#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vha n LEU 1 N 0.00 0.48 -3.94 2.46 4.77 -1.26 -4.72 117.00 114.79 1vha n LEU 1 Ca 0.00 -0.30 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 1vha n LEU 1 Cb 0.00 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 1vha n LEU 1 CO 0.00 0.12 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.11 1vha s ILE 2 N -2.84 0.88 -0.03 -0.08 1.09 -1.26 -1.15 121.20 117.81 1vha s ILE 2 Ca 0.01 -0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.33 1vha s ILE 2 Cb 0.12 -0.87 -0.01 0.00 -1.06 0.00 0.00 42.46 40.64 1vha s ILE 2 CO 0.70 0.31 -0.20 -0.13 -0.10 0.00 0.00 174.94 175.53 1vha s ARG 3 N 1.07 1.80 -0.07 2.79 1.81 0.12 -4.95 118.95 121.52 1vha s ARG 3 Ca -0.08 -0.70 -0.00 0.00 -1.72 0.00 0.00 55.73 53.23 1vha s ARG 3 Cb -0.14 -1.64 -0.03 0.00 -0.45 0.00 0.00 34.95 32.69 1vha s ARG 3 CO -0.01 0.35 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.43 1vha s ILE 4 N -0.23 3.95 0.03 1.52 2.07 -1.26 0.45 121.20 127.73 1vha s ILE 4 Ca 0.02 -0.41 -0.00 0.00 -1.41 0.00 0.00 60.65 58.85 1vha s ILE 4 Cb -0.10 -2.65 -0.03 0.00 0.13 0.00 0.00 42.46 39.82 1vha s ILE 4 CO 0.01 0.58 -0.03 -0.83 -1.91 0.00 0.00 174.94 172.76 1vha s GLY 5 N -0.90 0.33 -0.01 1.50 0.00 0.71 -4.03 107.32 104.92 1vha s GLY 5 Ca 0.13 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1vha s GLY 5 CO 0.02 -0.88 -0.06 -1.58 0.00 0.00 0.00 173.10 170.60 1vha s HIS 6 N -2.24 0.54 0.04 1.90 5.04 -1.25 -0.66 115.29 118.65 1vha s HIS 6 Ca -0.08 -0.10 0.03 0.00 -1.54 0.00 0.00 55.06 53.36 1vha s HIS 6 Cb -0.04 -0.36 -0.02 0.00 0.04 0.00 0.00 32.58 32.20 1vha s HIS 6 CO -0.04 -0.02 -0.09 0.20 -2.34 0.00 0.00 174.74 172.46 1vha s GLY 7 N -0.07 0.53 -0.05 1.59 0.00 0.32 -3.79 107.32 105.85 1vha s GLY 7 Ca 0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 1vha s GLY 7 CO -0.00 -0.72 0.11 -0.12 0.00 0.00 0.00 173.10 172.37 1vha s PHE 8 N -1.09 -0.12 0.08 1.90 5.36 -1.26 -1.19 117.98 121.66 1vha s PHE 8 Ca -0.06 0.34 -0.14 0.00 -0.96 0.00 0.00 56.93 56.11 1vha s PHE 8 Cb -0.08 -0.02 0.02 0.00 -0.34 0.00 0.00 43.02 42.59 1vha s PHE 8 CO 0.01 -0.10 0.32 0.34 -1.46 0.00 0.00 175.22 174.33 1vha s ASP 9 N 0.51 -0.12 0.02 6.13 2.15 -0.89 -4.80 116.67 119.68 1vha s ASP 9 Ca -0.04 -0.32 0.02 0.00 0.43 0.00 0.00 52.55 52.64 1vha s ASP 9 Cb -0.05 0.39 -0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1vha s ASP 9 CO -0.02 -0.71 -0.06 -0.69 -0.17 0.00 0.00 175.17 173.51 1vha s VAL 10 N -3.21 0.43 -0.21 1.11 1.01 -1.26 -1.98 120.40 116.29 1vha s VAL 10 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1vha s VAL 10 Cb 0.01 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 35.99 1vha s VAL 10 CO -0.08 -0.19 -0.06 -2.28 0.00 0.00 0.00 175.10 172.50 1vha s HIS 11 N -0.84 2.14 -0.03 5.22 2.46 -0.36 -4.99 115.29 118.90 1vha s HIS 11 Ca -0.05 -1.49 -0.23 0.00 0.47 0.00 0.00 55.06 53.75 1vha s HIS 11 Cb -0.06 -1.49 -0.04 0.00 -0.13 0.00 0.00 32.58 30.85 1vha s HIS 11 CO 0.00 -0.72 0.70 0.00 -2.47 0.00 0.00 174.74 172.25 1vha s ALA 12 N 1.48 3.36 0.47 1.58 0.00 -1.26 -1.76 121.76 125.64 1vha s ALA 12 Ca -0.03 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.86 1vha s ALA 12 Cb -0.17 -2.93 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 1vha s ALA 12 CO -0.07 -0.02 1.18 -0.06 0.00 0.00 0.00 175.76 176.79 1vha s PHE 13 N 0.45 2.81 0.00 0.00 0.08 -0.86 -4.68 117.98 115.78 1vha s PHE 13 Ca 0.37 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.94 1vha s PHE 13 Cb -0.18 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1vha s PHE 13 CO 0.19 -1.64 0.00 0.41 -0.10 0.00 0.00 175.22 174.08 1vha n GLY 14 N 0.46 5.01 3.60 4.36 0.00 -1.26 -4.24 105.19 113.11 1vha n GLY 14 Ca 0.08 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 1vha n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vha s GLU 15 N -0.89 0.40 0.07 1.61 1.03 -0.47 -4.97 118.70 115.48 1vha s GLU 15 Ca 0.00 0.07 0.08 0.00 0.03 0.00 0.00 54.97 55.15 1vha s GLU 15 Cb 0.00 0.19 -0.03 0.00 -0.80 0.00 0.00 34.13 33.49 1vha s GLU 15 CO 0.00 -0.13 -0.21 -0.51 -1.33 0.00 0.00 175.26 173.08 1vha s ASP 16 N -1.17 2.49 0.02 0.83 1.01 -1.26 0.15 116.67 118.75 1vha s ASP 16 Ca 0.03 -0.60 -0.03 0.00 0.71 0.00 0.00 52.55 52.66 1vha s ASP 16 Cb -0.01 -0.17 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 1vha s ASP 16 CO -0.02 0.11 0.03 0.00 0.21 0.00 0.00 175.17 175.49 1vha s ARG 17 N -1.52 0.44 0.14 8.23 1.70 -0.83 -4.97 118.95 122.14 1vha s ARG 17 Ca 0.07 -0.68 -0.16 0.00 -0.47 0.00 0.00 55.73 54.49 1vha s ARG 17 Cb -0.09 0.16 -0.07 0.00 -0.57 0.00 0.00 34.95 34.38 1vha s ARG 17 CO 0.03 -0.09 0.58 -1.25 -1.08 0.00 0.00 175.30 173.48 1vha s PRO 18 N -2.00 4.06 0.02 3.89 0.04 -1.26 -1.12 135.00 138.62 1vha s PRO 18 Ca -0.11 0.59 0.03 0.00 0.04 0.00 0.00 61.00 61.55 1vha s PRO 18 Cb -0.05 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 1vha s PRO 18 CO -0.02 0.50 -0.09 -0.51 0.04 0.00 0.00 177.00 176.91 1vha s LEU 19 N -1.79 2.13 -0.28 -3.56 1.43 0.13 -4.93 118.68 111.81 1vha s LEU 19 Ca 