h5x s THR 42 Cb 0.00 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2h5x s THR 42 CO 0.00 -0.24 0.79 -0.70 -0.69 0.00 0.00 174.62 173.78 2h5x s GLU 43 N -3.88 3.68 -0.22 4.92 2.56 -1.26 0.47 118.70 124.97 2h5x s GLU 43 Ca 0.37 0.39 -0.27 0.00 0.00 0.00 0.00 54.97 55.46 2h5x s GLU 43 Cb -0.05 -2.36 0.11 0.00 2.00 0.00 0.00 34.13 33.82 2h5x s GLU 43 CO 0.24 -0.13 0.96 0.00 -0.56 0.00 0.00 175.26 175.77 2h5x s ALA 44 N -2.56 -1.92 -0.08 6.30 0.00 0.11 -4.82 121.76 118.79 2h5x s ALA 44 Ca 0.50 1.75 0.04 0.00 0.00 0.00 0.00 51.96 54.25 2h5x s ALA 44 Cb -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.95 2h5x s ALA 44 CO 0.38 -0.28 -0.19 0.50 0.00 0.00 0.00 175.76 176.16 2h5x s ARG 45 N -0.29 2.46 0.06 0.00 3.52 -1.26 -0.58 118.95 122.87 2h5x s ARG 45 Ca 0.00 -0.70 0.08 0.00 -0.13 0.00 0.00 55.73 54.98 2h5x s ARG 45 Cb -0.03 -1.93 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 2h5x s ARG 45 CO -0.02 0.14 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.23 2h5x s LEU 46 N 0.40 2.20 -0.43 -0.88 2.96 -0.71 -4.95 118.68 117.27 2h5x s LEU 46 Ca -0.16 -0.57 -0.20 0.00 -0.22 0.00 0.00 54.13 52.99 2h5x s LEU 46 Cb -0.17 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.55 2h5x s LEU 46 CO 0.06 0.15 0.58 -0.63 -1.32 0.00 0.00 176.35 175.20 2h5x s ILE 47 N -0.88 4.91 0.41 6.68 1.09 -0.16 -2.21 121.20 131.03 2h5x s ILE 47 Ca 0.08 -0.01 0.06 0.00 -1.10 0.00 0.00 60.65 59.68 2h5x s ILE 47 Cb -0.09 -4.15 0.01 0.00 -1.06 0.00 0.00 42.46 37.16 2h5x s ILE 47 CO 0.02 -0.54 0.56 0.42 -0.10 0.00 0.00 174.94 175.31 2h5x s THR 48 N 2.62 3.40 -0.23 2.92 -4.23 0.43 -0.90 115.64 119.65 2h5x s THR 48 Ca 0.20 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.75 2h5x s THR 48 Cb -0.15 -3.17 0.07 0.00 1.34 0.00 0.00 72.50 70.59 2h5x s THR 48 CO 0.17 -0.07 0.05 0.00 -0.54 0.00 0.00 174.62 174.23 2h5x s ALA 49 N -2.34 1.10 -0.23 3.99 0.00 0.30 -4.48 121.76 120.10 2h5x s ALA 49 Ca 0.51 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 51.29 2h5x s ALA 49 Cb -0.10 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2h5x s ALA 49 CO 0.33 -1.32 0.78 1.41 0.00 0.00 0.00 175.76 176.96 2h5x s MET 50 N 1.82 4.20 -0.28 0.00 1.75 -1.23 -2.36 119.30 123.19 2h5x s MET 50 Ca 0.02 0.86 -0.00 0.00 -1.25 0.00 0.00 55.69 55.32 2h5x s MET 50 Cb -0.17 -3.63 0.05 0.00 2.84 0.00 0.00 34.83 33.92 2h5x s MET 50 CO -0.14 -0.44 -0.04 0.42 -0.65 0.00 0.00 175.02 174.17 2h5x s ILE 51 N 2.56 2.72 -0.17 10.11 1.01 0.20 -4.56 121.20 133.07 2h5x s ILE 51 Ca 0.33 -1.40 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 2h5x s ILE 51 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2h5x s ILE 51 CO 0.09 -0.03 0.05 0.68 0.00 0.00 0.00 174.94 175.73 2h5x s VAL 52 N 1.22 4.67 0.44 2.92 -7.23 -1.26 -1.60 120.40 119.57 2h5x s VAL 52 Ca -0.05 -0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.07 2h5x s VAL 52 Cb -0.19 -3.09 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 2h5x s VAL 52 CO -0.03 0.47 0.04 -0.60 -0.31 0.00 0.00 175.10 174.67 2h5x s ARG 53 N 0.30 2.01 0.32 4.82 6.06 -0.59 -5.02 118.95 126.84 2h5x s ARG 53 Ca 0.03 -2.22 -0.00 0.00 -2.50 0.00 0.00 55.73 51.03 2h5x s ARG 53 Cb -0.13 -1.27 0.53 0.00 0.06 0.00 0.00 34.95 34.14 2h5x s ARG 53 CO 0.01 -0.29 1.98 1.49 -2.50 0.00 0.00 175.30 175.99 2h5x h GLU 54 N 1.65 0.96 -0.16 5.12 4.81 -2.06 -3.13 114.58 121.77 2h5x h GLU 54 Ca -0.42 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.69 2h5x h GLU 54 Cb 1.28 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2h5x h GLU 54 CO 0.71 0.65 -0.19 -0.25 -0.73 0.00 0.00 179.01 179.20 2h5x n ASP 55 N -4.42 2.39 -3.51 1.04 8.00 -1.26 -5.04 116.55 113.75 2h5x n ASP 55 Ca 0.08 -3.59 -0.08 0.00 0.71 0.00 0.00 54.79 51.91 2h5x n ASP 55 Cb 0.04 -0.55 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 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 -2.75 -0.37 -0.26 -2.24 1.04 -1.18 -5.13 113.70 102.80 2h5x s SER 56 Ca 0.40 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.79 2h5x s SER 56 Cb 0.36 0.41 0.13 0.00 0.10 0.00 0.00 66.02 67.02 2h5x s SER 56 CO -0.01 -0.67 0.31 -0.32 0.98 0.00 0.00 173.24 173.53 2h5x s MET 57 N -3.19 0.31 0.11 4.02 1.75 -1.26 -1.55 119.30 119.49 2h5x s MET 57 Ca 0.05 0.12 0.10 0.00 -1.25 0.00 0.00 55.69 54.70 2h5x s MET 57 Cb -0.01 -0.70 -0.04 0.00 2.84 0.00 0.00 34.83 36.92 2h5x s MET 57 CO -0.09 -0.86 -0.24 0.99 -0.65 0.00 0.00 175.02 174.17 2h5x s THR 58 N 2.42 1.99 -0.07 10.11 2.01 -0.63 -4.97 115.64 126.50 2h5x s THR 58 Ca 0.10 -1.62 0.01 0.00 0.31 0.00 0.00 61.69 60.49 2h5x s THR 58 Cb -0.14 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2h5x s THR 58 CO -0.24 0.05 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.88 2h5x s LEU 59 N -1.91 3.02 -0.12 4.42 1.43 -1.26 -0.63 118.68 123.63 2h5x s LEU 59 Ca 0.10 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2h5x s LEU 59 Cb -0.10 