#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h n GLN 14 N 0.00 0.00 -2.75 0.00 6.02 -1.26 -5.14 117.38 114.26 1s1h n GLN 14 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1s1h n GLN 14 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1s1h n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s1h n LEU 15 N 0.00 -5.93 0.17 1.08 4.77 -1.26 -4.94 117.00 110.90 1s1h n LEU 15 Ca 0.00 1.87 0.05 0.00 -0.03 0.00 0.00 56.01 57.90 1s1h n LEU 15 Cb 0.00 -2.85 0.24 0.00 -2.33 0.00 0.00 43.42 38.48 1s1h n LEU 15 CO 0.00 -3.62 0.62 -0.07 -1.33 0.00 0.00 177.39 172.98 1s1h h LEU 16 N 4.22 0.00 -0.26 2.23 3.38 -2.00 -3.33 115.31 119.54 1s1h h LEU 16 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1s1h h LEU 16 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1s1h h LEU 16 CO 0.02 0.41 0.01 0.18 0.09 0.00 0.00 178.44 179.15 1s1h n LEU 17 N -3.41 0.10 0.15 1.67 7.99 -1.26 -3.22 117.00 119.03 1s1h n LEU 17 Ca 0.01 0.54 0.08 0.00 -0.01 0.00 0.00 56.01 56.62 1s1h n LEU 17 Cb 0.58 -0.55 0.42 0.00 -0.11 0.00 0.00 43.42 43.76 1s1h n LEU 17 CO 0.38 -0.58 0.79 0.00 -1.51 0.00 0.00 177.39 176.47 1s1h n ALA 18 N -1.54 0.79 -0.04 -1.18 0.00 -1.25 -2.94 120.51 114.34 1s1h n ALA 18 Ca -0.00 0.14 0.25 0.00 0.00 0.00 0.00 53.44 53.83 1s1h n ALA 18 Cb 0.02 -0.99 0.70 0.00 0.00 0.00 0.00 19.45 19.17 1s1h n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s1h h ALA 19 N 1.52 2.47 0.41 0.00 0.00 -1.90 -0.30 119.26 121.46 1s1h h ALA 19 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1s1h h ALA 19 Cb 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1s1h h ALA 19 CO 0.00 -0.99 -0.39 -0.97 0.00 0.00 0.00 179.25 176.90 1s1h h ASN 20 N 0.00 -1.06 0.00 0.00 -0.00 -1.88 -3.40 115.58 109.24 1s1h h ASN 20 Ca 0.32 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 1s1h h ASN 20 Cb 1.60 0.35 0.00 0.00 -0.00 0.00 0.00 38.32 40.28 1s1h h ASN 20 CO -0.00 -0.55 0.00 0.35 -0.00 0.00 0.00 177.43 177.23 1s1h n THR 21 N -5.49 0.00 0.00 -3.57 -2.24 -0.13 -4.86 114.28 97.99 1s1h n THR 21 Ca -0.10 0.44 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1s1h n THR 21 Cb 0.39 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1s1h n THR 21 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1s1h n HIS 22 N -1.78 0.00 0.00 4.78 8.25 -1.22 -4.90 115.22 120.35 1s1h n HIS 22 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1s1h n HIS 22 Cb 0.00 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1s1h n HIS 22 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1s1h n LEU 23 N -0.89 0.00 -4.62 2.41 4.77 -1.26 -4.16 117.00 113.25 1s1h n LEU 23 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1s1h n LEU 23 Cb 0.00 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 1s1h n LEU 23 CO 0.00 0.00 0.61 -0.83 -1.33 0.00 0.00 177.39 175.84 1s1h s GLY 24 N 0.00 1.56 0.02 -0.72 0.00 -1.26 -3.42 107.32 103.50 1s1h s GLY 24 