#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1slh s THR 3 N 0.00 5.21 0.18 0.44 2.01 -1.26 -5.08 115.64 117.14 1slh s THR 3 Ca 0.00 0.79 -0.11 0.00 0.31 0.00 0.00 61.69 62.69 1slh s THR 3 Cb 0.00 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 1slh s THR 3 CO 0.00 0.30 0.53 0.42 -0.69 0.00 0.00 174.62 175.18 1slh s THR 4 N 0.90 4.94 -0.11 -0.82 -4.23 -1.26 -5.06 115.64 109.99 1slh s THR 4 Ca 0.22 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.30 1slh s THR 4 Cb -0.15 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.06 1slh s THR 4 CO 0.08 0.07 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.89 1slh s LEU 5 N -2.44 1.54 -0.08 4.79 2.96 -1.26 -4.87 118.68 119.32 1slh s LEU 5 Ca 0.42 -0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.68 1slh s LEU 5 Cb -0.13 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.57 1slh s LEU 5 CO 0.20 -0.03 0.95 0.00 -1.32 0.00 0.00 176.35 176.15 1slh s ALA 6 N 1.21 3.35 -0.02 5.97 0.00 -1.26 -4.95 121.76 126.05 1slh s ALA 6 Ca -0.03 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1slh s ALA 6 Cb -0.14 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1slh s ALA 6 CO -0.04 -0.47 -0.11 -1.50 0.00 0.00 0.00 175.76 173.64 1slh s ILE 7 N 1.66 0.90 -0.20 0.00 2.07 -1.26 -1.22 121.20 123.16 1slh s ILE 7 Ca 0.47 -0.46 -0.03 0.00 -1.41 0.00 0.00 60.65 59.23 1slh s ILE 7 Cb -0.19 -0.78 -0.01 0.00 0.13 0.00 0.00 42.46 41.62 1slh s ILE 7 CO 0.20 0.27 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.73 1slh s VAL 8 N -0.05 3.19 -0.94 4.00 1.01 -0.23 -5.00 120.40 122.38 1slh s VAL 8 Ca 0.01 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 1slh s VAL 8 Cb -0.07 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.96 1slh s VAL 8 CO 0.00 0.45 1.31 -0.13 0.00 0.00 0.00 175.10 176.73 1slh s ARG 9 N 1.28 3.51 0.35 2.72 0.52 -1.26 -2.15 118.95 123.93 1slh s ARG 9 Ca 0.03 -1.16 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1slh s ARG 9 Cb -0.14 -5.02 0.68 0.00 0.52 0.00 0.00 34.95 30.99 1slh s ARG 9 CO -0.03 -2.06 1.96 -0.07 0.02 0.00 0.00 175.30 175.12 1slh h LEU 10 N 12.09 0.72 -7.82 2.53 3.38 -1.42 -3.29 115.31 121.49 1slh h LEU 10 Ca 0.10 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.36 1slh h LEU 10 Cb 1.02 -0.16 -0.33 0.00 0.09 0.00 0.00 40.66 41.29 1slh h LEU 10 CO 1.31 0.48 -0.46 -0.62 0.09 0.00 0.00 178.44 179.23 1slh s ASP 11 N -6.21 5.42 0.00 -0.43 -1.08 -0.96 -4.93 116.67 108.48 1slh s ASP 11 Ca -0.10 -2.14 0.09 0.00 -0.52 0.00 0.00 52.55 49.88 1slh s ASP 11 Cb 0.19 -1.90 0.44 0.00 -1.46 0.00 0.00 42.92 40.20 1slh s ASP 11 CO 0.78 -0.56 1.17 -0.81 0.52 0.00 0.00 175.17 176.26 1slh n PRO 12 N 4.50 0.11 0.00 4.34 -0.04 -1.24 -2.01 135.00 140.66 1slh n PRO 12 Ca -0.02 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.80 1slh n PRO 12 Cb 0.41 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 32.98 1slh n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1slh n GLY 13 N -0.53 -1.15 3.92 0.55 0.00 -1.26 -4.86 105.19 101.86 1slh n GLY 13 Ca 0.04 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1slh n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1slh s LEU 14 N -2.64 4.24 0.51 0.99 1.43 -0.85 -5.06 118.68 117.30 1slh s LEU 14 Ca 0.25 0.10 -0.19 0.00 -1.03 0.00 0.00 54.13 53.25 1slh s LEU 14 Cb 0.20 -2.81 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 1slh s LEU 14 CO 0.50 0.03 1.03 -2.84 0.23 0.00 0.00 176.35 175.31 1slh s PRO 15 N -3.35 3.73 0.12 1.29 0.02 -1.26 -4.97 135.00 130.58 1slh s PRO 15 Ca 0.34 1.28 -0.31 0.00 0.02 0.00 0.00 61.00 62.33 1slh s PRO 15 Cb -0.10 -2.09 -0.08 0.00 0.02 0.00 0.00 34.50 32.25 1slh s PRO 15 CO 0.28 -0.48 1.34 -1.17 -0.33 0.00 0.00 177.00 176.64 1slh s LEU 16 N -3.75 4.38 0.38 -5.54 2.96 -1.26 -4.92 118.68 110.93 1slh s LEU 16 Ca 0.65 2.28 -0.26 0.00 -0.22 0.00 0.00 54.13 56.59 1slh s LEU 16 Cb -0.15 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.83 1slh s LEU 16 CO 0.24 -0.60 1.14 -2.65 -1.32 0.00 0.00 176.35 173.16 1slh n PRO 17 N 3.72 1.67 -4.13 0.98 -0.02 -1.26 -5.00 135.00 130.97 1slh n PRO 17 Ca 0.10 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 1slh n PRO 17 Cb 0.43 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.66 1slh n PRO 17 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1slh s SER 18 N -0.56 0.40 -0.24 2.55 1.04 -1.26 -4.98 113.70 110.65 1slh s SER 18 Ca 0.60 -1.12 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 1slh s SER 18 Cb -0.57 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1slh s SER 18 CO 0.59 -0.67 0.27 -0.60 0.98 0.00 0.00 173.24 173.81 1slh s ARG 19 N -3.99 4.07 0.21 4.02 3.52 -1.26 -3.77 118.95 121.74 1slh s ARG 19 Ca 0.17 -0.09 -0.07 0.00 -0.13 0.00 0.00 55.73 55.61 1slh s ARG 19 Cb 0.08 -3.58 0.16 0.00 -1.56 0.00 0.00 34.95 30.05 1slh s ARG 19 CO -0.03 -0.07 1.75 0.00 -0.81 0.00 0.00 175.30 176.14 1slh h ALA 20 N 7.74 1.01 -2.24 6.12 0.00 -1.94 -3.45 119.26 126.50 1slh h ALA 20 Ca -0.36 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 1slh h ALA 20 Cb 1.17 -0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.53 1slh h ALA 20 CO 0.65 0.66 -0.69 -1.01 0.00 0.00 0.00 179.25 178.86 1slh s HIS 21 N -5.39 0.78 0.28 0.00 3.76 -1.26 -5.07 115.29 108.39 1slh s HIS 21 Ca -0.12 -0.97 0.02 0.00 -0.15 0.00 0.00 55.06 53.85 1slh s HIS 21 Cb 0.15 -0.48 0.64 0.00 1.11 0.00 0.00 32.58 34.00 1slh s HIS 21 CO 0.84 -0.23 1.77 -0.44 -0.85 0.00 0.00 174.74 175.83 1slh h ASP 22 N 3.02 0.65 -0.02 1.40 3.32 -2.04 -2.63 116.42 120.12 1slh h ASP 22 Ca -0.35 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1slh h ASP 22 Cb 1.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1slh h ASP 22 CO 0.65 0.25 -0.11 0.61 -1.72 0.00 0.00 179.24 178.91 1slh n GLY 23 N -1.33 0.70 3.61 2.75 0.00 -1.26 -4.99 105.19 104.67 1slh n GLY 23 Ca 0.20 -0.66 -0.50 0.00 0.00 0.00 0.00 46.02 45.06 1slh n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1slh n ASP 24 N 0.94 1.99 0.10 1.61 9.92 -0.99 -4.93 116.55 125.18 1slh n ASP 24 Ca 0.13 1.11 -0.12 0.00 -0.53 0.00 0.00 54.79 55.38 1slh n ASP 24 Cb 0.55 -1.25 -0.06 0.00 -0.64 0.00 0.00 41.12 39.73 1slh n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1slh h ALA 25 N 4.85 -0.27 -3.24 2.24 0.00 -1.94 -3.47 119.26 117.43 1slh h ALA 25 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1slh h ALA 25 Cb 1.32 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1slh h ALA 25 CO 0.80 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1slh n GLY 26 N -1.29 4.68 3.27 0.00 0.00 -1.26 -4.65 105.19 105.95 1slh n GLY 26 Ca -0.07 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1slh n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1slh s VAL 27 N -1.26 1.98 0.17 1.61 -7.23 -0.19 -4.64 120.40 110.84 1slh s VAL 27 Ca 0.00 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1slh s VAL 27 Cb 0.00 -1.66 -0.08 0.00 0.56 0.00 0.00 36.38 35.20 1slh s VAL 27 CO 0.00 0.55 1.16 -1.81 -0.31 0.00 0.00 175.10 174.69 1slh s ASP 28 N -0.33 7.16 0.09 4.85 1.01 -1.25 -0.37 116.67 127.83 1slh s ASP 28 Ca 0.02 2.16 -0.06 0.00 0.71 0.00 0.00 52.55 55.38 1slh s ASP 28 Cb -0.12 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.15 1slh s ASP 28 CO 0.02 -0.32 0.35 -0.76 0.21 0.00 0.00 175.17 174.67 1slh s LEU 29 N -0.22 4.32 0.32 1.23 1.43 -0.35 -4.40 118.68 121.01 1slh s LEU 29 Ca 0.52 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.30 1slh s LEU 29 Cb -0.31 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 1slh s LEU 29 CO 0.36 0.14 0.40 -0.31 0.23 0.00 0.00 176.35 177.16 1slh s TYR 30 N -1.50 3.12 -0.14 0.29 1.51 -1.26 -1.38 117.35 118.00 1slh s TYR 30 Ca 0.35 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 56.10 1slh s TYR 30 Cb -0.13 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1slh s TYR 30 CO 0.21 0.13 0.22 0.45 -1.11 0.00 0.00 175.55 175.45 1slh s SER 31 N -4.09 6.41 0.00 2.29 0.15 -0.42 -4.21 113.70 113.83 1slh s SER 31 Ca 0.42 0.48 0.26 0.00 0.70 0.00 0.00 55.95 57.80 1slh s SER 31 Cb -0.09 -2.14 0.65 0.00 -1.71 0.00 0.00 66.02 62.74 1slh s SER 31 CO 0.30 0.23 1.50 0.00 1.20 0.00 0.00 173.24 176.47 1slh n ALA 32 N 2.93 3.14 -2.20 5.45 0.00 0.13 -0.96 120.51 129.01 1slh n ALA 32 Ca -0.15 -0.44 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1slh n ALA 32 Cb 0.53 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 1slh n ALA 32 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1slh s GLU 33 N -2.49 0.99 -0.18 0.00 -1.05 -1.26 -4.83 118.70 109.88 1slh s GLU 33 Ca 0.24 -1.47 -0.14 0.00 -0.15 0.00 0.00 54.97 53.45 1slh s GLU 33 Cb 0.19 -0.07 -0.05 0.00 -0.44 0.00 0.00 34.13 33.76 1slh s GLU 33 CO 0.52 -0.16 0.29 -0.51 0.95 0.00 0.00 175.26 176.36 1slh s ASP 34 N -3.11 6.39 0.03 0.83 1.01 -1.26 -2.66 116.67 117.90 1slh s ASP 34 Ca 0.22 0.45 -0.03 0.00 0.71 0.00 0.00 52.55 53.89 1slh s ASP 34 Cb 0.07 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1slh s ASP 34 CO 0.02 0.06 0.05 -0.69 0.21 0.00 0.00 175.17 174.81 1slh s VAL 35 N 0.71 0.14 -0.04 -1.27 1.01 -0.02 -4.96 120.40 115.97 1slh s VAL 35 Ca 0.16 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1slh s VAL 35 Cb -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1slh s VAL 35 CO 0.04 -0.62 -0.07 -0.70 