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.50 2h5x s LEU 59 CO 0.05 0.34 -0.08 -0.31 0.23 0.00 0.00 176.35 176.58 2h5x s TYR 60 N -0.71 1.58 0.19 0.29 1.51 -1.00 -1.33 117.35 117.88 2h5x s TYR 60 Ca 0.11 -0.83 0.07 0.00 -1.01 0.00 0.00 57.07 55.40 2h5x s TYR 60 Cb -0.11 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 2h5x s TYR 60 CO 0.01 -0.54 0.08 0.20 -1.11 0.00 0.00 175.55 174.19 2h5x s GLY 61 N 1.68 1.68 0.12 0.71 0.00 -0.35 -0.54 107.32 110.61 2h5x s GLY 61 Ca 0.04 -1.34 -0.09 0.00 0.00 0.00 0.00 44.72 43.33 2h5x s GLY 61 CO -0.08 -1.36 0.23 -1.36 0.00 0.00 0.00 173.10 170.52 2h5x s PHE 62 N -1.84 0.25 0.15 1.90 0.40 -0.07 -4.65 117.98 114.12 2h5x s PHE 62 Ca 0.30 -0.65 -0.18 0.00 -0.60 0.00 0.00 56.93 55.80 2h5x s PHE 62 Cb -0.09 -0.06 0.04 0.00 0.51 0.00 0.00 43.02 43.42 2h5x s PHE 62 CO 0.21 -0.62 1.71 -1.35 0.70 0.00 0.00 175.22 175.87 2h5x h PRO 63 N 2.66 0.09 -5.03 0.24 0.11 -1.93 -0.39 132.00 127.75 2h5x h PRO 63 Ca -0.33 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.19 2h5x h PRO 63 Cb 1.21 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 2h5x h PRO 63 CO 0.53 0.06 -0.49 0.16 -0.21 0.00 0.00 178.00 178.04 2h5x s ASP 64 N -5.25 2.98 0.22 -2.05 1.47 -1.26 -4.57 116.67 108.20 2h5x s ASP 64 Ca -0.13 -1.73 0.12 0.00 1.18 0.00 0.00 52.55 51.99 2h5x s ASP 64 Cb 0.12 0.61 -0.03 0.00 -0.34 0.00 0.00 42.92 43.28 2h5x s ASP 64 CO 0.70 -0.99 1.37 1.23 0.68 0.00 0.00 175.17 178.16 2h5x h GLY 65 N 1.70 0.00 1.01 2.12 0.00 -1.92 -2.71 103.07 103.27 2h5x h GLY 65 Ca -0.34 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 2h5x h GLY 65 CO 0.55 0.00 0.20 0.83 0.00 0.00 0.00 176.54 178.12 2h5x h GLU 66 N 0.00 0.96 -0.02 4.80 3.07 -1.98 -0.13 114.58 121.27 2h5x h GLU 66 Ca -0.01 -0.20 -0.01 0.00 -0.50 0.00 0.00 59.36 58.63 2h5x h GLU 66 Cb 1.52 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.29 2h5x h GLU 66 CO 0.09 0.84 -0.03 1.15 -1.40 0.00 0.00 179.01 179.66 2h5x h THR 67 N 0.88 1.39 -1.00 1.13 2.02 -1.98 -2.03 112.91 113.32 2h5x h THR 67 Ca 0.20 -1.20 0.13 0.00 0.77 0.00 0.00 66.41 66.30 2h5x h THR 67 Cb 0.28 2.16 -0.09 0.00 -1.74 0.00 0.00 68.15 68.76 2h5x h THR 67 CO -0.01 0.32 0.63 -0.09 0.37 0.00 0.00 175.52 176.74 2h5x h ARG 68 N -0.42 0.94 -0.62 6.66 1.12 -1.36 0.10 114.38 120.79 2h5x h ARG 68 Ca 0.00 -0.06 -0.08 0.00 -1.11 0.00 0.00 59.98 58.74 2h5x h ARG 68 Cb 0.53 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 2h5x h ARG 68 CO 0.01 0.62 0.07 -0.44 -3.11 0.00 0.00 179.97 177.12 2h5x h ASP 69 N 0.97 1.00 -0.85 -3.80 3.32 -0.97 -2.35 116.42 113.74 2h5x h ASP 69 Ca 0.50 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 57.32 2h5x h ASP 69 Cb 0.53 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2h5x h ASP 69 CO -0.27 1.02 0.56 0.25 -1.72 0.00 0.00 179.24 179.07 2h5x h LEU 70 N 0.97 0.96 0.00 1.55 5.85 -0.07 -1.19 115.31 123.38 2h5x h LEU 70 Ca 0.19 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2h5x h LEU 70 Cb 0.46 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2h5x h LEU 70 CO 0.02 0.68 -0.00 0.15 -0.34 0.00 0.00 178.44 178.95 2h5x h PHE 71 N 1.13 -0.01 -0.57 1.25 3.57 -0.87 -1.03 116.94 120.41 2h5x h PHE 71 Ca 0.32 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.87 2h5x h PHE 71 Cb -0.08 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2h5x h PHE 71 CO -0.00 0.09 0.38 -0.07 -2.23 0.00 0.00 178.31 176.48 2h5x h LEU 72 N -0.10 0.50 -0.27 0.59 4.07 -0.91 -1.90 115.31 117.29 2h5x h LEU 72 Ca -0.00 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 2h5x h LEU 72 Cb 0.10 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 2h5x h LEU 72 CO 0.00 0.33 -0.30 0.74 -1.08 0.00 0.00 178.44 178.13 2h5x h THR 73 N 0.57 1.31 -0.73 0.22 2.02 -0.78 -2.77 112.91 112.74 2h5x h THR 73 Ca 0.24 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 65.99 2h5x h THR 73 Cb 0.24 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2h5x h THR 73 CO -0.07 0.47 0.48 -0.07 0.37 0.00 0.00 175.52 176.70 2h5x h LEU 74 N 0.41 0.74 -1.84 2.58 3.38 -0.51 -1.03 115.31 119.05 2h5x h LEU 74 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2h5x h LEU 74 Cb 0.87 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2h5x h LEU 74 CO 0.07 0.51 -0.12 -0.07 0.09 0.00 0.00 178.44 178.91 2h5x h LEU 75 N 0.86 0.00 0.00 1.67 3.38 -1.09 -2.53 115.31 117.61 2h5x h LEU 75 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2h5x h LEU 75 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2h5x h LEU 75 CO -0.09 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 2h5x n SER 76 N -4.17 0.00 -4.82 -0.43 3.41 -0.39 -4.73 113.62 102.49 2h5x n SER 76 Ca -0.02 0.26 -0.36 0.00 -0.26 0.00 0.00 58.87 58.48 2h5x n SER 76 Cb 0.20 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.71 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 -2.77 4.67 0.04 -3.33 1.01 -0.95 -5.01 120.40 114.07 2h5x s