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.31 1s1h s GLY 24 CO 0.00 0.34 0.22 0.00 0.00 0.00 0.00 173.10 173.66 1s1h s ALA 25 N -2.82 -0.48 -0.23 3.20 0.00 -0.84 -4.77 121.76 115.82 1s1h s ALA 25 Ca 0.66 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1s1h s ALA 25 Cb -0.20 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1s1h s ALA 25 CO 0.60 -0.30 0.11 0.50 0.00 0.00 0.00 175.76 176.66 1s1h s ARG 26 N -1.97 3.94 0.00 0.00 3.52 -1.26 -3.14 118.95 120.05 1s1h s ARG 26 Ca -0.10 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1s1h s ARG 26 Cb -0.04 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.96 1s1h s ARG 26 CO -0.00 0.06 0.00 -1.71 -0.81 0.00 0.00 175.30 172.84 1s1h n ASN 27 N 4.23 0.00 -3.57 -2.12 4.05 -1.26 -4.99 115.26 111.60 1s1h n ASN 27 Ca -0.16 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 54.82 1s1h n ASN 27 Cb 0.52 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.51 1s1h n ASN 27 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1s1h s VAL 28 N -3.21 0.00 -0.21 3.44 0.11 -1.26 -4.80 120.40 114.47 1s1h s VAL 28 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1s1h s VAL 28 Cb 0.00 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.95 1s1h s VAL 28 CO 0.00 0.00 0.41 -1.58 -3.33 0.00 0.00 175.10 170.60 1s1h s GLN 29 N -2.55 0.33 0.44 1.54 2.00 -0.71 -4.67 119.66 116.03 1s1h s GLN 29 Ca 0.08 0.96 0.12 0.00 -2.00 0.00 0.00 55.36 54.52 1s1h s GLN 29 Cb -0.01 0.21 1.02 0.00 0.80 0.00 0.00 33.01 35.03 1s1h s GLN 29 CO -0.06 -0.32 2.04 0.28 -0.50 0.00 0.00 175.29 176.74 1s1h h VAL 30 N 6.17 0.99 -0.76 1.34 2.07 -1.94 -1.14 116.25 122.98 1s1h h VAL 30 Ca -0.16 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1s1h h VAL 30 Cb 1.12 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1s1h h VAL 30 CO 0.14 0.07 0.42 0.45 0.02 0.00 0.00 177.57 178.68 1s1h h HIS 31 N 0.38 1.02 -0.08 1.57 3.86 -1.93 -0.78 115.15 119.20 1s1h h HIS 31 Ca 0.18 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1s1h h HIS 31 Cb 0.23 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1s1h h HIS 31 CO -0.00 0.70 0.05 0.94 0.86 0.00 0.00 177.93 180.49 1s1h n GLN 32 N -4.36 1.10 -0.25 2.45 -0.06 -0.43 -4.14 117.38 111.70 1s1h n GLN 32 Ca 0.08 -0.24 -0.07 0.00 -2.00 0.00 0.00 57.00 54.76 1s1h n GLN 32 Cb 0.09 -1.10 0.04 0.00 -4.06 0.00 0.00 30.24 25.22 1s1h n GLN 32 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1s1h h GLU 33 N 0.08 1.09 -0.19 3.69 4.81 -1.27 -2.65 114.58 120.14 1s1h h GLU 33 Ca 0.05 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1s1h h GLU 33 Cb 1.