0.00 0.00 0.00 175.10 173.76 1slh s GLU 36 N -2.41 0.98 -0.15 2.72 2.12 -1.26 -0.69 118.70 120.01 1slh s GLU 36 Ca -0.07 -0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.06 1slh s GLU 36 Cb -0.03 -0.92 -0.01 0.00 0.26 0.00 0.00 34.13 33.44 1slh s GLU 36 CO -0.04 -0.02 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.03 1slh s LEU 37 N 0.69 2.71 0.54 2.70 1.43 -0.17 -4.97 118.68 121.61 1slh s LEU 37 Ca -0.10 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1slh s LEU 37 Cb -0.13 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1slh s LEU 37 CO 0.01 0.11 0.89 0.00 0.23 0.00 0.00 176.35 177.59 1slh s ALA 38 N 0.65 3.28 -0.11 4.21 0.00 -1.26 -1.06 121.76 127.47 1slh s ALA 38 Ca -0.06 -0.35 -0.38 0.00 0.00 0.00 0.00 51.96 51.16 1slh s ALA 38 Cb -0.15 -2.78 -0.16 0.00 0.00 0.00 0.00 23.12 20.03 1slh s ALA 38 CO 0.02 -0.50 1.57 -2.30 0.00 0.00 0.00 175.76 174.55 1slh n PRO 39 N -2.46 1.19 -0.89 0.00 -0.02 -1.26 -0.98 135.00 130.57 1slh n PRO 39 Ca 0.03 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1slh n PRO 39 Cb 0.55 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1slh n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1slh n GLY 40 N 3.45 0.87 3.93 -1.23 0.00 0.09 -5.03 105.19 107.27 1slh n GLY 40 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1slh n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1slh s ARG 41 N -0.11 3.48 0.48 1.61 0.52 -0.15 -4.80 118.95 119.98 1slh s ARG 41 Ca 0.00 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 1slh s ARG 41 Cb 0.00 -2.93 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1slh s ARG 41 CO 0.00 0.49 0.15 -0.98 0.02 0.00 0.00 175.30 174.99 1slh s ARG 42 N -3.09 2.19 -0.02 3.54 1.70 -1.26 -1.50 118.95 120.51 1slh s ARG 42 Ca 0.36 -2.13 -0.29 0.00 -0.47 0.00 0.00 55.73 53.21 1slh s ARG 42 Cb -0.11 -1.80 0.08 0.00 -0.57 0.00 0.00 34.95 32.54 1slh s ARG 42 CO 0.28 -0.32 0.73 0.00 -1.08 0.00 0.00 175.30 174.91 1slh s ALA 43 N -2.76 -1.77 -0.41 7.88 0.00 -0.19 -4.97 121.76 119.54 1slh s ALA 43 Ca 0.26 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 53.35 1slh s ALA 43 Cb 0.02 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.33 1slh s ALA 43 CO 0.14 -0.46 0.22 -1.17 0.00 0.00 0.00 175.76 174.50 1slh s LEU 44 N -1.56 5.24 0.06 0.00 2.96 -1.26 -0.85 118.68 123.27 1slh s LEU 44 Ca -0.06 -1.91 -0.16 0.00 -0.22 0.00 0.00 54.13 51.78 1slh s LEU 44 Cb -0.00 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 1slh s LEU 44 CO 0.03 -0.55 0.48 -0.69 -1.32 0.00 0.00 176.35 174.30 1slh s VAL 45 N 1.21 4.91 0.10 1.68 1.01 0.34 -4.86 120.40 124.79 1slh s VAL 45 Ca 0.06 0.93 -0.24 0.00 0.00 0.00 0.00 61.98 62.73 1slh s VAL 45 Cb -0.23 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1slh s VAL 45 CO -0.03 0.49 0.74 -0.13 0.00 0.00 0.00 175.10 176.17 1slh s ARG 46 N -1.32 4.48 -0.00 2.72 0.52 -1.26 -1.16 118.95 122.93 1slh s ARG 46 Ca 0.29 1.04 0.21 0.00 -0.52 0.00 0.00 55.73 56.75 1slh s ARG 46 Cb -0.17 -3.31 -0.21 0.00 0.52 0.00 0.00 34.95 31.78 1slh s ARG 46 CO 0.17 0.45 0.89 0.25 0.02 0.00 0.00 175.30 177.08 1slh n THR 47 N 2.17 0.00 -1.10 0.02 -2.24 -0.93 -0.69 114.28 111.51 1slh n THR 47 Ca -0.05 -0.03 -0.04 0.00 -2.27 0.00 0.00 64.05 61.66 1slh n THR 47 Cb 0.50 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1slh n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1slh n GLY 48 N 1.49 0.66 3.02 3.38 0.00 -1.26 -4.52 105.19 107.95 1slh n GLY 48 Ca 0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1slh n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1slh s VAL 49 N -2.11 0.14 -0.02 1.61 -7.23 -1.26 -1.01 120.40 110.52 1slh s VAL 49 Ca 0.00 -1.13 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1slh s VAL 49 Cb 0.00 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.34 1slh s VAL 49 CO 0.00 -0.62 -0.09 0.00 -0.31 0.00 0.00 175.10 174.07 1slh s ALA 50 N -2.11 0.85 0.28 1.32 0.00 -0.91 -0.54 121.76 120.66 1slh s ALA 50 Ca -0.10 -0.35 0.11 0.00 0.00 0.00 0.00 51.96 51.62 1slh s ALA 50 Cb -0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1slh s ALA 50 CO -0.03 0.15 -0.16 0.14 0.00 0.00 0.00 175.76 175.86 1slh s VAL 51 N 0.11 2.28 -0.86 0.00 -7.23 -1.26 -1.07 120.40 112.37 1slh s VAL 51 Ca -0.02 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 57.83 1slh s VAL 51 Cb -0.08 -2.35 0.23 0.00 0.56 0.00 0.00 36.38 34.74 1slh s VAL 51 CO 0.00 -0.38 0.84 0.00 -0.31 0.00 0.00 175.10 175.26 1slh n ALA 52 N -0.63 3.98 -1.70 1.32 0.00 -0.35 -4.52 120.51 118.61 1slh n ALA 52 Ca -0.05 -4.65 -0.42 0.00 0.00 0.00 0.00 53.44 48.32 1slh n ALA 52 Cb 0.61 