VAL 77 Ca 0.11 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 2h5x s VAL 77 Cb 0.10 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.56 2h5x s VAL 77 CO 0.26 0.30 1.64 -0.44 0.00 0.00 0.00 175.10 176.85 2h5x s SER 78 N -1.55 6.63 0.00 3.32 0.01 -1.26 -2.25 113.70 118.60 2h5x s SER 78 Ca 0.39 2.42 0.00 0.00 1.31 0.00 0.00 55.95 60.06 2h5x s SER 78 Cb -0.17 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2h5x s SER 78 CO 0.20 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2h5x n GLY 79 N 4.00 0.86 3.28 3.44 0.00 -1.26 -5.02 105.19 110.49 2h5x n GLY 79 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.86 4.29 0.54 1.61 1.01 -0.95 -5.04 120.40 118.99 2h5x s VAL 80 Ca 0.00 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 60.69 2h5x s VAL 80 Cb 0.00 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.81 2h5x s VAL 80 CO 0.00 -0.51 0.64 -0.83 0.00 0.00 0.00 175.10 174.40 2h5x s GLY 81 N 2.15 1.94 0.20 4.51 0.00 -1.26 -4.47 107.32 110.39 2h5x s GLY 81 Ca 0.03 -1.86 -0.15 0.00 0.00 0.00 0.00 44.72 42.74 2h5x s GLY 81 CO 0.02 -1.73 1.34 -1.05 0.00 0.00 0.00 173.10 171.69 2h5x n PRO 82 N -2.02 -0.21 0.39 2.90 -0.02 -1.26 -1.21 135.00 133.58 2h5x n PRO 82 Ca 0.10 1.33 -0.18 0.00 -2.02 0.00 0.00 63.50 62.73 2h5x n PRO 82 Cb 0.62 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 2h5x n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h5x h ARG 83 N 0.00 -0.94 -0.96 -0.52 3.08 -1.99 -1.26 114.38 111.79 2h5x h ARG 83 Ca 0.30 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.52 2h5x h ARG 83 Cb 0.51 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.71 2h5x h ARG 83 CO -0.86 -0.62 0.61 1.25 -1.07 0.00 0.00 179.97 179.29 2h5x h LEU 84 N -1.02 0.89 -0.42 3.04 5.85 -1.81 0.36 115.31 122.19 2h5x h LEU 84 Ca -0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2h5x h LEU 84 Cb 0.76 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2h5x h LEU 84 CO 0.16 0.51 0.28 0.00 -0.34 0.00 0.00 178.44 179.05 2h5x h ALA 85 N 1.53 0.54 -0.46 1.25 0.00 -1.02 -0.09 119.26 121.02 2h5x h ALA 85 Ca 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2h5x h ALA 85 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2h5x h ALA 85 CO -0.21 -0.01 0.18 0.52 0.00 0.00 0.00 179.25 179.72 2h5x h MET 86 N 0.57 0.69 -0.60 0.00 2.86 0.11 -2.67 114.93 115.89 2h5x h MET 86 Ca 0.16 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2h5x h MET 86 Cb -0.06 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 2h5x h MET 86 CO -0.04 0.63 0.38 0.00 1.06 0.00 0.00 176.91 178.94 2h5x h ALA 87 N 1.02 0.77 -0.48 6.32 0.00 -0.61 0.46 119.26 126.75 2h5x h ALA 87 Ca 0.15 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2h5x h ALA 87 Cb 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2h5x h ALA 87 CO -0.01 0.14 0.09 0.00 0.00 0.00 0.00 179.25 179.47 2h5x h ALA 88 N 1.24 0.53 -0.09 0.00 0.00 -0.82 -0.40 119.26 119.73 2h5x h ALA 88 Ca 0.23 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2h5x h ALA 88 Cb -0.03 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2h5x h ALA 88 CO -0.08 -0.31 -0.58 -0.07 0.00 0.00 0.00 179.25 178.21 2h5x h LEU 89 N 0.23 0.31 -0.93 0.00 3.38 -1.01 0.19 115.31 117.47 2h5x h LEU 89 Ca 0.24 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2h5x h LEU 89 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2h5x h LEU 89 CO -0.32 0.82 0.06 0.00 0.09 0.00 0.00 178.44 179.09 2h5x h ALA 90 N 1.19 1.12 0.11 1.53 0.00 0.71 -3.04 119.26 120.89 2h5x h ALA 90 Ca -0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 2h5x h ALA 90 Cb 1.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2h5x h ALA 90 CO 0.09 0.57 -1.36 0.28 0.00 0.00 0.00 179.25 178.84 2h5x h VAL 91 N 0.80 1.35 -3.29 0.00 2.07 -0.96 -3.45 116.25 112.78 2h5x h VAL 91 Ca 0.16 -2.97 -0.53 0.00 0.82 0.00 0.00 66.70 64.19 2h5x h VAL 91 Cb 0.39 2.85 -0.38 0.00 -1.52 0.00 0.00 31.29 32.63 2h5x h VAL 91 CO 0.01 0.86 -0.79 -1.00 0.02 0.00 0.00 177.57 176.67 2h5x s HIS 92 N -2.64 1.41 0.85 1.57 3.76 0.65 -5.07 115.29 115.82 2h5x s HIS 92 Ca -0.06 -0.87 -0.14 0.00 -0.15 0.00 0.00 55.06 53.85 2h5x s HIS 92 Cb 0.07 -1.18 0.03 0.00 1.11 0.00 0.00 32.58 32.61 2h5x s HIS 92 CO 0.87 -0.56 0.70 -0.25 -0.85 0.00 0.00 174.74 174.65 2h5x n ASP 93 N 4.95 -0.86 -0.19 1.40 8.00 -1.25 -4.13 116.55 124.47 2h5x n ASP 93 Ca -0.11 0.48 -0.11 0.00 0.71 0.00 0.00 54.79 55.76 2h5x n ASP 93 Cb 0.48 -1.31 -0.07 0.00 -0.02 0.00 0.00 41.12 40.21 2h5x n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h5x h ALA 94 N -1.06 -0.53 -0.74 2.24 0.00 -1.96 0.40 119.26 117.60 2h5x h ALA 94 Ca -0.45 0.06 0.16 0.00 0.00 0.00 0.00 54.91 54.69 2h5x h ALA 94 Cb 1.31 1.05 -0.11 0.00 0.00 0.00 0.00 17.79 20.03 2h5x h ALA 94 CO 0.40 -0.93 0.18 -1.35 0.00 0.00 0.00 179.25 177.55 2h5x h PRO 95 N -0.29 0.26 0.21 0.00 0.11 -1.99 0.33 132.00 130.62 2h5x h PRO 95 Ca 