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1s1h h GLU 33 CO 0.09 0.95 -0.01 -1.35 -0.73 0.00 0.00 179.01 177.96 1s1h h PRO 34 N 1.03 0.28 0.00 0.92 0.11 -1.84 -2.16 132.00 130.34 1s1h h PRO 34 Ca 0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 1s1h h PRO 34 Cb 0.33 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 1s1h h PRO 34 CO -0.00 0.32 -0.12 1.88 -0.21 0.00 0.00 178.00 179.87 1s1h h TYR 35 N 0.28 0.00 -3.43 0.65 0.05 -1.80 -3.44 116.97 109.27 1s1h h TYR 35 Ca 0.07 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.30 1s1h h TYR 35 Cb 0.21 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1s1h h TYR 35 CO 0.00 0.12 0.25 0.08 -1.05 0.00 0.00 178.16 177.56 1s1h s VAL 36 N -3.59 4.81 -0.10 -2.88 1.01 -0.81 -2.21 120.40 116.63 1s1h s VAL 36 Ca 0.02 1.80 -0.27 0.00 0.00 0.00 0.00 61.98 63.53 1s1h s VAL 36 Cb 0.09 -4.20 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 1s1h s VAL 36 CO 0.60 0.26 0.91 0.15 0.00 0.00 0.00 175.10 177.03 1s1h h PHE 37 N 6.27 -0.01 -1.84 5.22 3.57 0.23 -3.43 116.94 126.94 1s1h h PHE 37 Ca -0.42 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.36 1s1h h PHE 37 Cb 1.21 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 1s1h h PHE 37 CO 0.66 0.77 0.72 -1.71 -2.23 0.00 0.00 178.31 176.51 1s1h n ASN 38 N -4.71 -0.84 -4.67 0.41 5.15 -1.07 -4.97 115.26 104.56 1s1h n ASN 38 Ca -0.09 -1.11 -0.32 0.00 -0.60 0.00 0.00 54.58 52.46 1s1h n ASN 38 Cb 0.38 1.29 -0.09 0.00 -0.53 0.00 0.00 39.78 40.83 1s1h n ASN 38 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s1h s ALA 39 N -1.75 3.24 0.31 5.20 0.00 -1.26 0.85 121.76 128.34 1s1h s ALA 39 Ca 0.24 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1s1h s ALA 39 Cb -0.00 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1s1h s ALA 39 CO -0.01 0.65 0.19 0.54 0.00 0.00 0.00 175.76 177.13 1s1h n ARG 40 N 1.35 1.07 -1.08 0.00 1.74 0.12 -4.90 116.66 114.96 1s1h n ARG 40 Ca -0.14 -1.98 -0.30 0.00 -0.77 0.00 0.00 57.85 54.66 1s1h n ARG 40 Cb 0.53 0.27 0.14 0.00 -1.02 0.00 0.00 32.46 32.37 1s1h n ARG 40 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1s1h s PRO 41 N -3.24 1.38 0.00 5.56 0.02 -1.26 -1.78 135.00 135.68 1s1h s PRO 41 Ca 0.15 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.24 1s1h s PRO 41 Cb -0.01 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1s1h s PRO 41 CO 0.09 -2.22 0.00 -0.25 -0.33 0.00 0.00 177.00 174.29 1s1h n ASP 42 N -3.91 -1.54 -0.15 2.53 8.00 -1.26 -3.17 116.55 117.07 1s1h n ASP 42 Ca 0.08 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.56 1s1h n ASP 42 Cb 0.54 -1.11 -0.01 0.00 -0.02 0.00 0.00 41.12 40.52 1s1h n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s1h n GLY 43 N -1.86 0.40 3.74 0.44 0.00 -0.73 -4.94 105.19 102.22 1s1h n GLY 43 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1s1h n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1h s VAL 44 N -1.61 4.24 0.56 1.61 -7.23 -1.19 -4.73 120.40 112.06 1s1h s VAL 44 Ca 0.00 1.94 -0.16 0.00 -1.81 0.00 0.00 61.98 61.96 1s1h s VAL 44 Cb 0.00 -4.24 -0.06 0.00 0.56 0.00 0.00 36.38 32.64 1s1h s VAL 44 CO 0.00 0.34 1.02 -1.00 -0.31 0.00 0.00 175.10 175.15 1s1h s HIS 45 N -0.28 3.25 -0.09 2.82 3.76 -1.19 0.13 115.29 123.68 1s1h s HIS 45 Ca 0.47 1.48 0.04 0.00 -0.15 0.00 0.00 55.06 56.89 1s1h s HIS 45 Cb -0.26 -2.89 -0.00 0.00 1.11 0.00 0.00 32.58 30.55 1s1h s HIS 45 CO 0.32 -0.74 -0.24 0.54 -0.85 0.00 0.00 174.74 173.77 1s1h s VAL 46 N -2.59 2.07 0.17 -0.90 0.11 0.25 -1.98 120.40 117.52 1s1h s VAL 46 Ca 0.61 -1.