0.37 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1vha s LEU 19 Cb -0.16 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 1vha s LEU 19 CO 0.19 -0.02 0.15 -0.63 0.23 0.00 0.00 176.35 176.27 1vha s ILE 20 N -0.72 4.87 -0.05 -0.59 1.01 -1.26 0.05 121.20 124.50 1vha s ILE 20 Ca -0.02 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1vha s ILE 20 Cb -0.06 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1vha s ILE 20 CO 0.00 0.23 -0.03 -0.63 0.00 0.00 0.00 174.94 174.51 1vha s ILE 21 N 1.69 0.47 -1.57 2.92 -1.09 0.16 -4.80 121.20 118.97 1vha s ILE 21 Ca 0.06 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 1vha s ILE 21 Cb -0.16 -0.52 0.01 0.00 -1.58 0.00 0.00 42.46 40.21 1vha s ILE 21 CO 0.08 0.22 0.33 0.61 -1.23 0.00 0.00 174.94 174.94 1vha n GLY 22 N 4.22 -0.51 2.47 6.18 0.00 -1.26 -1.25 105.19 115.04 1vha n GLY 22 Ca -0.22 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1vha n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vha n GLY 23 N -1.25 0.33 3.29 -0.02 0.00 -1.26 -5.00 105.19 101.28 1vha n GLY 23 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1vha n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vha s VAL 24 N -1.72 1.91 -0.00 1.61 1.01 -0.38 -5.11 120.40 117.71 1vha s VAL 24 Ca 0.00 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 1vha s VAL 24 Cb 0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1vha s VAL 24 CO 0.00 0.46 0.75 -0.70 0.00 0.00 0.00 175.10 175.61 1vha s GLU 25 N -0.78 4.47 0.03 2.72 2.12 -1.26 -0.67 118.70 125.33 1vha s GLU 25 Ca 0.10 1.01 0.03 0.00 0.36 0.00 0.00 54.97 56.47 1vha s GLU 25 Cb -0.09 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1vha s GLU 25 CO 0.00 0.18 -0.08 0.14 -0.54 0.00 0.00 175.26 174.95 1vha s VAL 26 N 0.35 0.61 0.41 3.70 -7.23 0.11 -4.95 120.40 113.40 1vha s VAL 26 Ca 0.39 -0.76 -0.22 0.00 -1.81 0.00 0.00 61.98 59.58 1vha s VAL 26 Cb -0.19 -0.60 -0.11 0.00 0.56 0.00 0.00 36.38 36.04 1vha s VAL 26 CO 0.21 -0.13 0.94 -2.16 -0.31 0.00 0.00 175.10 173.65 1vha s PRO 27 N -0.98 4.28 -0.14 4.82 0.04 -1.26 -0.69 135.00 141.06 1vha s PRO 27 Ca -0.03 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 1vha s PRO 27 Cb -0.07 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 32.21 1vha s PRO 27 CO 0.00 0.03 -0.03 -0.47 0.04 0.00 0.00 177.00 176.57 1vha s TYR 28 N -2.07 1.38 -0.04 0.56 6.14 -0.27 -4.89 117.35 118.15 1vha s TYR 28 Ca 0.60 -0.83 -0.19 0.00 0.64 0.00 0.00 57.07 57.29 1vha s TYR 28 Cb -0.11 -1.17 -0.05 0.00 0.42 0.00 0.00 41.96 41.06 1vha s TYR 28 CO 0.15 -0.55 0.52 -1.58 0.64 0.00 0.00 175.55 174.74 1vha s HIS 29 N 1.74 3.63 -0.07 4.97 5.65 -1.26 -1.97 115.29 127.98 1vha s HIS 29 Ca 0.02 1.05 0.02 0.00 0.25 0.00 0.00 55.06 56.41 1vha s HIS 29 Cb -0.15 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.70 1vha s HIS 29 CO -0.07 0.34 -0.13 0.99 -0.65 0.00 0.00 174.74 175.21 1vha s THR 30 N -0.05 3.14 0.00 0.89 2.01 0.12 -4.97 115.64 116.77 1vha s THR 30 Ca 0.28 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1vha s THR 30 Cb -0.17 -2.25 0.00 0.00 0.01 0.00 0.00 72.50 70.09 1vha s THR 30 CO 0.14 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.26 1vha n GLY 31 N 2.59 -2.51 3.67 4.40 0.00 -1.26 -1.37 105.19 110.71 1vha n GLY 31 Ca -0.17 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.57 1vha n GLY 31 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vha n PHE 32 N -0.15 2.13 -2.34 1.61 -0.00 -1.26 -4.88 117.46 112.57 1vha n PHE 32 Ca 0.00 0.51 -0.43 0.00 -0.00 0.00 0.00 57.45 57.53 1vha n PHE 32 Cb 0.00 -2.42 -0.02 0.00 -0.00 0.00 0.00 39.48 37.03 1vha n PHE 32 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1vha s ILE 33 N -0.56 4.13 0.38 -2.13 -1.09 -1.26 -4.67 121.20 116.00 1vha s ILE 33 Ca 0.62 1.38 -0.26 0.00 -2.23 0.00 0.00 60.65 60.16 1vha s ILE 33 Cb -0.62 -3.89 -0.11 0.00 -1.58 0.00 0.00 42.46 36.25 1vha s ILE 33 CO 0.56 -0.11 1.14 0.00 -1.23 0.00 0.00 174.94 175.30 1vha n ALA 34 N 6.52 0.67 -1.43 9.38 0.00 -1.26 -4.88 120.51 129.51 1vha n ALA 34 Ca 0.14 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1vha n ALA 34 Cb 0.45 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1vha n ALA 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1vha n HIS 35 N -0.09 0.00 -3.70 0.00 1.44 -1.26 -5.12 115.22 106.49 1vha n HIS 35 Ca 0.07 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.74 1vha n HIS 35 Cb 0.37 0.04 0.02 0.00 0.12 0.00 0.00 29.99 30.55 1vha n HIS 35 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1vha n SER 36 N 0.00 -1.63 -0.01 4.39 3.41 -1.26 -4.82 113.62 113.69 1vha n SER 36 Ca 0.00 -2.02 0.16 0.00 -0.26 0.00 0.00 58.87 56.74 1vha n SER 36 Cb 0.37 2.69 0.87 0.00 -0.26 0.00 0.00 64.21 67.88 1vha n SER 36 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vha n ASP 37 N -1.30 0.05 -0.38 4.04 5.68 -0.96 -4.90 116.55 118.78 1vha n ASP 37 Ca -0.05 -0.71 -0.05 0.00 -0.50 0.00 0.00 54.79 53.48 1vha n ASP 37 Cb 0.47 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.33 1vha n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vha