0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 2h5x h PRO 95 Cb 0.57 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2h5x h PRO 95 CO -0.66 0.17 -0.10 0.00 -0.21 0.00 0.00 178.00 177.20 2h5x h ALA 96 N 1.61 -0.28 -0.76 -0.75 0.00 -1.59 -2.02 119.26 115.48 2h5x h ALA 96 Ca 0.42 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.29 2h5x h ALA 96 Cb 0.71 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 2h5x h ALA 96 CO -0.52 -0.37 0.08 1.25 0.00 0.00 0.00 179.25 179.70 2h5x h LEU 97 N -0.86 -0.20 0.57 0.00 5.85 0.33 0.43 115.31 121.44 2h5x h LEU 97 Ca -0.03 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2h5x h LEU 97 Cb 0.51 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2h5x h LEU 97 CO 0.05 -0.13 -0.39 0.03 -0.34 0.00 0.00 178.44 177.65 2h5x h ARG 98 N 0.16 -0.89 -0.68 1.25 3.08 -0.40 -1.56 114.38 115.34 2h5x h ARG 98 Ca 0.43 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.64 2h5x h ARG 98 Cb 0.76 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.90 2h5x h ARG 98 CO -0.61 -0.59 -0.43 1.96 -1.07 0.00 0.00 179.97 179.22 2h5x h GLN 99 N -0.92 -0.16 -0.60 0.04 4.20 0.18 0.17 115.11 118.02 2h5x h GLN 99 Ca -0.07 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.78 2h5x h GLN 99 Cb 0.76 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.48 2h5x h GLN 99 CO 0.04 -0.11 0.02 0.28 -0.67 0.00 0.00 178.83 178.39 2h5x h VAL 100 N -0.17 0.52 0.00 -0.54 2.07 -0.09 0.20 116.25 118.25 2h5x h VAL 100 Ca 0.21 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2h5x h VAL 100 Cb 0.55 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2h5x h VAL 100 CO -0.76 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.04 2h5x n LEU 101 N -5.26 0.00 -0.11 2.57 4.77 0.54 -1.19 117.00 118.33 2h5x n LEU 101 Ca 0.09 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 56.13 2h5x n LEU 101 Cb 0.34 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2h5x n LEU 101 CO 0.12 -0.18 -1.22 0.00 -1.33 0.00 0.00 177.39 174.78 2h5x n ALA 102 N -1.26 1.58 1.32 -1.18 0.00 0.52 -4.20 120.51 117.29 2h5x n ALA 102 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2h5x n ALA 102 Cb 0.07 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2h5x n ALA 102 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h5x n ASP 103 N -3.66 0.04 -1.83 0.00 8.00 -0.12 -4.79 116.55 114.19 2h5x n ASP 103 Ca -0.40 -1.36 -0.07 0.00 0.71 0.00 0.00 54.79 53.66 2h5x n ASP 103 Cb 0.83 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.89 2h5x n ASP 103 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h5x n GLY 104 N 0.18 0.10 3.56 0.44 0.00 -0.33 -4.75 105.19 104.39 2h5x n GLY 104 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.81 3.97 0.31 1.61 3.84 -0.47 -4.72 114.94 117.68 2h5x s ASN 105 Ca 0.00 0.10 0.17 0.00 0.21 0.00 0.00 52.86 53.33 2h5x s ASN 105 Cb 0.00 -2.55 0.26 0.00 -0.55 0.00 0.00 41.25 38.42 2h5x s ASN 105 CO 0.00 -3.77 1.54 0.58 -2.79 0.00 0.00 177.10 172.66 2h5x h VAL 106 N 7.67 0.82 0.12 -5.21 2.07 -1.87 -3.11 116.25 116.75 2h5x h VAL 106 Ca -0.01 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 2h5x h VAL 106 Cb 1.02 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2h5x h VAL 106 CO 1.02 0.44 -0.06 0.00 0.02 0.00 0.00 177.57 178.99 2h5x h ALA 107 N 1.55 -0.17 0.02 1.67 0.00 -1.99 -2.51 119.26 117.83 2h5x h ALA 107 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2h5x h ALA 107 Cb 1.23 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2h5x h ALA 107 CO 0.06 -0.51 -0.14 0.00 0.00 0.00 0.00 179.25 178.65 2h5x h ALA 108 N 0.53 -0.18 -0.51 0.00 0.00 -1.96 -2.92 119.26 114.22 2h5x h ALA 108 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2h5x h ALA 108 Cb 0.26 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2h5x h ALA 108 CO 0.03 -0.64 0.11 -0.07 0.00 0.00 0.00 179.25 178.67 2h5x h LEU 109 N -0.25 0.01 -0.90 0.00 3.38 -1.54 -2.07 115.31 113.94 2h5x h LEU 109 Ca 0.04 0.09 0.24 0.00 0.09 0.00 0.00 57.88 58.34 2h5x h LEU 109 Cb 0.30 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.04 2h5x h LEU 109 CO -0.13 0.03 0.37 0.74 0.09 0.00 0.00 178.44 179.55 2h5x h THR 110 N 0.25 0.41 -0.99 0.22 2.02 -1.25 0.17 112.91 113.74 2h5x h THR 110 Ca 0.26 -0.12 0.23 0.00 0.77 0.00 0.00 66.41 67.56 2h5x h THR 110 Cb 0.34 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 66.71 2h5x h THR 110 CO -0.33 0.06 0.64 0.03 0.37 0.00 0.00 175.52 176.29 2h5x h ARG 111 N 0.34 0.44 -6.27 6.66 3.08 -1.35 -3.39 114.38 113.89 2h5x h ARG 111 Ca 0.58 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 60.06 2h5x h ARG 111 Cb 1.15 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 31.11 2h5x h ARG 111 CO -0.57 0.29 1.27 0.08 -1.07 0.00 0.00 179.97 179.97 2h5x s VAL 112 N -5.52 3.10 0.04 2.04 1.01 0.61 -4.86 120.40 116.81 2h5x s VAL 112 Ca -0.09 0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.66 2h5x s VAL 112 Cb 0.24 -3.08 -0.13 0.00 0.00 0.00 0.00 36.38 33.41 2h5x s VAL 112 CO 0.79 -0.02 1.72 -2.65 0.00 0.00 0.00 175.10 174.95 2h5x n PRO 113 N 7.78 2.15 0.00 2.72 -0.02 -1.26 -1.78 135.00 144.59 2h5x n PRO 113 Ca 0.22 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2h5x n PRO 113 Cb 0.42 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2h5x n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h5x n GLY 114 N 3.89 1.43 3.28 -1.23 0.00 -1.26 -4.95 105.19 106.35 2h5x n GLY 114 Ca 0.20 0.00 -0.41 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 -2.18 4.38 0.59 -0.61 1.01 -0.73 -5.02 121.20 118.63 2h5x s ILE 115 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 60.65 59.18 2h5x s ILE 115 Cb 0.00 -3.68 0.14 0.00 0.01 0.00 0.00 42.46 38.93 2h5x s ILE 115 CO 0.00 -0.53 0.68 0.61 0.00 0.00 0.00 174.94 175.70 2h5x n GLY 116 N 4.96 -1.86 0.22 6.18 0.00 -1.26 -4.20 105.19 109.23 2h5x n GLY 116 Ca -0.10 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 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 0.70 0.09 1.61 1.79 -1.96 -1.73 116.57 117.07 2h5x h LYS 117 Ca -0.23 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.11 2h5x h LYS 117 Cb 0.67 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2h5x h LYS 117 CO 0.16 0.62 -0.04 0.00 -1.08 0.00 0.00 179.45 179.11 2h5x h ARG 118 N 0.62 -0.12 -0.73 3.15 -0.00 -1.99 -2.74 114.38 112.57 2h5x h ARG 118 Ca 0.16 0.01 0.16 0.00 -0.50 0.00 0.00 59.98 59.80 2h5x h ARG 118 Cb 0.18 0.03 -0.13 0.00 0.00 0.00 0.00 29.97 30.04 2h5x h ARG 118 CO -0.01 0.36 -0.06 0.78 0.00 0.00 0.00 179.97 181.04 2h5x h GLY 119 N -0.66 0.72 0.88 0.04 0.00 -1.90 0.28 103.07 102.43 2h5x h GLY 119 Ca -0.01 0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.49 2h5x h GLY 119 CO 0.02 -0.28 0.39 0.00 0.00 0.00 0.00 176.54 176.67 2h5x h ALA 120 N 1.70 0.82 -0.86 3.60 0.00 -1.34 -1.77 119.26 121.41 2h5x h ALA 120 Ca 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2h5x h ALA 120 Cb 0.64 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2h5x h ALA 120 CO -0.68 0.15 0.56 0.93 0.00 0.00 0.00 179.25 180.21 2h5x h GLU 121 N 0.77 1.14 -0.41 0.00 5.08 -0.21 0.12 114.58 121.07 2h5x h GLU 121 Ca 0.25 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2h5x h GLU 121 Cb 0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2h5x h GLU 121 CO -0.10 0.76 -0.23 0.00 -1.00 0.00 0.00 179.01 178.45 2h5x h ARG 122 N 1.17 0.83 -0.02 2.33 3.08 -0.57 -0.20 114.38 121.00 2h5x h ARG 122 Ca 0.31 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2h5x h ARG 122 Cb -0.12 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2h5x h ARG 122 CO -0.07 0.98 0.00 0.52 -1.07 0.00 0.00 179.97 180.33 2h5x h MET 123 N 0.72 0.03 -0.68 0.04 2.86 -0.65 0.61 114.93 117.87 2h5x h MET 123 Ca 0.10 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2h5x h MET 123 Cb 0.76 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 2h5x h MET 123 CO 0.06 0.27 0.44 0.28 1.06 0.00 0.00 176.91 179.02 2h5x h VAL 124 N -0.22 1.13 -0.25 -2.22 2.07 -0.91 -1.16 116.25 114.70 2h5x h VAL 124 Ca 0.01 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2h5x h VAL 124 Cb 0.26 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2h5x h VAL 124 CO 0.00 0.16 0.05 0.25 0.02 0.00 0.00 177.57 178.05 2h5x h LEU 125 N 0.87 0.38 -0.87 2.57 5.85 -0.91 -3.12 115.31 120.08 2h5x h LEU 125 Ca 0.26 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2h5x h LEU 125 Cb -0.05 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2h5x h LEU 125 CO -0.08 0.52 0.06 -0.33 -0.34 0.00 0.00 178.44 178.27 2h5x h GLU 126 N 0.22 0.90 -2.05 1.25 3.07 -0.64 -3.40 114.58 113.92 2h5x h GLU 126 Ca 0.08 -0.23 -0.52 0.00 -0.50 0.00 0.00 59.36 58.19 2h5x h GLU 126 Cb 0.30 -0.11 -0.35 0.00 -0.84 0.00 0.00 28.75 27.75 2h5x h GLU 126 CO 0.00 0.85 -0.92 1.47 -1.40 0.00 0.00 179.01 179.02 2h5x n LEU 127 N -4.22 -0.86 -0.04 1.33 -0.00 -0.46 -4.80 117.00 107.95 2h5x n LEU 127 Ca 0.03 -4.20 -0.05 0.00 -0.00 0.00 0.00 56.01 51.80 2h5x n LEU 127 Cb 0.28 0.60 -0.04 0.00 -0.00 0.00 0.00 43.42 44.26 2h5x n LEU 127 CO 0.42 1.91 -0.75 0.54 -0.00 0.00 0.00 177.39 179.50 2h5x n ARG 128 N 2.58 1.11 -1.17 1.47 1.74 -1.18 -4.53 116.66 116.68 2h5x n ARG 128 Ca 0.26 0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 57.17 2h5x n ARG 128 Cb 0.50 -1.17 0.16 0.00 -1.02 0.00 0.00 32.46 30.93 2h5x n ARG 128 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2h5x n ASP 129 N -2.58 4.11 -0.44 0.55 9.92 -1.26 -4.22 116.55 122.64 2h5x n ASP 129 Ca -0.13 -3.71 0.00 0.00 -0.53 0.00 0.00 54.79 50.42 2h5x n ASP 129 Cb 0.68 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 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 -1.08 0.00 0.00 -1.24 4.81 -1.26 -4.71 118.16 114.68 2h5x n LYS 130 Ca 0.51 -0.88 0.00 0.00 -0.87 0.00 0.00 58.31 57.07 2h5x n LYS 130 Cb 1.26 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 