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1slh n ALA 52 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1slh s VAL 53 N -1.76 2.42 0.38 0.00 1.01 -1.26 -4.33 120.40 116.86 1slh s VAL 53 Ca 0.30 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 1slh s VAL 53 Cb -0.01 -3.01 -0.11 0.00 0.00 0.00 0.00 36.38 33.25 1slh s VAL 53 CO -0.08 0.00 1.39 -2.65 0.00 0.00 0.00 175.10 173.76 1slh n PRO 54 N 5.44 2.38 -1.64 2.72 -0.02 -1.26 -4.46 135.00 138.15 1slh n PRO 54 Ca 0.18 0.84 -0.45 0.00 -2.02 0.00 0.00 63.50 62.04 1slh n PRO 54 Cb 0.38 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 1slh n PRO 54 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1slh n PHE 55 N 0.28 1.82 -0.13 6.00 7.35 -1.26 -0.84 117.46 130.68 1slh n PHE 55 Ca 0.03 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 1slh n PHE 55 Cb 0.38 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.85 1slh n PHE 55 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1slh n GLY 56 N 1.50 1.31 3.05 7.13 0.00 -1.26 -5.02 105.19 111.91 1slh n GLY 56 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1slh n GLY 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1slh n MET 57 N -2.00 0.95 -3.69 1.61 2.81 -0.02 -0.71 117.12 116.07 1slh n MET 57 Ca 0.00 -3.04 -0.14 0.00 -1.81 0.00 0.00 57.70 52.72 1slh n MET 57 Cb 0.00 0.73 -0.09 0.00 -0.71 0.00 0.00 33.22 33.15 1slh n MET 57 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1slh s VAL 58 N -2.47 0.00 0.30 2.03 0.11 0.41 -4.41 120.40 116.38 1slh s VAL 58 Ca 0.05 -0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 1slh s VAL 58 Cb -0.00 -0.72 -0.09 0.00 -1.53 0.00 0.00 36.38 34.04 1slh s VAL 58 CO 0.03 -0.02 0.72 -0.83 -3.33 0.00 0.00 175.10 171.67 1slh s GLY 59 N 0.03 2.37 -0.11 6.54 0.00 -0.18 -1.39 107.32 114.59 1slh s GLY 59 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.69 1slh s GLY 59 CO 0.02 0.26 0.23 1.08 0.00 0.00 0.00 173.10 174.68 1slh s LEU 60 N -2.81 -0.13 -0.33 0.66 1.43 0.14 -1.60 118.68 116.05 1slh s LEU 60 Ca 0.52 0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 53.95 1slh s LEU 60 Cb -0.11 0.57 -0.01 0.00 0.03 0.00 0.00 46.19 46.66 1slh s LEU 60 CO 0.18 -0.23 0.46 -0.69 0.23 0.00 0.00 176.35 176.30 1slh s VAL 61 N 2.22 5.08 0.18 -1.59 1.01 -0.00 -0.95 120.40 126.35 1slh s VAL 61 Ca 0.00 0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.40 1slh s VAL 61 Cb -0.12 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1slh s VAL 61 CO -0.08 -0.11 -0.01 -1.00 0.00 0.00 0.00 175.10 173.90 1slh s HIS 62 N 2.25 2.80 0.59 5.22 3.76 0.26 -1.77 115.29 128.40 1slh s HIS 62 Ca 0.17 -0.16 -0.14 0.00 -0.15 0.00 0.00 55.06 54.78 1slh s HIS 62 Cb -0.16 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1slh s HIS 62 CO 0.12 0.52 1.02 -2.14 -0.85 0.00 0.00 174.74 173.42 1slh s PRO 63 N -2.98 3.56 -0.10 8.40 0.02 -1.26 -1.59 135.00 141.04 1slh s PRO 63 Ca 0.27 0.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.03 1slh s PRO 63 Cb -0.09 -2.08 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1slh s PRO 63 CO 0.18 -0.60 0.52 1.03 -0.33 0.00 0.00 177.00 177.81 1slh s ARG 64 N -4.59 4.35 0.28 5.54 0.52 -1.26 -4.76 118.95 119.03 1slh s ARG 64 Ca 0.58 0.54 0.08 0.00 -0.52 0.00 0.00 55.73 56.41 1slh s ARG 64 Cb -0.12 -3.43 0.41 0.00 0.52 0.00 0.00 34.95 32.34 1slh s ARG 64 CO 0.44 0.17 1.66 0.66 0.02 0.00 0.00 175.30 178.24 1slh h SER 65 N 6.62 0.16 0.12 0.23 4.64 -1.95 -2.10 113.55 121.27 1slh h SER 65 Ca -0.41 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1slh h SER 65 Cb 1.18 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1slh h SER 65 CO 0.75 0.64 -0.27 1.23 -0.87 0.00 0.00 176.83 178.31 1slh h GLY 66 N 1.42 -1.14 0.59 -0.77 0.00 -1.99 -1.52 103.07 99.67 1slh h GLY 66 Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 47.33 47.97 1slh h GLY 66 CO 0.07 -0.35 0.49 1.41 0.00 0.00 0.00 176.54 178.16 1slh h LEU 67 N -0.42 0.73 -0.93 3.11 3.38 -1.92 0.20 115.31 119.45 1slh h LEU 67 Ca -0.01 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1slh h LEU 67 Cb 0.41 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 1slh h LEU 67 CO -0.12 0.43 0.53 0.00 0.09 0.00 0.00 178.44 179.38 1slh h ALA 68 N 1.44 1.46 0.00 1.53 0.00 -0.99 -0.28 119.26 122.42 1slh h ALA 68 Ca 0.39 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 1slh h ALA 68 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1slh h ALA 68 CO -0.22 -0.03 -0.61 1.15 0.00 0.00 0.00 179.25 179.54 1slh h THR 69 N 0.73 1.03 0.08 0.00 2.02 -0.47 -1.77 112.91 114.53 1slh h THR 69 Ca 0.51 -1.99 0.02 0.00 0.77 0.00 0.00 66.41 65.73 1slh h THR 69 Cb 