n GLY 38 N 1.11 0.76 3.57 6.12 0.00 -1.26 -4.96 105.19 110.53 1vha n GLY 38 Ca 0.20 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1vha n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vha s ASP 39 N -2.90 6.37 0.38 1.61 3.68 -1.26 -4.81 116.67 119.74 1vha s ASP 39 Ca 0.00 -1.77 0.06 0.00 2.13 0.00 0.00 52.55 52.97 1vha s ASP 39 Cb 0.00 -2.57 0.78 0.00 -1.45 0.00 0.00 42.92 39.67 1vha s ASP 39 CO 0.00 -1.63 1.99 -0.37 0.13 0.00 0.00 175.17 175.29 1vha h VAL 40 N 6.32 1.05 -0.47 1.11 -1.51 -1.93 -1.30 116.25 119.52 1vha h VAL 40 Ca 0.29 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 65.50 1vha h VAL 40 Cb 0.95 0.30 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1vha h VAL 40 CO 1.40 0.13 0.25 0.00 -1.23 0.00 0.00 177.57 178.12 1vha h ALA 41 N 1.64 0.60 0.02 5.19 0.00 -1.91 -1.88 119.26 122.92 1vha h ALA 41 Ca 0.26 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1vha h ALA 41 Cb 0.15 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vha h ALA 41 CO -0.07 0.14 -0.99 -0.07 0.00 0.00 0.00 179.25 178.26 1vha h LEU 42 N 0.62 0.58 0.12 0.00 3.38 -1.84 -2.58 115.31 115.59 1vha h LEU 42 Ca 0.16 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1vha h LEU 42 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1vha h LEU 42 CO -0.02 1.29 -0.15 0.45 0.09 0.00 0.00 178.44 180.09 1vha h HIS 43 N 0.24 -0.40 -0.13 1.13 3.86 -1.17 0.22 115.15 118.90 1vha h HIS 43 Ca -0.09 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1vha h HIS 43 Cb 1.64 0.16 -0.01 0.00 1.06 0.00 0.00 27.41 30.25 1vha h HIS 43 CO 0.07 -0.23 0.04 0.00 0.86 0.00 0.00 177.93 178.67 1vha h ALA 44 N 0.53 0.14 -0.60 2.45 0.00 -1.40 0.52 119.26 120.90 1vha h ALA 44 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1vha h ALA 44 Cb 0.32 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1vha h ALA 44 CO -0.07 -0.41 0.33 1.25 0.00 0.00 0.00 179.25 180.35 1vha h LEU 45 N 0.11 0.49 -0.40 0.00 5.85 -1.28 0.92 115.31 120.98 1vha h LEU 45 Ca 0.06 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1vha h LEU 45 Cb 0.03 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1vha h LEU 45 CO -0.06 0.32 0.26 0.74 -0.34 0.00 0.00 178.44 179.36 1vha h THR 46 N 0.62 1.09 -0.81 1.05 2.02 0.00 -0.80 112.91 116.08 1vha h THR 46 Ca 0.26 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1vha h THR 46 Cb 0.15 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1vha h THR 46 CO -0.16 0.10 0.43 0.44 0.37 0.00 0.00 175.52 176.70 1vha h ASP 47 N 0.52 1.03 -0.26 4.18 3.32 -0.07 -0.59 116.42 124.56 1vha h ASP 47 Ca 0.15 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1vha h ASP 47 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1vha h ASP 47 CO -0.04 0.84 0.14 0.00 -1.72 0.00 0.00 179.24 178.47 1vha h ALA 48 N 1.23 0.33 -0.36 3.45 0.00 -0.27 0.37 119.26 124.01 1vha h ALA 48 Ca 0.29 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1vha h ALA 48 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1vha h ALA 48 CO -0.04 -0.14 0.11 0.82 0.00 0.00 0.00 179.25 180.00 1vha h ILE 49 N 0.31 1.21 -0.43 0.00 2.04 -0.97 0.40 117.51 120.07 1vha h ILE 49 Ca 0.09 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 1vha h ILE 49 Cb 0.06 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1vha h ILE 49 CO -0.02 0.24 -0.15 -0.07 0.00 0.00 0.00 178.15 178.16 1vha h LEU 50 N 0.43 0.79 -0.67 1.44 3.38 -0.97 -3.07 115.31 116.65 1vha h LEU 50 Ca 0.12 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1vha h LEU 50 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1vha h LEU 50 CO -0.00 0.94 -0.35 1.23 0.09 0.00 0.00 178.44 180.35 1vha h GLY 51 N 0.97 0.70 0.83 0.83 0.00 -0.00 0.22 103.07 106.61 1vha h GLY 51 Ca 0.11 -0.66 0.07 0.00 0.00 0.00 0.00 47.33 46.85 1vha h GLY 51 CO 0.04 0.60 0.59 0.00 0.00 0.00 0.00 176.54 177.78 1vha h ALA 52 N 1.07 1.52 -0.62 3.60 0.00 -0.82 -1.43 119.26 122.58 1vha h ALA 52 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vha h ALA 52 Cb 0.86 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1vha h ALA 52 CO 0.07 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1vha n ALA 53 N -2.39 3.12 -3.72 0.00 0.00 -1.17 -4.43 120.51 111.92 1vha n ALA 53 Ca 0.14 -1.52 -0.23 0.00 0.00 0.00 0.00 53.44 51.82 1vha n ALA 53 Cb 0.21 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.66 1vha n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vha n ALA 54 N 1.06 -1.81 -1.21 0.00 0.00 -0.54 -4.89 120.51 113.11 1vha n ALA 54 Ca 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1vha n ALA 54 Cb 0.88 -2.76 0.24 0.00 0.00 0.00 0.00 19.45 17.80 1vha n ALA 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vha n LEU 55 N -4.40 5.23 0.00 0.00 4.77 0.76 -5.02 117.00 118.34 1vha n LEU 55 Ca -0.21 -3.46 0.00 0.00 -0.03 0.00 0.00 56.01 52.32 1vha n LEU 55 Cb 0.64 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1vha n LEU 55 CO 0.69 0.99 0.00 0.61 -1.33 0.00 0.00 177.39 178.35 1vha n GLY 56 N -0.75 1.78 3.76 -0.72 0.00 -1.26 -4.88 105.19 103.12 1vha n GLY 