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.36 1s1h s VAL 46 Cb -0.13 -1.78 -0.08 0.00 -1.53 0.00 0.00 36.38 32.87 1s1h s VAL 46 CO 0.36 0.56 0.85 0.27 -3.33 0.00 0.00 175.10 173.81 1s1h s ILE 47 N 0.27 4.32 -0.34 7.04 -4.36 -1.26 0.88 121.20 127.75 1s1h s ILE 47 Ca -0.17 1.87 -0.26 0.00 -0.26 0.00 0.00 60.65 61.83 1s1h s ILE 47 Cb -0.17 -4.22 0.01 0.00 1.25 0.00 0.00 42.46 39.32 1s1h s ILE 47 CO 0.08 0.47 0.92 0.54 0.24 0.00 0.00 174.94 177.20 1s1h s ASN 48 N -0.90 6.74 0.44 4.36 2.20 -0.94 -4.32 114.94 122.53 1s1h s ASN 48 Ca 0.39 0.73 0.18 0.00 -0.94 0.00 0.00 52.86 53.22 1s1h s ASN 48 Cb -0.24 -2.47 1.04 0.00 -2.00 0.00 0.00 41.25 37.58 1s1h s ASN 48 CO 0.28 -0.79 1.95 0.58 -2.94 0.00 0.00 177.10 176.18 1s1h h VAL 49 N 5.73 0.97 -0.86 3.54 2.07 -1.92 -2.01 116.25 123.77 1s1h h VAL 49 Ca -0.23 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1s1h h VAL 49 Cb 1.08 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 1s1h h VAL 49 CO 0.96 0.23 0.54 1.23 0.02 0.00 0.00 177.57 180.55 1s1h h GLY 50 N 0.92 1.27 1.37 2.17 0.00 -1.98 0.81 103.07 107.63 1s1h h GLY 50 Ca -0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 1s1h h GLY 50 CO 0.03 0.31 -0.53 0.50 0.00 0.00 0.00 176.54 176.85 1s1h h LYS 51 N 1.02 0.66 -0.96 4.80 1.57 -1.79 -2.49 116.57 119.38 1s1h h LYS 51 Ca 0.36 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1s1h h LYS 51 Cb 0.08 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1s1h h LYS 51 CO -0.14 1.03 0.63 1.15 -0.57 0.00 0.00 179.45 181.54 1s1h h THR 52 N 0.51 1.12 -0.22 -0.16 2.02 -0.01 0.94 112.91 117.11 1s1h h THR 52 Ca 0.01 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1s1h h THR 52 Cb 1.09 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1s1h h THR 52 CO 0.11 0.21 0.05 -0.25 0.37 0.00 0.00 175.52 176.01 1s1h h TRP 53 N 1.16 0.38 -0.73 3.16 7.01 0.60 -0.81 115.95 126.72 1s1h h TRP 53 Ca 0.40 -0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.41 1s1h h TRP 53 Cb 0.10 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 26.99 1s1h h TRP 53 CO -0.00 0.47 0.43 0.93 -2.79 0.00 0.00 178.44 177.47 1s1h h GLU 54 N 0.18 0.76 -0.55 2.65 5.08 -0.56 0.36 114.58 122.49 1s1h h GLU 54 Ca 0.07 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1s1h h GLU 54 Cb 0.