0.72 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 69.26 1slh h THR 69 CO -0.36 0.35 -0.32 0.03 0.37 0.00 0.00 175.52 175.60 1slh h ARG 70 N -1.00 -0.50 -0.11 6.66 3.08 -0.88 -3.31 114.38 118.32 1slh h ARG 70 Ca -0.15 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1slh h ARG 70 Cb 0.98 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1slh h ARG 70 CO -0.09 -0.33 0.00 1.33 -1.07 0.00 0.00 179.97 179.81 1slh n VAL 71 N -5.41 0.78 -2.12 2.04 0.24 -0.19 -4.99 118.33 108.68 1slh n VAL 71 Ca -0.06 -0.89 -0.12 0.00 -2.04 0.00 0.00 64.34 61.23 1slh n VAL 71 Cb 0.33 0.63 -0.01 0.00 -1.47 0.00 0.00 33.84 33.32 1slh n VAL 71 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1slh n GLY 72 N -0.00 0.05 3.76 7.63 0.00 -0.67 -4.34 105.19 111.63 1slh n GLY 72 Ca 0.04 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 1slh n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1slh s LEU 73 N -3.30 4.54 0.30 0.99 2.96 -1.07 -0.98 118.68 122.13 1slh s LEU 73 Ca 0.00 2.30 -0.11 0.00 -0.22 0.00 0.00 54.13 56.10 1slh s LEU 73 Cb 0.00 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.07 1slh s LEU 73 CO 0.00 -0.17 0.55 -0.55 -1.32 0.00 0.00 176.35 174.87 1slh s SER 74 N -0.86 0.21 -0.18 3.68 0.15 -0.41 -3.61 113.70 112.69 1slh s SER 74 Ca 0.45 -1.11 0.01 0.00 0.70 0.00 0.00 55.95 56.00 1slh s SER 74 Cb -0.32 0.67 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 1slh s SER 74 CO 0.42 -1.31 -0.18 -0.63 1.20 0.00 0.00 173.24 172.74 1slh s ILE 75 N -3.41 1.96 0.24 6.45 1.01 -1.26 -0.32 121.20 125.87 1slh s ILE 75 Ca 0.23 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1slh s ILE 75 Cb -0.02 -1.79 0.21 0.00 0.01 0.00 0.00 42.46 40.87 1slh s ILE 75 CO 0.13 0.50 1.73 0.58 0.00 0.00 0.00 174.94 177.88 1slh h VAL 76 N 5.99 0.68 -0.86 2.92 2.07 -1.39 -2.14 116.25 123.51 1slh h VAL 76 Ca -0.44 -0.16 -0.57 0.00 0.82 0.00 0.00 66.70 66.35 1slh h VAL 76 Cb 1.14 0.18 -0.31 0.00 -1.52 0.00 0.00 31.29 30.78 1slh h VAL 76 CO 0.61 0.08 0.30 -0.46 0.02 0.00 0.00 177.57 178.12 1slh n ASN 77 N -4.99 5.99 -4.74 0.57 6.94 -1.26 -5.01 115.26 112.75 1slh n ASN 77 Ca 0.14 -3.76 -0.41 0.00 -0.02 0.00 0.00 54.58 50.52 1slh n ASN 77 Cb 0.40 -0.76 -0.03 0.00 -2.36 0.00 0.00 39.78 37.03 1slh n ASN 77 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1slh s SER 78 N -2.33 7.03 0.00 0.53 0.15 -0.81 -2.01 113.70 116.27 1slh s SER 78 Ca 0.58 2.32 -0.26 0.00 0.70 0.00 0.00 55.95 59.29 1slh s SER 78 Cb 0.47 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1slh s SER 78 CO 0.02 -0.40 0.82 -2.16 1.20 0.00 0.00 173.24 172.72 1slh s PRO 79 N -0.50 4.51 0.30 5.44 0.04 -1.26 -5.09 135.00 138.43 1slh s PRO 79 Ca 0.52 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1slh s PRO 79 Cb -0.34 -3.42 -0.10 0.00 0.04 0.00 0.00 34.50 30.68 1slh s PRO 79 CO 0.39 0.11 1.14 0.20 0.04 0.00 0.00 177.00 178.89 1slh s GLY 80 N 0.52 3.04 -0.20 0.56 0.00 -0.73 -4.78 107.32 105.74 1slh s GLY 80 Ca 0.42 0.97 -0.13 0.00 0.00 0.00 0.00 44.72 45.99 1slh s GLY 80 CO 0.23 1.58 0.27 -1.59 0.00 0.00 0.00 173.10 173.59 1slh s THR 81 N -1.18 5.30 -0.32 0.90 2.01 -1.26 -0.82 115.64 120.27 1slh s THR 81 Ca 0.46 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.90 1slh s THR 81 Cb -0.33 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 68.63 1slh s THR 81 CO 0.43 0.34 0.03 -0.63 -0.69 0.00 0.00 174.62 174.10 1slh s ILE 82 N 0.86 2.97 0.39 1.82 -1.09 -0.62 -4.98 121.20 120.55 1slh s ILE 82 Ca 0.14 -1.55 -0.25 0.00 -2.23 0.00 0.00 60.65 56.76 1slh s ILE 82 Cb -0.13 -2.78 -0.09 0.00 -1.58 0.00 0.00 42.46 37.88 1slh s ILE 82 CO 0.04 -0.22 1.17 -1.81 -1.23 0.00 0.00 174.94 172.90 1slh s ASP 83 N 1.32 6.55 0.33 3.58 1.01 -1.26 -1.01 116.67 127.19 1slh s ASP 83 Ca -0.02 2.36 0.09 0.00 0.71 0.00 0.00 52.55 55.69 1slh s ASP 83 Cb -0.20 -2.62 0.84 0.00 1.01 0.00 0.00 42.92 41.95 1slh s ASP 83 CO -0.02 -0.65 1.78 0.00 0.21 0.00 0.00 175.17 176.49 1slh h ALA 84 N 2.70 1.82 0.00 5.23 0.00 -1.78 0.06 119.26 127.30 1slh h ALA 84 Ca -0.49 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1slh h ALA 84 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1slh h ALA 84 CO 0.63 -0.20 -0.19 0.78 0.00 0.00 0.00 179.25 180.27 1slh h GLY 85 N 0.66 0.00 -5.89 0.00 0.00 -1.92 -3.37 103.07 92.55 1slh h GLY 85 Ca 0.57 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 47.35 1slh h GLY 85 CO -0.35 0.00 1.30 -0.47 0.00 0.00 0.00 176.54 177.02 1slh s TYR 86 N -3.38 1.33 -0.28 5.60 5.04 0.01 -4.84 117.35 120.82 1slh s TYR 86 Ca 0.03 -0.06 0.10 0.00 -2.44 0.00 0.00 57.07 54.70 1slh s TYR 86 Cb 0.08 -4.12 0.23 0.00 0.35 0.00 0.00 