56 Ca 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1vha n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1vha s ASP 57 N -4.00 -0.11 0.47 1.61 1.47 -1.26 -4.30 116.67 110.55 1vha s ASP 57 Ca 0.00 -0.41 0.32 0.00 1.18 0.00 0.00 52.55 53.64 1vha s ASP 57 Cb 0.00 0.42 1.42 0.00 -0.34 0.00 0.00 42.92 44.42 1vha s ASP 57 CO 0.00 -0.79 1.70 -0.29 0.68 0.00 0.00 175.17 176.46 1vha h ILE 58 N 2.00 0.28 0.00 2.11 2.10 -1.90 0.14 117.51 122.24 1vha h ILE 58 Ca -0.26 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1vha h ILE 58 Cb 1.22 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1vha h ILE 58 CO 0.28 0.02 0.00 0.61 -1.08 0.00 0.00 178.15 177.99 1vha n GLY 59 N -1.62 -1.04 0.07 8.18 0.00 -1.26 -2.55 105.19 106.97 1vha n GLY 59 Ca 0.32 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.48 1vha n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vha n LYS 60 N -1.91 1.08 -0.21 1.61 5.02 0.48 -4.56 118.16 119.68 1vha n LYS 60 Ca 0.02 -0.15 -0.01 0.00 -2.02 0.00 0.00 58.31 56.14 1vha n LYS 60 Cb 0.16 -1.36 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 1vha n LYS 60 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1vha h LEU 61 N 0.36 -0.70 -7.26 -0.35 3.38 -1.56 -3.12 115.31 106.06 1vha h LEU 61 Ca 0.00 0.20 -0.68 0.00 0.09 0.00 0.00 57.88 57.49 1vha h LEU 61 Cb 0.47 0.43 -0.37 0.00 0.09 0.00 0.00 40.66 41.27 1vha h LEU 61 CO 0.00 -0.23 -0.25 -0.36 0.09 0.00 0.00 178.44 177.69 1vha s PHE 62 N -6.19 3.79 0.00 1.13 0.08 -1.26 -5.09 117.98 110.43 1vha s PHE 62 Ca -0.14 -3.12 0.00 0.00 0.12 0.00 0.00 56.93 53.79 1vha s PHE 62 Cb 0.19 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1vha s PHE 62 CO 0.73 -0.68 0.62 -0.35 -0.10 0.00 0.00 175.22 175.44 1vha n PRO 63 N 2.26 0.53 0.00 0.24 -0.04 -1.18 -5.12 135.00 131.69 1vha n PRO 63 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1vha n PRO 63 Cb 0.36 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1vha n PRO 63 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vha n ASN 71 N 0.91 0.00 -0.07 3.54 4.13 -1.26 -5.18 115.26 117.33 1vha n ASN 71 Ca 0.00 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.04 1vha n ASN 71 Cb 0.26 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.38 1vha n ASN 71 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vha n ALA 72 N 0.00 0.86 -2.45 5.41 0.00 -1.26 -4.80 120.51 118.27 1vha n ALA 72 Ca 0.00 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.44 1vha n ALA 72 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 1vha n ALA 72 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vha s ASP 73 N -6.95 7.00 0.35 0.00 2.15 -1.26 -2.28 116.67 115.68 1vha s ASP 73 Ca -0.28 1.73 0.15 0.00 0.43 0.00 0.00 52.55 54.58 1vha s ASP 73 Cb 0.07 -2.55 0.64 0.00 -0.30 0.00 0.00 42.92 40.79 1vha s ASP 73 CO 0.64 -0.68 1.75 0.28 -0.17 0.00 0.00 175.17 176.98 1vha h SER 74 N 7.87 0.00 0.21 -0.34 0.02 -1.95 -2.85 113.55 116.50 1vha h SER 74 Ca -0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.61 1vha h SER 74 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1vha h SER 74 CO 0.93 0.43 -0.21 0.03 -1.14 0.00 0.00 176.83 176.87 1vha h ARG 75 N 0.00 0.02 -0.17 3.45 3.08 -1.97 0.17 114.38 118.96 1vha h ARG 75 Ca -0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1vha h ARG 75 Cb 0.85 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1vha h ARG 75 CO 0.06 0.23 -0.14 0.78 -1.07 0.00 0.00 179.97 179.83 1vha h GLY 76 N 0.67 0.43 1.01 0.04 0.00 -1.91 0.17 103.07 103.47 1vha h GLY 76 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1vha h GLY 76 CO 0.03 0.38 0.44 1.41 0.00 0.00 0.00 176.54 178.79 1vha h LEU 77 N 0.05 0.93 -0.23 3.11 3.38 -1.35 0.22 115.31 121.42 1vha h LEU 77 Ca 0.03 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1vha h LEU 77 Cb 0.65 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1vha h LEU 77 CO 0.04 0.74 0.13 0.25 0.09 0.00 0.00 178.44 179.69 1vha h LEU 78 N 1.05 0.20 -0.61 1.67 5.85 -0.55 -0.72 115.31 122.19 1vha h LEU 78 Ca 0.27 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1vha h LEU 78 Cb 0.00 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1vha h LEU 78 CO -0.05 0.15 0.18 0.03 -0.34 0.00 0.00 178.44 178.41 1vha h ARG 79 N 0.26 0.96 -0.52 1.25 3.08 -0.35 -0.91 114.38 118.15 1vha h ARG 79 Ca 0.09 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1vha h ARG 79 Cb 0.01 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1vha h ARG 79 CO -0.05 0.86 0.32 1.49 -1.07 0.00 0.00 179.97 181.52 1vha h GLU 80 N 0.88 0.63 -0.71 0.04 4.57 -0.31 -0.09 114.58 119.59 1vha h GLU 80 Ca 0.20 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1vha h GLU 80 Cb 0.31 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1vha h GLU 80 CO -0.00 0.42 0.43 0.00 -1.18 0.00 0.00 179.01 178.68 1vha h ALA 81 N 1.22 0.91 -0.38 2.92 0.00 -0.78 -1.12 119.26 122.02 1vha h ALA 81 Ca 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1vha h ALA 81 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1vha h ALA 81 CO -0.07 0.38 0.07 0.35 