35.84 2h5x n LYS 130 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2h5x n VAL 131 N 0.00 0.00 0.00 3.15 0.31 -1.26 -5.01 118.33 115.52 2h5x n VAL 131 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2h5x n VAL 131 Cb 0.66 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 2h5x n VAL 131 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2h5x n GLY 132 N 2.43 -1.29 2.74 2.92 0.00 -1.26 -5.14 105.19 105.59 2h5x n GLY 132 Ca 0.00 0.56 -0.04 0.00 0.00 0.00 0.00 46.02 46.53 2h5x n GLY 132 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2h5x n VAL 133 N 0.00 0.96 0.00 1.61 0.31 -1.26 -5.03 118.33 114.91 2h5x n VAL 133 Ca 0.00 -2.71 0.00 0.00 -0.01 0.00 0.00 64.34 61.62 2h5x n VAL 133 Cb 0.00 1.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 2h5x n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h5x n ALA 146 N -0.46 0.00 0.00 3.52 0.00 -1.26 -4.80 120.51 117.52 2h5x n ALA 146 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2h5x n ALA 146 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 2h5x n ALA 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2h5x n VAL 147 N -0.10 0.00 0.00 0.00 0.31 -1.26 -3.35 118.33 113.93 2h5x n VAL 147 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2h5x n VAL 147 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2h5x n VAL 147 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2h5x n ARG 148 N 0.00 0.00 -0.26 5.55 0.63 -1.26 -2.56 116.66 118.76 2h5x n ARG 148 Ca 0.00 0.65 0.07 0.00 -0.92 0.00 0.00 57.85 57.64 2h5x n ARG 148 Cb 0.00 -1.31 0.20 0.00 0.45 0.00 0.00 32.46 31.80 2h5x n ARG 148 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2h5x h SER 149 N 0.00 0.01 -0.67 6.15 0.87 -2.00 -2.07 113.55 115.83 2h5x h SER 149 Ca 0.00 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2h5x h SER 149 Cb 0.00 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.12 2h5x h SER 149 CO 0.00 -0.06 0.40 -0.65 -0.53 0.00 0.00 176.83 176.00 2h5x h PRO 150 N 0.26 0.74 -0.66 2.24 0.11 -1.77 -1.51 132.00 131.41 2h5x h PRO 150 Ca 0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.46 2h5x h PRO 150 Cb 0.77 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 2h5x h PRO 150 CO -0.54 0.49 0.24 0.28 -0.21 0.00 0.00 178.00 178.27 2h5x h VAL 151 N 0.77 1.24 -0.07 3.15 2.07 -1.10 -1.23 116.25 121.07 2h5x h VAL 151 Ca 0.28 -0.77 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 2h5x h VAL 151 Cb 0.09 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2h5x h VAL 151 CO -0.14 0.30 -0.71 -0.37 0.02 0.00 0.00 177.57 176.67 2h5x h VAL 152 N 0.96 1.39 -0.82 2.57 -1.51 -1.20 -2.03 116.25 115.62 2h5x h VAL 152 Ca 0.22 -2.15 -0.01 0.00 -1.23 0.00 0.00 66.70 63.53 2h5x h VAL 152 Cb 0.22 2.12 -0.04 0.00 -2.13 0.00 0.00 31.29 31.46 2h5x h VAL 152 CO -0.02 0.64 0.46 -0.08 -1.23 0.00 0.00 177.57 177.35 2h5x h GLU 153 N 0.24 1.13 -0.41 5.19 4.81 -0.83 0.23 114.58 124.95 2h5x h GLU 153 Ca -0.03 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2h5x h GLU 153 Cb 1.28 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2h5x h GLU 153 CO 0.12 0.82 0.27 0.00 -0.73 0.00 0.00 179.01 179.48 2h5x h ALA 154 N 1.25 0.51 -0.34 2.92 0.00 -1.01 0.10 119.26 122.70 2h5x h ALA 154 Ca 0.29 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 2h5x h ALA 154 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2h5x h ALA 154 CO -0.05 -0.04 -0.32 -0.07 0.00 0.00 0.00 179.25 178.78 2h5x h LEU 155 N 0.54 0.76 -1.10 0.00 3.38 -0.74 -2.20 115.31 115.94 2h5x h LEU 155 Ca 0.15 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2h5x h LEU 155 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2h5x h LEU 155 CO -0.04 1.02 -0.43 0.58 0.09 0.00 0.00 178.44 179.66 2h5x h VAL 156 N 0.62 1.31 -0.09 1.22 2.07 -0.27 -0.40 116.25 120.71 2h5x h VAL 156 Ca 0.07 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.01 2h5x h VAL 156 Cb 0.84 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2h5x h VAL 156 CO 0.07 0.43 -0.34 1.23 0.02 0.00 0.00 177.57 178.98 2h5x h GLY 157 N 1.28 0.18 0.52 2.17 0.00 -0.28 -1.57 103.07 105.37 2h5x h GLY 157 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2h5x h GLY 157 CO 0.06 0.14 0.00 1.04 0.00 0.00 0.00 176.54 177.78 2h5x n LEU 158 N -4.10 0.43 0.00 3.11 4.77 -0.88 -4.88 117.00 115.45 2h5x n LEU 158 Ca -0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2h5x n LEU 158 Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2h5x n LEU 158 CO 0.40 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2h5x n GLY 159 N 1.02 0.99 3.86 -0.72 0.00 -0.59 -5.09 105.19 104.66 2h5x n GLY 159 Ca 0.21 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 3.42 0.21 1.61 0.08 -0.21 -4.99 117.98 116.10 2h5x s PHE 160 Ca 0.00 1.10 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 2h5x s PHE 160 Cb 0.00 -2.46 -0.08 0.00 -0.57 0.00 0.00 43.02 39.91 2h5x s PHE 160 CO 0.00 