41.96 38.50 1slh s TYR 86 CO 0.65 -4.87 1.16 0.54 -1.34 0.00 0.00 175.55 171.69 1slh n ARG 87 N 7.91 2.56 -2.21 4.97 5.12 -1.26 -4.65 116.66 129.09 1slh n ARG 87 Ca 0.23 -2.10 -0.27 0.00 -1.93 0.00 0.00 57.85 53.77 1slh n ARG 87 Cb 0.43 -1.32 0.17 0.00 -1.16 0.00 0.00 32.46 30.57 1slh n ARG 87 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1slh s GLY 88 N -1.58 1.78 0.41 -0.13 0.00 -1.26 -4.80 107.32 101.74 1slh s GLY 88 Ca 0.20 -1.51 -0.24 0.00 0.00 0.00 0.00 44.72 43.17 1slh s GLY 88 CO 0.06 -0.78 1.12 1.85 0.00 0.00 0.00 173.10 175.35 1slh s GLU 89 N -5.62 4.03 0.20 2.90 2.12 -1.26 -4.43 118.70 116.63 1slh s GLU 89 Ca 0.72 1.69 -0.28 0.00 0.36 0.00 0.00 54.97 57.46 1slh s GLU 89 Cb -0.03 -2.56 -0.08 0.00 0.26 0.00 0.00 34.13 31.72 1slh s GLU 89 CO 0.50 -0.30 0.87 0.42 -0.54 0.00 0.00 175.26 176.21 1slh s ILE 90 N -1.54 4.24 0.02 -3.70 1.01 0.30 -4.97 121.20 116.55 1slh s ILE 90 Ca 0.59 1.92 0.03 0.00 0.00 0.00 0.00 60.65 63.18 1slh s ILE 90 Cb -0.27 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1slh s ILE 90 CO 0.33 0.49 -0.08 -0.54 0.00 0.00 0.00 174.94 175.14 1slh s LYS 91 N -1.06 0.61 -0.16 2.79 1.02 -1.26 -2.18 119.74 119.50 1slh s LYS 91 Ca 0.39 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 55.87 1slh s LYS 91 Cb -0.24 -0.54 -0.02 0.00 -0.52 0.00 0.00 37.83 36.51 1slh s LYS 91 CO 0.29 0.13 -0.07 0.08 -0.92 0.00 0.00 175.35 174.87 1slh s VAL 92 N -0.64 3.51 -1.14 3.17 1.01 -0.31 -4.91 120.40 121.10 1slh s VAL 92 Ca -0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 1slh s VAL 92 Cb -0.06 -2.53 0.14 0.00 0.00 0.00 0.00 36.38 33.93 1slh s VAL 92 CO 0.00 0.49 1.40 0.00 0.00 0.00 0.00 175.10 176.99 1slh s ALA 93 N 0.60 3.68 0.43 5.51 0.00 -1.26 -0.50 121.76 130.22 1slh s ALA 93 Ca -0.04 -3.10 -0.22 0.00 0.00 0.00 0.00 51.96 48.60 1slh s ALA 93 Cb -0.15 -4.20 -0.10 0.00 0.00 0.00 0.00 23.12 18.67 1slh s ALA 93 CO 0.03 -2.94 0.99 -0.51 0.00 0.00 0.00 175.76 173.32 1slh s LEU 94 N 2.40 3.98 -0.10 0.00 1.43 -0.03 -1.03 118.68 125.33 1slh s LEU 94 Ca 0.42 1.82 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 1slh s LEU 94 Cb -0.02 -4.44 0.03 0.00 0.03 0.00 0.00 46.19 41.78 1slh s LEU 94 CO -0.02 -0.47 0.25 -0.51 0.23 0.00 0.00 176.35 175.84 1slh s ILE 95 N -2.00 -0.00 -0.61 -0.59 2.07 0.57 -1.02 121.20 119.62 1slh s ILE 95 Ca 0.62 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.67 1slh s ILE 95 Cb -0.14 -0.36 0.09 0.00 0.13 0.00 0.00 42.46 42.18 1slh s ILE 95 CO 0.18 0.01 0.79 0.21 -1.91 0.00 0.00 174.94 174.21 1slh s ASN 96 N 0.27 6.18 0.00 4.50 3.84 -0.56 -1.29 114.94 127.89 1slh s ASN 96 Ca -0.01 -1.24 0.13 0.00 0.21 0.00 0.00 52.86 51.95 1slh s ASN 96 Cb -0.03 -2.34 0.45 0.00 -0.55 0.00 0.00 41.25 38.78 1slh s ASN 96 CO -0.01 -1.21 1.34 0.18 -2.79 0.00 0.00 177.10 174.61 1slh n LEU 97 N 6.79 1.39 -4.80 3.21 4.77 -0.15 -0.74 117.00 127.47 1slh n LEU 97 Ca -0.07 -0.66 -0.36 0.00 -0.03 0.00 0.00 56.01 54.89 1slh n LEU 97 Cb 0.44 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1slh n LEU 97 CO 0.60 0.33 0.57 -0.62 -1.33 0.00 0.00 177.39 176.94 1slh s ASP 98 N -1.20 7.19 0.25 -1.43 2.15 -1.25 -4.90 116.67 117.48 1slh s ASP 98 Ca 0.23 1.67 0.01 0.00 0.43 0.00 0.00 52.55 54.89 1slh s ASP 98 Cb 0.12 -2.52 0.31 0.00 -0.30 0.00 0.00 42.92 40.53 1slh s ASP 98 CO 0.17 -0.07 1.66 -0.65 -0.17 0.00 0.00 175.17 176.10 1slh h PRO 99 N 3.08 0.52 0.00 4.34 0.11 -1.95 -3.33 132.00 134.77 1slh h PRO 99 Ca -0.47 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.41 1slh h PRO 99 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1slh h PRO 99 CO 0.65 0.78 -0.46 0.00 -0.21 0.00 0.00 178.00 178.76 1slh n ALA 100 N -2.49 0.94 -2.81 -0.75 0.00 -1.26 -4.79 120.51 109.34 1slh n ALA 100 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1slh n ALA 100 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 1slh n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1slh s ALA 101 N -0.94 3.38 0.72 0.00 0.00 -1.26 -4.76 121.76 118.89 1slh s ALA 101 Ca 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1slh s ALA 101 Cb 0.00 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.91 1slh s ALA 101 CO 0.00 -0.41 1.24 -2.14 0.00 0.00 0.00 175.76 174.45 1slh s PRO 102 N 1.48 2.17 -0.05 0.00 0.02 -1.26 -4.62 135.00 132.74 1slh s PRO 102 Ca 0.06 1.88 0.03 0.00 0.02 0.00 0.00 61.00 62.99 1slh s PRO 102 Cb -0.15 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1slh s PRO 102 CO 0.06 -1.84 -0.12 0.42 -0.33 0.00 0.00 177.00 175.19 1slh s ILE 103 N -1.79 3.22 -0.20 2.83 1.01 -0.23 -4.96 121.20 121.08 1slh s ILE 103 Ca 0.77 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1slh