0.00 0.00 0.00 179.25 179.97 1vha h PHE 82 N 0.97 0.66 -0.38 0.00 3.04 -0.65 -1.19 116.94 119.39 1vha h PHE 82 Ca 0.26 -0.09 0.05 0.00 3.98 0.00 0.00 57.97 62.17 1vha h PHE 82 Cb -0.03 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.25 1vha h PHE 82 CO -0.01 0.66 0.12 0.00 -2.02 0.00 0.00 178.31 177.06 1vha h ARG 83 N 0.47 0.26 -0.67 1.11 3.08 -0.63 0.48 114.38 118.48 1vha h ARG 83 Ca 0.12 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1vha h ARG 83 Cb 0.35 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1vha h ARG 83 CO 0.01 0.17 0.44 1.96 -1.07 0.00 0.00 179.97 181.48 1vha h GLN 84 N 0.27 0.85 -0.42 0.04 4.20 -1.05 0.36 115.11 119.36 1vha h GLN 84 Ca 0.18 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1vha h GLN 84 Cb 0.17 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1vha h GLN 84 CO -0.20 0.57 -0.20 0.28 -0.67 0.00 0.00 178.83 178.61 1vha h VAL 85 N 0.88 1.28 -0.15 -0.54 2.07 0.07 -2.96 116.25 116.90 1vha h VAL 85 Ca 0.25 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1vha h VAL 85 Cb -0.06 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1vha h VAL 85 CO -0.06 0.45 0.08 -0.61 0.02 0.00 0.00 177.57 177.46 1vha h GLN 86 N 0.71 0.20 -0.08 1.57 4.15 0.13 -1.86 115.11 119.93 1vha h GLN 86 Ca 0.10 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1vha h GLN 86 Cb 0.76 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1vha h GLN 86 CO 0.06 0.21 0.20 0.93 -1.93 0.00 0.00 178.83 178.31 1vha h GLU 87 N 0.14 0.00 -0.37 1.69 4.39 -0.25 0.67 114.58 120.85 1vha h GLU 87 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1vha h GLU 87 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1vha h GLU 87 CO -0.01 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.47 1vha n LYS 88 N -3.28 2.16 -1.34 2.33 5.02 -0.84 -4.93 118.16 117.28 1vha n LYS 88 Ca -0.01 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.52 1vha n LYS 88 Cb 0.29 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1vha n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vha n GLY 89 N 1.33 0.66 3.71 0.72 0.00 0.23 -5.00 105.19 106.84 1vha n GLY 89 Ca 0.18 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1vha n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vha s TYR 90 N -2.00 2.90 0.05 1.61 1.51 -0.76 -0.32 117.35 120.34 1vha s TYR 90 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1vha s TYR 90 Cb 0.00 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1vha s TYR 90 CO 0.00 0.55 -0.05 0.21 -1.11 0.00 0.00 175.55 175.15 1vha s LYS 91 N -3.41 0.59 -0.13 -0.62 2.20 0.10 -3.99 119.74 114.48 1vha s LYS 91 Ca 0.30 -1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 54.58 1vha s LYS 91 Cb -0.08 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1vha s LYS 91 CO 0.21 -0.05 1.36 0.42 -0.36 0.00 0.00 175.35 176.93 1vha s ILE 92 N -2.92 4.10 0.00 5.43 1.09 -1.26 0.34 121.20 127.99 1vha s ILE 92 Ca 0.00 1.34 0.00 0.00 -1.10 0.00 0.00 60.65 60.89 1vha s ILE 92 Cb 0.01 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1vha s ILE 92 CO -0.05 -0.11 0.09 0.61 -0.10 0.00 0.00 174.94 175.38 1vha n GLY 93 N 3.73 -0.54 3.38 6.18 0.00 0.86 -4.80 105.19 113.99 1vha n GLY 93 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1vha n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vha s ASN 94 N -2.71 -0.43 -0.02 1.61 4.22 -1.19 -4.90 114.94 111.53 1vha s ASN 94 Ca 0.00 -0.03 0.03 0.00 -2.14 0.00 0.00 52.86 50.72 1vha s ASN 94 Cb 0.00 0.53 -0.00 0.00 1.28 0.00 0.00 41.25 43.05 1vha s ASN 94 CO 0.00 -0.85 -0.10 -0.69 -2.04 0.00 0.00 177.10 173.42 1vha s VAL 95 N -3.32 0.84 -0.07 3.54 1.01 0.51 -1.91 120.40 121.00 1vha s VAL 95 Ca -0.01 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1vha s VAL 95 Cb 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1vha s VAL 95 CO -0.09 0.25 -0.04 -0.62 0.00 0.00 0.00 175.10 174.60 1vha s ASP 96 N -0.06 1.53 -0.03 3.32 3.68 -0.99 -0.88 116.67 123.24 1vha s ASP 96 Ca 0.01 -0.16 0.06 0.00 2.13 0.00 0.00 52.55 54.60 1vha s ASP 96 Cb -0.06 -0.55 -0.01 0.00 -1.45 0.00 0.00 42.92 40.84 1vha s ASP 96 CO 0.00 -0.12 -0.22 -0.63 0.13 0.00 0.00 175.17 174.33 1vha s ILE 97 N 1.50 1.76 -0.23 4.11 1.09 -0.21 -1.75 121.20 127.48 1vha s ILE 97 Ca -0.01 -0.94 0.01 0.00 -1.10 0.00 0.00 60.65 58.61 1vha s ILE 97 Cb -0.13 -1.47 0.06 0.00 -1.06 0.00 0.00 42.46 39.85 1vha s ILE 97 CO -0.04 0.50 -0.08 -0.89 -0.10 0.00 0.00 174.94 174.33 1vha s THR 98 N -0.40 1.72 -0.13 2.92 2.01 0.57 -0.05 115.64 122.28 1vha s THR 98 Ca 0.05 -1.29 -0.21 0.00 0.31 0.00 0.00 61.69 60.56 1vha s THR 98 Cb -0.10 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1vha s THR 98 CO 0.00 -0.03 0.61 -0.63 -0.69 0.00 0.00 174.62 173.89 1vha s ILE 99 N 1.32 5.07 -0.36 1.82 1.01 0.42 -0.38 121.20 130.10 1vha s ILE 99 Ca -0.06 1.21 -0.05 0.00 0.00 0.00 0.00 60.65 61.75 1vha s ILE 99 Cb -0.19 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.40 1vha s ILE 99 CO -0.06 0.21 0.13 -0.63 0.00 0.00 0.00 174.94 174.59 1vha s ILE 100 N 1.20 3.62 -0.17 2.92 1.01 0.21 -1.03 