0.02 1.16 0.00 -0.10 0.00 0.00 175.22 176.30 2h5x s ALA 161 N -2.14 3.42 0.07 5.36 0.00 -1.26 -4.28 121.76 122.93 2h5x s ALA 161 Ca 0.52 0.92 -0.27 0.00 0.00 0.00 0.00 51.96 53.14 2h5x s ALA 161 Cb -0.10 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.50 2h5x s ALA 161 CO 0.24 -0.31 1.42 0.00 0.00 0.00 0.00 175.76 177.11 2h5x h ALA 162 N 4.89 -1.02 0.00 0.00 0.00 -1.96 0.32 119.26 121.49 2h5x h ALA 162 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2h5x h ALA 162 Cb 1.21 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2h5x h ALA 162 CO 0.72 -1.06 0.00 1.17 0.00 0.00 0.00 179.25 180.08 2h5x n LYS 163 N -4.71 0.22 0.00 0.00 0.00 -1.26 -0.35 118.16 112.05 2h5x n LYS 163 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 2h5x n LYS 163 Cb 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.33 2h5x n LYS 163 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2h5x n GLN 164 N -0.17 1.71 -0.19 1.64 7.27 -0.95 -4.38 117.38 122.32 2h5x n GLN 164 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 2h5x n GLN 164 Cb 0.02 -0.84 0.01 0.00 2.41 0.00 0.00 30.24 31.84 2h5x n GLN 164 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2h5x h ALA 165 N 0.00 0.70 0.00 1.69 0.00 0.26 -1.83 119.26 120.08 2h5x h ALA 165 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2h5x h ALA 165 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2h5x h ALA 165 CO 0.00 0.42 0.00 1.05 0.00 0.00 0.00 179.25 180.72 2h5x h GLU 166 N 0.75 0.00 -0.12 0.00 4.11 -1.11 -2.45 114.58 115.76 2h5x h GLU 166 Ca 0.16 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.42 2h5x h GLU 166 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2h5x h GLU 166 CO 0.01 0.00 -0.63 0.93 0.07 0.00 0.00 179.01 179.39 2h5x h GLU 167 N 0.00 0.45 -0.07 1.06 5.08 -1.55 -2.37 114.58 117.19 2h5x h GLU 167 Ca 0.00 -0.32 -0.23 0.00 -1.00 0.00 0.00 59.36 57.81 2h5x h GLU 167 Cb 0.72 0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.04 2h5x h GLU 167 CO 0.00 0.94 -0.84 0.00 -1.00 0.00 0.00 179.01 178.11 2h5x h ALA 168 N 0.98 0.19 -0.63 3.43 0.00 -1.20 -3.03 119.26 119.01 2h5x h ALA 168 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2h5x h ALA 168 Cb 1.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2h5x h ALA 168 CO 0.11 0.61 0.36 1.15 0.00 0.00 0.00 179.25 181.48 2h5x h THR 169 N 0.36 1.18 -0.28 0.00 2.02 -1.40 -0.76 112.91 114.02 2h5x h THR 169 Ca -0.09 -0.43 -0.18 0.00 0.77 0.00 0.00 66.41 66.48 2h5x h THR 169 Cb 1.49 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2h5x h THR 169 CO 0.17 0.20 -0.52 0.44 0.37 0.00 0.00 175.52 176.17 2h5x h ASP 170 N 0.87 0.95 0.01 4.18 3.32 -1.46 -0.03 116.42 124.26 2h5x h ASP 170 Ca 0.23 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 2h5x h ASP 170 Cb -0.01 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 2h5x h ASP 170 CO -0.04 1.30 -0.00 0.74 -1.72 0.00 0.00 179.24 179.52 2h5x h THR 171 N 0.64 0.99 0.64 0.35 2.02 -1.33 0.30 112.91 116.51 2h5x h THR 171 Ca 0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2h5x h THR 171 Cb 1.13 0.99 0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2h5x h THR 171 CO 0.12 0.00 -0.31 0.58 0.37 0.00 0.00 175.52 176.28 2h5x h VAL 172 N -0.01 0.36 -0.75 3.16 2.07 -1.13 0.36 116.25 120.31 2h5x h VAL 172 Ca -0.00 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2h5x h VAL 172 Cb 0.01 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 2h5x h VAL 172 CO 0.00 0.01 0.49 -0.07 0.02 0.00 0.00 177.57 178.02 2h5x h LEU 173 N -0.91 0.83 -0.08 2.57 3.38 -0.94 0.15 115.31 120.32 2h5x h LEU 173 Ca -0.09 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2h5x h LEU 173 Cb 0.67 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2h5x h LEU 173 CO 0.14 0.59 -0.42 0.00 0.09 0.00 0.00 178.44 178.85 2h5x h ALA 174 N 1.54 0.16 0.00 1.53 0.00 -0.30 -2.54 119.26 119.66 2h5x h ALA 174 Ca 0.28 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2h5x h ALA 174 Cb -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2h5x h ALA 174 CO -0.07 0.29 -0.25 0.00 0.00 0.00 0.00 179.25 179.22 2h5x h ALA 175 N 0.45 1.56 -2.41 0.00 0.00 0.14 -3.39 119.26 115.62 2h5x h ALA 175 Ca -0.03 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.35 2h5x h ALA 175 Cb 1.07 -0.04 -0.35 0.00 0.00 0.00 0.00 17.79 18.47 2h5x h ALA 175 CO 0.09 0.31 -0.61 1.21 0.00 0.00 0.00 179.25 180.25 2h5x s ASN 176 N -6.94 1.31 -0.14 0.00 3.84 0.49 -5.06 114.94 108.45 2h5x s ASN 176 Ca -0.03 -0.25 -0.18 0.00 0.21 0.00 0.00 52.86 52.61 2h5x s ASN 176 Cb 0.15 0.47 -0.15 0.00 -0.55 0.00 0.00 41.25 41.17 2h5x s ASN 176 CO 0.70 -0.33 0.39 0.45 -2.79 0.00 0.00 177.10 175.52 2h5x h HIS 177 N 8.29 0.00 0.00 0.43 3.86 -1.65 -3.35 115.15 122.73 2h5x h HIS 177 Ca -0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2h5x h HIS 177 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2h5x h HIS 177 CO 0.15 0.68 0.19 -0.25 0.86 0.00 0.00 177.93 179.56 2h5x n ASP 178 N -4.64 0.00 -4.74 2.45 9.92 -1.26 -4.69 116.55 113.59 2h5x n ASP 178 Ca -0.09 0.05 -0.42 0.00 -0.53 0.00 0.00 54.79 53.80 2h5x n ASP 178 Cb 0.34 -0.05 -0.00 0.00 -0.64 0.00 0.00 41.12 40.77 2h5x n ASP 178 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2h5x n ALA 179 N -0.85 1.84 -1.93 2.24 0.00 -1.26 -5.03 120.51 115.53 2h5x n ALA 179 Ca 0.00 0.34 -0.26 0.00 0.00 0.00 0.00 53.44 53.52 2h5x n ALA 179 Cb 0.19 -2.34 0.07 0.00 0.00 0.00 0.00 19.45 17.37 2h5x n ALA 179 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2h5x s THR 180 N -1.12 2.26 0.20 0.00 -4.23 -1.26 -4.88 115.64 106.61 2h5x s THR 180 Ca 0.55 -0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 2h5x s THR 180 Cb -0.52 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.47 2h5x s THR 180 CO 0.63 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.45 2h5x h THR 181 N -0.64 1.26 0.00 3.99 1.03 -1.96 -1.75 112.91 114.85 2h5x h THR 181 Ca -0.44 -0.87 -0.00 0.00 -0.01 0.00 0.00 66.41 65.09 2h5x h THR 181 Cb 1.31 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2h5x h THR 181 CO 0.58 0.34 -0.00 0.77 -0.01 0.00 0.00 175.52 177.21 2h5x h SER 182 N 1.07 -0.00 -0.45 0.00 4.64 -1.97 -2.53 113.55 114.31 2h5x h SER 182 Ca 0.24 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 2h5x h SER 182 Cb 0.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2h5x h SER 182 CO -0.01 0.34 0.13 0.77 -0.87 0.00 0.00 176.83 177.20 2h5x h SER 183 N -0.35 0.71 -0.85 4.97 4.64 -1.94 -1.77 113.55 118.96 2h5x h SER 183 Ca -0.00 -0.12 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 2h5x h SER 183 Cb 0.35 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 2h5x h SER 183 CO 0.00 0.70 0.54 0.00 -0.87 0.00 0.00 176.83 177.20 2h5x h ALA 184 N 1.40 1.14 -0.25 5.18 0.00 -1.26 -1.04 119.26 124.42 2h5x h ALA 184 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2h5x h ALA 184 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2h5x h ALA 184 CO -0.00 0.36 0.02 1.25 0.00 0.00 0.00 179.25 180.87 2h5x h LEU 185 N 1.04 0.43 -0.64 0.00 6.46 -0.90 -1.44 115.31 120.25 2h5x h LEU 185 Ca 0.35 -0.29 0.08 0.00 -0.12 0.00 0.00 57.88 57.89 2h5x h LEU 185 Cb 0.05 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 39.80 2h5x h LEU 185 CO -0.13 0.61 0.32 0.03 -0.62 0.00 0.00 178.44 178.65 2h5x h ARG 186 N 0.23 0.55 0.61 1.25 3.08 -0.90 -1.47 114.38 117.72 2h5x h ARG 186 Ca 0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2h5x h ARG 186 Cb 0.38 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.32 2h5x h ARG 186 CO 0.01 0.36 -0.30 0.77 -1.07 0.00 0.00 179.97 179.75 2h5x h SER 187 N 0.57 -0.70 -0.75 7.04 0.02 -1.00 -1.96 113.55 116.76 2h5x h SER 187 Ca 0.31 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.45 2h5x h SER 187 Cb 0.28 0.18 -0.11 0.00 0.14 0.00 0.00 62.40 62.89 2h5x h SER 187 CO -0.23 -0.50 0.17 0.00 -1.14 0.00 0.00 176.83 175.13 2h5x h ALA 188 N -0.42 0.97 -0.74 3.77 0.00 -0.93 -0.08 119.26 121.83 2h5x h ALA 188 Ca -0.08 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2h5x h ALA 188 Cb 0.63 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 2h5x h ALA 188 CO 0.13 -0.35 0.48 -0.07 0.00 0.00 0.00 179.25 179.44 2h5x h LEU 189 N 0.26 0.81 -1.39 0.00 3.38 -1.05 0.17 115.31 117.48 2h5x h LEU 189 Ca 0.43 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2h5x h LEU 189 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2h5x h LEU 189 CO -0.53 0.57 0.13 -1.28 0.09 0.00 0.00 178.44 177.43 2h5x h SER 190 N 0.95 0.50 0.67 -0.43 0.87 -0.25 1.69 113.55 117.54 2h5x h SER 190 Ca 0.28 -0.05 -0.22 0.00 -1.23 0.00 0.00 61.79 60.56 2h5x h SER 190 Cb -0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2h5x h SER 190 CO -0.08 0.47 -1.01 -0.07 -0.53 0.00 0.00 176.83 175.61 2h5x h LEU 191 N 0.55 0.27 0.00 2.23 3.38 -0.60 -3.18 115.31 117.95 2h5x h LEU 191 Ca 0.13 -0.25 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 2h5x h LEU 191 Cb 0.14 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2h5x h LEU 191 CO -0.01 1.12 -0.99 -0.07 0.09 0.00 0.00 178.44 178.57 2h5x h LEU 192 N 0.08 0.00 0.00 1.67 3.38 0.17 -2.56 115.31 118.05 2h5x h LEU 192 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2h5x h LEU 192 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2h5x h LEU 192 CO 0.15 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.26 2h5x n GLY 193 N 1.35 -0.73 2.93 0.83 0.00 0.57 -4.91 105.19 105.23 2h5x n GLY 193 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 2h5x n GLY 193 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h5x n LYS 194 N -1.26 -2.24 0.00 1.61 5.02 -0.96 -5.05 118.16 115.28 2h5x n LYS 194 Ca 0.07 1.93 0.01 0.00 -2.02 0.00 0.00 58.31 58.30 2h5x n LYS 194 Cb 0.11 -2.57 0.04 0.00 -0.02 0.00 0.00 35.03 32.59 2h5x n LYS 194 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88