s ILE 103 Cb -0.32 -2.28 0.04 0.00 0.01 0.00 0.00 42.46 39.91 1slh s ILE 103 CO 0.44 0.59 -0.13 -0.69 0.00 0.00 0.00 174.94 175.15 1slh s VAL 104 N -0.76 1.83 -0.18 2.92 1.01 -1.26 -0.99 120.40 122.97 1slh s VAL 104 Ca 0.12 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1slh s VAL 104 Cb -0.11 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1slh s VAL 104 CO 0.01 0.27 0.08 -0.69 0.00 0.00 0.00 175.10 174.76 1slh s VAL 105 N 1.33 4.95 -0.07 2.92 1.01 0.14 -5.01 120.40 125.67 1slh s VAL 105 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1slh s VAL 105 Cb -0.16 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1slh s VAL 105 CO -0.09 0.48 -0.06 -1.00 0.00 0.00 0.00 175.10 174.42 1slh s HIS 106 N 0.19 2.96 0.17 5.22 3.76 -1.26 -0.84 115.29 125.48 1slh s HIS 106 Ca 0.05 0.04 -0.34 0.00 -0.15 0.00 0.00 55.06 54.67 1slh s HIS 106 Cb -0.12 -1.72 -0.14 0.00 1.11 0.00 0.00 32.58 31.72 1slh s HIS 106 CO 0.00 0.35 1.56 -2.13 -0.85 0.00 0.00 174.74 173.66 1slh n ARG 107 N 2.20 2.12 0.00 1.40 0.63 -1.09 -1.01 116.66 120.91 1slh n ARG 107 Ca -0.18 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1slh n ARG 107 Cb 0.53 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1slh n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1slh n GLY 108 N 3.27 1.16 3.78 5.14 0.00 -0.13 -4.97 105.19 113.44 1slh n GLY 108 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1slh n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1slh s ASP 109 N -1.87 6.84 -0.49 1.61 1.01 -0.18 -4.74 116.67 118.86 1slh s ASP 109 Ca 0.00 2.04 -0.24 0.00 0.71 0.00 0.00 52.55 55.06 1slh s ASP 109 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 1slh s ASP 109 CO 0.00 -0.43 0.88 -0.13 0.21 0.00 0.00 175.17 175.70 1slh s ARG 110 N -2.39 3.41 0.00 8.23 0.52 -1.26 -1.31 118.95 126.16 1slh s ARG 110 Ca 0.56 -0.09 0.14 0.00 -0.52 0.00 0.00 55.73 55.82 1slh s ARG 110 Cb -0.22 -3.98 0.21 0.00 0.52 0.00 0.00 34.95 31.47 1slh s ARG 110 CO 0.28 -1.28 1.08 0.44 0.02 0.00 0.00 175.30 175.84 1slh n ILE 111 N 6.24 0.32 -3.95 1.52 -5.35 -0.48 -4.99 119.36 112.67 1slh n ILE 111 Ca 0.03 -0.66 0.02 0.00 -0.27 0.00 0.00 62.75 61.87 1slh n ILE 111 Cb 0.48 1.05 0.01 0.00 -1.74 0.00 0.00 39.64 39.44 1slh n ILE 111 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1slh n ALA 112 N 0.82 -2.68 -3.00 -1.28 0.00 -1.22 -4.62 120.51 108.52 1slh n ALA 112 Ca 0.11 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 1slh n ALA 112 Cb 0.40 0.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1slh n ALA 112 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1slh s GLN 113 N -2.01 0.22 -0.23 0.00 -2.07 -0.62 -1.21 119.66 113.73 1slh s GLN 113 Ca 0.22 -0.07 -0.07 0.00 -1.82 0.00 0.00 55.36 53.63 1slh s GLN 113 Cb -0.01 0.09 -0.03 0.00 -1.09 0.00 0.00 33.01 31.98 1slh s GLN 113 CO 0.00 -0.04 0.05 -1.17 -1.32 0.00 0.00 175.29 172.81 1slh s LEU 114 N -0.44 3.38 0.16 2.60 2.96 0.50 -0.58 118.68 127.26 1slh s LEU 114 Ca -0.05 -0.21 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 1slh s LEU 114 Cb -0.03 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1slh s LEU 114 CO 0.00 -0.01 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.25 1slh s LEU 115 N 1.44 3.28 -0.08 -0.68 1.02 -0.12 -1.02 118.68 122.52 1slh s LEU 115 Ca 0.05 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.86 1slh s LEU 115 Cb -0.15 -1.96 0.01 0.00 0.02 0.00 0.00 46.19 44.11 1slh s LEU 115 CO 0.03 0.11 -0.18 -0.69 0.02 0.00 0.00 176.35 175.63 1slh s VAL 116 N -1.62 1.58 0.11 -1.59 1.01 -1.26 -0.69 120.40 117.95 1slh s VAL 116 Ca 0.26 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1slh s VAL 116 Cb -0.10 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1slh s VAL 116 CO 0.18 0.45 0.00 -1.10 0.00 0.00 0.00 175.10 174.64 1slh s GLN 117 N 0.44 0.86 0.47 2.72 -0.21 -0.48 -4.96 119.66 118.50 1slh s GLN 117 Ca -0.15 -1.38 -0.12 0.00 0.02 0.00 0.00 55.36 53.72 1slh s GLN 117 Cb -0.16 0.07 -0.07 0.00 1.00 0.00 0.00 33.01 33.85 1slh s GLN 117 CO 0.06 -0.16 0.88 1.03 -2.12 0.00 0.00 175.29 174.98 1slh s ARG 118 N -3.96 3.81 0.04 2.91 0.52 -1.26 -0.44 118.95 120.57 1slh s ARG 118 Ca 0.18 0.66 0.03 0.00 -0.52 0.00 0.00 55.73 56.07 1slh s ARG 118 Cb 0.07 -2.27 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 1slh s ARG 118 CO -0.02 -0.18 -0.09 0.54 0.02 0.00 0.00 175.30 175.57 1slh s VAL 119 N -2.57 0.66 -0.46 3.52 0.11 0.11 -4.76 120.40 117.02 1slh s VAL 119 Ca 0.54 -0.94 -0.21 0.00 -2.93 0.00 0.00 61.98 58.44 1slh s VAL 119 Cb -0.10 -0.67 0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1slh