121.20 128.96 1vha s ILE 100 Ca 0.31 -1.40 -0.26 0.00 0.00 0.00 0.00 60.65 59.30 1vha s ILE 100 Cb -0.16 -3.16 0.07 0.00 0.01 0.00 0.00 42.46 39.21 1vha s ILE 100 CO 0.13 -0.32 0.66 0.00 0.00 0.00 0.00 174.94 175.41 1vha s ALA 101 N 1.33 -1.67 -1.48 9.38 0.00 -0.84 -0.68 121.76 127.80 1vha s ALA 101 Ca 0.00 1.62 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 1vha s ALA 101 Cb -0.21 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1vha s ALA 101 CO 0.01 -0.34 2.59 0.94 0.00 0.00 0.00 175.76 178.96 1vha n GLN 102 N 1.98 3.87 -4.15 0.00 -0.06 -1.25 -4.36 117.38 113.40 1vha n GLN 102 Ca -0.16 -2.76 -0.16 0.00 -2.00 0.00 0.00 57.00 51.91 1vha n GLN 102 Cb 0.56 -2.82 -0.11 0.00 -4.06 0.00 0.00 30.24 23.80 1vha n GLN 102 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1vha s ALA 103 N 1.11 1.05 0.00 1.69 0.00 -1.26 -5.00 121.76 119.35 1vha s ALA 103 Ca 0.59 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1vha s ALA 103 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1vha s ALA 103 CO -0.07 0.07 0.00 -0.35 0.00 0.00 0.00 175.76 175.41 1vha n PRO 104 N 1.07 0.00 -1.55 0.00 -0.04 -1.26 -4.99 135.00 128.22 1vha n PRO 104 Ca -0.20 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.11 1vha n PRO 104 Cb 0.55 -0.01 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 1vha n PRO 104 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1vha n LYS 105 N -0.90 0.53 0.00 0.54 -0.00 -1.26 -4.86 118.16 112.21 1vha n LYS 105 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 58.31 57.57 1vha n LYS 105 Cb 0.00 -3.44 0.00 0.00 -0.00 0.00 0.00 35.03 31.59 1vha n LYS 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1vha n ARG 107 N 8.52 0.00 0.28 -1.58 0.63 -1.26 -4.88 116.66 118.38 1vha n ARG 107 Ca 0.49 0.00 0.17 0.00 -0.92 0.00 0.00 57.85 57.58 1vha n ARG 107 Cb 0.41 -0.87 0.82 0.00 0.45 0.00 0.00 32.46 33.27 1vha n ARG 107 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1vha h PRO 108 N 0.00 0.00 -0.00 -0.14 0.11 -2.05 -2.73 132.00 127.19 1vha h PRO 108 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vha h PRO 108 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vha h PRO 108 CO 0.00 0.06 -0.67 0.72 -0.21 0.00 0.00 178.00 177.90 1vha n HIS 109 N -3.31 0.00 -0.16 0.65 8.25 -1.26 -4.52 115.22 114.87 1vha n HIS 109 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1vha n HIS 109 Cb 0.23 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1vha n HIS 109 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1vha h ILE 110 N 0.37 0.16 -0.33 1.59 1.08 -1.89 -0.49 117.51 118.01 1vha h ILE 110 Ca 0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1vha h ILE 110 Cb 0.53 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1vha h ILE 110 CO 0.00 0.00 0.22 0.44 -0.69 0.00 0.00 178.15 178.12 1vha h ASP 111 N -0.23 0.20 0.00 1.72 3.45 -1.80 -0.94 116.42 118.82 1vha h ASP 111 Ca 0.19 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 1vha h ASP 111 Cb 0.56 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1vha h ASP 111 CO -0.62 0.14 0.00 0.00 -1.57 0.00 0.00 179.24 177.19 1vha n ALA 112 N -2.54 1.94 0.00 3.45 0.00 -0.19 -2.06 120.51 121.11 1vha n ALA 112 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1vha n ALA 112 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1vha n ALA 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vha n ARG 114 N 0.62 0.00 0.18 0.00 1.74 -0.36 -2.57 116.66 116.27 1vha n ARG 114 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1vha n ARG 114 Cb 0.22 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.58 1vha n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vha h ALA 115 N 0.00 -0.43 -0.66 7.54 0.00 -1.69 0.32 119.26 124.34 1vha h ALA 115 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1vha h ALA 115 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1vha h ALA 115 CO 0.00 -0.75 0.37 0.87 0.00 0.00 0.00 179.25 179.74 1vha h LYS 116 N -0.43 0.66 -0.11 0.00 1.57 -1.77 0.18 116.57 116.67 1vha h LYS 116 Ca -0.03 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1vha h LYS 116 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1vha h LYS 116 CO 0.04 0.44 -0.19 0.82 -0.57 0.00 0.00 179.45 179.99 1vha h ILE 117 N 0.68 1.19 -0.35 1.86 2.04 -1.77 -0.83 117.51 120.35 1vha h ILE 117 Ca 0.29 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 1vha h ILE 117 Cb 0.17 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1vha h ILE 117 CO -0.18 0.27 -0.02 0.00 0.00 0.00 0.00 178.15 178.22 1vha h ALA 118 N 1.64 0.47 0.85 1.87 0.00 0.19 -0.99 119.26 123.29 1vha h ALA 118 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1vha h ALA 118 Cb 0.44 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1vha h ALA 118 CO 0.03 0.26 -0.42 0.93 0.00 0.00 0.00 179.25 180.05 1vha h GLU 119 N 0.43 -1.11 -0.61 0.00 5.08 -0.06 -0.75 114.58 117.55 1vha h GLU 119 Ca 0.10 0.08 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 1vha h GLU 119 Cb 0.49 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1vha h GLU 119 