s VAL 119 CO 0.34 -0.23 0.69 -1.61 -3.33 0.00 0.00 175.10 170.96 1slh s GLU 120 N -1.28 3.28 -1.52 1.54 0.41 -1.26 -4.68 118.70 115.20 1slh s GLU 120 Ca -0.05 -0.38 -0.13 0.00 -0.41 0.00 0.00 54.97 54.00 1slh s GLU 120 Cb -0.08 -3.97 -0.01 0.00 -1.78 0.00 0.00 34.13 28.29 1slh s GLU 120 CO 0.01 -1.09 2.49 1.28 -0.49 0.00 0.00 175.26 177.46 1slh n LEU 121 N 6.42 7.54 -4.58 1.80 4.77 -1.26 -4.93 117.00 126.76 1slh n LEU 121 Ca -0.01 -4.22 -0.33 0.00 -0.03 0.00 0.00 56.01 51.42 1slh n LEU 121 Cb 0.48 -1.62 0.14 0.00 -2.33 0.00 0.00 43.42 40.08 1slh n LEU 121 CO 0.55 1.45 0.42 1.33 -1.33 0.00 0.00 177.39 179.82 1slh n VAL 122 N 4.56 0.67 -3.89 4.08 0.24 -1.26 -4.99 118.33 117.73 1slh n VAL 122 Ca 0.62 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.34 62.42 1slh n VAL 122 Cb 0.33 -0.92 -0.13 0.00 -1.47 0.00 0.00 33.84 31.65 1slh n VAL 122 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1slh s GLU 123 N -4.05 3.50 0.05 7.34 2.12 -1.26 -5.07 118.70 121.34 1slh s GLU 123 Ca 0.65 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 1slh s GLU 123 Cb -0.25 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1slh s GLU 123 CO 0.59 -0.16 1.04 -0.51 -0.54 0.00 0.00 175.26 175.68 1slh s LEU 124 N 1.44 4.40 -0.33 2.70 1.02 -1.26 -5.01 118.68 121.64 1slh s LEU 124 Ca 0.05 1.81 0.01 0.00 0.02 0.00 0.00 54.13 56.02 1slh s LEU 124 Cb -0.15 -3.58 0.10 0.00 0.02 0.00 0.00 46.19 42.59 1slh s LEU 124 CO -0.00 -0.27 0.10 -0.69 0.02 0.00 0.00 176.35 175.50 1slh s VAL 125 N 0.74 1.31 0.48 -1.59 1.01 -1.26 -5.12 120.40 115.97 1slh s VAL 125 Ca 0.53 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.51 1slh s VAL 125 Cb -0.24 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1slh s VAL 125 CO 0.29 -0.67 1.35 -0.70 0.00 0.00 0.00 175.10 175.37 1slh s GLU 126 N 1.31 3.54 0.14 2.72 2.12 -1.26 -5.03 118.70 122.24 1slh s GLU 126 Ca 0.11 2.23 -0.00 0.00 0.36 0.00 0.00 54.97 57.67 1slh s GLU 126 Cb -0.18 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 1slh s GLU 126 CO -0.19 -0.87 0.04 0.14 -0.54 0.00 0.00 175.26 173.84 1slh s VAL 127 N -1.29 0.28 -0.11 3.70 -7.23 -1.26 -5.06 120.40 109.43 1slh s VAL 127 Ca 0.64 -1.93 -0.24 0.00 -1.81 0.00 0.00 61.98 58.65 1slh s VAL 127 Cb -0.40 -2.07 -0.27 0.00 0.56 0.00 0.00 36.38 34.20 1slh s VAL 127 CO 0.49 -0.46 0.72 0.77 -0.31 0.00 0.00 175.10 176.31 1slh h SER 128 N 2.81 0.21 -5.08 4.85 4.64 -2.01 -3.48 113.55 115.50 1slh h SER 128 Ca -0.36 -0.91 -0.12 0.00 -0.47 0.00 0.00 61.79 59.94 1slh h SER 128 Cb 1.20 -0.07 -0.18 0.00 -0.31 0.00 0.00 62.40 63.05 1slh h SER 128 CO 0.60 1.28 -0.47 -0.94 -0.87 0.00 0.00 176.83 176.43 1slh s SER 129 N -6.66 0.12 0.22 4.97 1.04 -1.26 -5.06 113.70 107.07 1slh s SER 129 Ca -0.18 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 1slh s SER 129 Cb 0.00 0.25 0.20 0.00 0.10 0.00 0.00 66.02 66.57 1slh s SER 129 CO 0.74 -0.52 1.67 -0.26 0.98 0.00 0.00 173.24 175.84 1slh h PHE 130 N 3.60 0.93 0.32 5.02 0.05 -1.93 -2.55 116.94 122.39 1slh h PHE 130 Ca -0.32 -0.18 -0.00 0.00 3.82 0.00 0.00 57.97 61.29 1slh h PHE 130 Cb 1.19 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 38.88 1slh h PHE 130 CO 0.53 0.91 -0.30 -0.44 -0.18 0.00 0.00 178.31 178.83 1slh h ASP 131 N 0.76 -0.79 0.07 2.17 3.32 -1.95 0.17 116.42 120.17 1slh h ASP 131 Ca 0.12 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.26 1slh h ASP 131 Cb 0.62 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.39 1slh h ASP 131 CO 0.04 -0.43 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.29 1slh h GLU 132 N -0.64 -0.68 -1.00 3.56 5.08 -1.95 -0.64 114.58 118.31 1slh h GLU 132 Ca -0.02 0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.60 1slh h GLU 132 Cb 0.58 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 1slh h GLU 132 CO -0.04 -0.45 0.61 0.00 -1.00 0.00 0.00 179.01 178.13 1slh h ALA 133 N -0.54 1.77 0.00 3.43 0.00 -1.40 -3.46 119.26 119.08 1slh h ALA 133 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1slh h ALA 133 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1slh h ALA 133 CO -0.31 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.17 1slh n GLY 134 N -1.34 1.72 2.62 0.00 0.00 -0.22 -5.10 105.19 102.87 1slh n GLY 134 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1slh n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1slh s LEU 135 N 0.00 2.81 0.00 0.99 1.43 0.42 -5.01 118.68 119.33 1slh s LEU 135 Ca 0.00 -3.31 0.02 0.00 -1.03 0.00 0.00 54.13 49.81 1slh s LEU 135 Cb 0.00 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.29 1slh s LEU 135 CO 0.00 -0.15 0.56 0.00 0.23 0.00 0.00 176.35 176.99