CO 0.02 -0.74 0.43 -0.44 -1.00 0.00 0.00 179.01 177.29 1vha h ASP 120 N -1.15 0.06 -0.02 1.42 3.32 -1.19 -0.83 116.42 118.03 1vha h ASP 120 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1vha h ASP 120 Cb 0.89 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1vha h ASP 120 CO 0.18 0.03 -0.01 0.18 -1.72 0.00 0.00 179.24 177.91 1vha n LEU 121 N -4.38 2.57 -3.67 1.55 4.77 -0.38 -4.64 117.00 112.82 1vha n LEU 121 Ca 0.12 -0.86 -0.26 0.00 -0.03 0.00 0.00 56.01 54.98 1vha n LEU 121 Cb 0.64 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.76 1vha n LEU 121 CO 0.36 0.43 -0.08 0.00 -1.33 0.00 0.00 177.39 176.77 1vha n GLN 122 N 1.01 -2.59 -4.12 3.23 6.02 -0.32 -4.79 117.38 115.82 1vha n GLN 122 Ca 0.15 0.54 -0.16 0.00 -0.01 0.00 0.00 57.00 57.53 1vha n GLN 122 Cb 0.53 -4.66 -0.05 0.00 1.02 0.00 0.00 30.24 27.08 1vha n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vha s ASP 124 N -3.27 7.25 0.00 0.00 2.15 -1.26 -4.59 116.67 116.95 1vha s ASP 124 Ca 0.32 1.69 0.03 0.00 0.43 0.00 0.00 52.55 55.02 1vha s ASP 124 Cb -0.00 -2.52 0.14 0.00 -0.30 0.00 0.00 42.92 40.23 1vha s ASP 124 CO 0.22 -0.03 0.96 0.00 -0.17 0.00 0.00 175.17 176.16 1vha n ILE 125 N 0.64 1.26 1.24 4.11 3.06 -1.26 -0.36 119.36 128.06 1vha n ILE 125 Ca 0.00 0.32 0.13 0.00 -2.50 0.00 0.00 62.75 60.70 1vha n ILE 125 Cb 0.50 -1.27 0.39 0.00 0.54 0.00 0.00 39.64 39.81 1vha n ILE 125 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1vha n GLU 126 N -1.35 0.76 -0.17 9.51 0.00 -1.26 -3.18 120.64 124.95 1vha n GLU 126 Ca 0.01 -0.43 0.11 0.00 0.00 0.00 0.00 57.16 56.85 1vha n GLU 126 Cb 0.03 -1.49 0.20 0.00 0.00 0.00 0.00 31.44 30.17 1vha n GLU 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1vha n GLN 127 N -0.74 2.40 -4.30 5.31 6.02 0.52 -4.88 117.38 121.71 1vha n GLN 127 Ca 0.12 -2.20 -0.29 0.00 -0.01 0.00 0.00 57.00 54.62 1vha n GLN 127 Cb 0.34 -1.47 -0.17 0.00 1.02 0.00 0.00 30.24 29.96 1vha n GLN 127 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1vha s VAL 128 N -1.41 1.49 -0.05 5.09 1.01 -1.19 -0.36 120.40 124.97 1vha s VAL 128 Ca 0.36 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1vha s VAL 128 Cb 0.21 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1vha s VAL 128 CO 0.29 0.44 -0.23 0.21 0.00 0.00 0.00 175.10 175.81 1vha s ASN 129 N 1.17 2.83 -0.07 3.32 2.47 -0.06 -4.97 114.94 119.64 1vha s ASN 129 Ca -0.03 -0.47 0.01 0.00 0.42 0.00 0.00 52.86 52.79 1vha s ASN 129 Cb -0.14 -0.77 0.02 0.00 -1.45 0.00 0.00 41.25 38.91 1vha s ASN 129 CO -0.05 0.22 -0.07 -0.69 -3.72 0.00 0.00 177.10 172.80 1vha s VAL 130 N -0.12 0.78 0.14 -5.21 1.01 -1.26 -1.04 120.40 114.70 1vha s VAL 130 Ca -0.03 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1vha s VAL 130 Cb -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1vha s VAL 130 CO 0.03 0.30 -0.18 -1.59 0.00 0.00 0.00 175.10 173.66 1vha s LYS 131 N 1.16 1.18 -0.01 2.72 -2.85 0.93 -4.97 119.74 117.90 1vha s LYS 131 Ca -0.06 -1.31 0.04 0.00 -1.00 0.00 0.00 55.97 53.64 1vha s LYS 131 Cb -0.14 -1.25 -0.01 0.00 -2.06 0.00 0.00 37.83 34.37 1vha s LYS 131 CO -0.01 0.26 -0.14 0.00 0.10 0.00 0.00 175.35 175.55 1vha s ALA 132 N -1.86 1.18 0.31 0.59 0.00 -1.26 -0.44 121.76 120.28 1vha s ALA 132 Ca 0.12 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.38 1vha s ALA 132 Cb -0.07 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1vha s ALA 132 CO 0.05 0.28 0.53 -0.08 0.00 0.00 0.00 175.76 176.54 1vha s THR 133 N -0.30 0.00 0.30 0.00 -1.32 -0.19 -4.94 115.64 109.19 1vha s THR 133 Ca 0.05 -1.42 0.04 0.00 -1.21 0.00 0.00 61.69 59.15 1vha s THR 133 Cb -0.06 -2.49 -0.06 0.00 -1.51 0.00 0.00 72.50 68.38 1vha s THR 133 CO -0.00 0.00 0.03 0.42 -2.21 0.00 0.00 174.62 172.85 1vha s THR 134 N -3.34 1.24 -0.54 5.08 -4.23 -1.26 -1.98 115.64 110.62 1vha s THR 134 Ca 0.25 -2.03 0.16 0.00 -1.18 0.00 0.00 61.69 58.88 1vha s THR 134 Cb -0.01 -2.66 0.80 0.00 1.34 0.00 0.00 72.50 71.97 1vha s THR 134 CO 0.14 -0.11 1.72 0.35 -0.54 0.00 0.00 174.62 176.19 1vha n THR 135 N -0.62 2.49 -3.66 3.99 -2.24 -1.26 -4.95 114.28 108.02 1vha n THR 135 Ca -0.03 -1.34 -0.29 0.00 -2.27 0.00 0.00 64.05 60.12 1vha n THR 135 Cb 0.66 -0.15 0.04 0.00 -2.10 0.00 0.00 70.33 68.78 1vha n THR 135 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vha n GLU 136 N 0.80 -1.69 -1.02 -0.78 1.02 -1.26 -1.97 120.64 115.74 1vha n GLU 136 Ca 0.27 0.50 -0.01 0.00 -0.02 0.00 0.00 57.16 57.91 1vha n GLU 136 Cb 1.11 -4.38 -0.00 0.00 -0.02 0.00 0.00 31.44 28.15 1vha n GLU 136 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1vha n LYS 137 N -4.12 -1.53 -4.01 3.49 4.76 -1.26 -4.99 118.16 110.50 1vha n LYS 137 Ca -0.12 0.42 -0.26 0.00 -2.87 0.00 0.00 58.31 55.49 1vha n LYS 137 Cb 0.61 -4.59 -0.04 0.00 -1.84 0.00 0.00 35.03 29.17 1vha n LYS 137 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1vha s LEU 138 N -0.17 4.09 0.00 -0.35 1.43 -0.83 -4.21 118.68 118.64 1vha s LEU 138 Ca 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1vha s LEU 138 Cb 0.00 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1vha s LEU 138 CO 0.00 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1vha n GLY 139 N -0.57 -1.67 0.19 -3.19 0.00 -1.26 -1.38 105.19 97.32 1vha n GLY 139 Ca -0.08 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1vha n GLY 139 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1vha h PHE 140 N -0.23 0.15 -0.03 1.61 -5.15 -1.96 0.46 116.94 111.80 1vha h PHE 140 Ca 0.01 -0.04 -0.19 0.00 -0.20 0.00 0.00 57.97 57.55 1vha h PHE 140 Cb 0.23 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.35 1vha h PHE 140 CO 0.00 0.49 -0.82 1.79 -2.00 0.00 0.00 178.31 177.77 1vha h THR 141 N 0.11 1.43 -0.70 0.88 1.35 -1.75 -0.28 112.91 113.96 1vha h THR 141 Ca 0.01 -2.38 -0.07 0.00 -0.55 0.00 0.00 66.41 63.42 1vha h THR 141 Cb 0.72 2.31 -0.03 0.00 -1.73 0.00 0.00 68.15 69.42 1vha h THR 141 CO 0.05 0.70 0.16 1.23 -0.25 0.00 0.00 175.52 177.42 1vha h GLY 142 N 1.52 1.20 -0.20 5.82 0.00 -0.57 -1.56 103.07 109.28 1vha h GLY 142 Ca -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1vha h GLY 142 CO 0.13 0.70 0.00 0.54 0.00 0.00 0.00 176.54 177.91 1vha n ARG 143 N -4.23 1.28 -3.55 4.80 1.74 0.09 -4.52 116.66 112.27 1vha n ARG 143 Ca 0.05 -0.43 -0.24 0.00 -0.77 0.00 0.00 57.85 56.46 1vha n ARG 143 Cb 0.26 -1.22 0.07 0.00 -1.02 0.00 0.00 32.46 30.56 1vha n ARG 143 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vha n GLN 144 N -0.25 -7.39 0.01 5.56 6.02 -0.59 -4.87 117.38 115.87 1vha n GLN 144 Ca 0.10 0.82 0.12 0.00 -0.01 0.00 0.00 57.00 58.02 1vha n GLN 144 Cb 0.14 -5.84 0.19 0.00 1.02 0.00 0.00 30.24 25.75 1vha n GLN 144 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1vha n GLU 145 N -4.86 0.07 -3.24 -1.09 1.02 -0.14 -4.95 120.64 107.45 1vha n GLU 145 Ca -0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1vha n GLU 145 Cb 0.56 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1vha n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vha n GLY 146 N 1.46 -1.31 3.21 0.62 0.00 -1.23 -2.03 105.19 105.91 1vha n GLY 146 Ca 0.05 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1vha n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vha s ILE 147 N -2.86 0.61 0.19 -0.61 -4.36 -0.72 -4.30 121.20 109.15 1vha s ILE 147 Ca 0.00 -1.96 -0.03 0.00 -0.26 0.00 0.00 60.65 58.41 1vha s ILE 147 Cb 0.00 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1vha s ILE 147 CO 0.00 -0.59 0.16 0.00 0.24 0.00 0.00 174.94 174.74 1vha s ALA 148 N -3.70 0.90 -0.18 2.27 0.00 0.15 -1.22 121.76 119.98 1vha s ALA 148 Ca 0.20 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.48 1vha s ALA 148 Cb 0.06 1.21 0.05 0.00 0.00 0.00 0.00 23.12 24.44 1vha s ALA 148 CO 0.01 -0.60 0.47 0.00 0.00 0.00 0.00 175.76 175.64 1vha s GLU 150 N 0.32 2.28 -0.04 0.00 2.56 0.48 -2.10 118.70 122.20 1vha s GLU 150 Ca -0.01 -0.85 -0.13 0.00 0.00 0.00 0.00 54.97 53.98 1vha s GLU 150 Cb -0.04 -2.29 0.02 0.00 2.00 0.00 0.00 34.13 33.83 1vha s GLU 150 CO -0.00 0.58 0.30 0.00 -0.56 0.00 0.00 175.26 175.57 1vha s ALA 151 N -0.87 -0.75 0.03 6.30 0.00 -0.33 -0.31 121.76 125.83 1vha s ALA 151 Ca 0.14 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1vha s ALA 151 Cb -0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1vha s ALA 151 CO 0.04 -0.23 -0.12 0.14 0.00 0.00 0.00 175.76 175.59 1vha s VAL 152 N -0.96 0.93 0.01 0.00 -7.23 -0.71 -0.52 120.40 111.91 1vha s VAL 152 Ca -0.10 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1vha s VAL 152 Cb -0.05 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.03 1vha s VAL 152 CO 0.03 -0.03 -0.03 0.00 -0.31 0.00 0.00 175.10 174.76 1vha s ALA 153 N -0.82 0.19 -0.16 1.32 0.00 0.16 -2.35 121.76 120.11 1vha s ALA 153 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1vha s ALA 153 Cb -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1vha s ALA 153 CO 0.01 -0.03 -0.15 -1.17 0.00 0.00 0.00 175.76 174.42 1vha s LEU 154 N -0.67 2.48 -0.06 0.00 2.96 -0.80 -0.21 118.68 122.38 1vha s LEU 154 Ca -0.06 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1vha s LEU 154 Cb -0.05 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1vha s LEU 154 CO -0.00 0.07 0.05 -0.76 -1.32 0.00 0.00 176.35 174.39 1vha s LEU 155 N 0.88 3.81 -0.13 -0.68 1.43 0.17 -0.10 118.68 124.06 1vha s LEU 155 Ca -0.04 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1vha s LEU 155 Cb -0.15 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1vha s LEU 155 CO -0.01 0.34 -0.18 -0.63 0.23 0.00 0.00 176.35 176.10 1vha s ILE 156 N -1.02 1.75 0.07 -0.59 1.01 0.15 -0.70 121.20 121.87 1vha s ILE 156 Ca 0.17 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 59.73 1vha s ILE 156 Cb -0.12 -1.58 -0.09 0.00 0.01 0.00 0.00 42.46 40.69 1vha s ILE 156 CO 0.07 0.49 1.73 -0.60 0.00 0.00 0.00 174.94 176.63 1vha s ARG 157 N 1.01 4.17 0.00 2.79 3.52 -0.30 0.03 118.95 130.17 1vha s ARG 157 Ca -0.04 2.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 1vha s ARG 157 Cb -0.15 -3.69 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 1vha s ARG 157 CO -0.04 -0.79 0.43 0.94 -0.81 0.00 0.00 175.30 175.03