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1s1h h GLU 54 CO 0.00 0.50 0.01 0.87 -1.00 0.00 0.00 179.01 179.40 1s1h h LYS 55 N 0.78 0.97 -0.77 2.33 1.79 -0.72 -2.74 116.57 118.21 1s1h h LYS 55 Ca 0.32 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1s1h h LYS 55 Cb 0.18 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1s1h h LYS 55 CO -0.18 0.97 0.28 -0.07 -1.08 0.00 0.00 179.45 179.37 1s1h h LEU 56 N 0.85 1.09 -0.30 2.94 -0.00 0.51 0.52 115.31 120.92 1s1h h LEU 56 Ca 0.16 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1s1h h LEU 56 Cb 0.52 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1s1h h LEU 56 CO 0.03 0.98 0.18 0.58 -0.00 0.00 0.00 178.44 180.20 1s1h h VAL 57 N 1.13 1.11 -0.45 1.22 2.07 -0.97 0.74 116.25 121.10 1s1h h VAL 57 Ca 0.25 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1s1h h VAL 57 Cb 0.25 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1s1h h VAL 57 CO -0.02 0.11 0.11 0.25 0.02 0.00 0.00 177.57 178.05 1s1h h LEU 58 N 0.38 0.69 0.30 2.57 5.85 -1.16 -1.54 115.31 122.39 1s1h h LEU 58 Ca 0.11 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1s1h h LEU 58 Cb 0.03 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1s1h h LEU 58 CO -0.02 0.74 -0.14 0.00 -0.34 0.00 0.00 178.44 178.67 1s1h h ALA 59 N 0.97 -0.40 -0.71 1.25 0.00 0.61 -2.66 119.26 118.32 1s1h h ALA 59 Ca 0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1s1h h ALA 59 Cb 0.32 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1s1h h ALA 59 CO 0.00 -0.65 0.35 0.00 0.00 0.00 0.00 179.25 178.95 1s1h h ALA 60 N 0.10 1.28 -0.92 0.00 0.00 0.51 0.78 119.26 121.01 1s1h h ALA 60 Ca -0.04 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1s1h h ALA 60 Cb 0.41 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1s1h h ALA 60 CO 0.07 0.56 0.61 -0.09 0.00 0.00 0.00 179.25 180.40 1s1h h ARG 61 N 1.00 1.17 -0.59 0.00 2.43 -1.13 0.72 114.38 117.98 1s1h h ARG 61 Ca 0.25 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1s1h h ARG 61 Cb 0.09 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1s1h h ARG 61 CO -0.03 0.78 0.27 0.82 -1.51 0.00 0.00 179.97 180.29 1s1h h ILE 62 N 1.21 1.20 -0.43 1.20 1.08 -0.52 -2.40 117.51 118.85 1s1h h ILE 62 Ca 0.35 -0.58 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1s1h h ILE 62 Cb -0.07 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1s1h h ILE 62 CO -0.09 0.24 0.10 0.40 -0.69 0.00 0.00 178.15 178.10 1s1h h ILE 63 N 0.84 1.23 -0.54 -0.67 2.04 0.11 -2.57 117.51 117.95 1s1h h ILE 63 Ca 0.21 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1s1h h ILE 63 Cb 0.11 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1s1h h ILE 63 CO -0.02 0.29 0.35 0.00 0.00 0.00 0.00 178.15 178.76 1s1h h ALA 64 N 0.96 1.59 -0.16 1.87 0.00 -0.35 -2.11 119.26 121.07 1s1h h ALA 64 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1s1h h ALA 64 Cb 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1s1h h ALA 64 CO 0.00 0.37 0.07 0.00 0.00 0.00 0.00 179.25 179.70 1s1h h ALA 65 N 1.65 0.20 -0.18 0.00 0.00 -1.25 -3.29 119.26 116.39 1s1h h ALA 65 Ca 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1s1h h ALA 65 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1s1h h ALA 65 CO -0.04 -0.24 0.01 0.82 0.00 0.00 0.00 179.25 179.80 1s1h h ILE 66 N 0.12 1.25 0.00 0.00 2.04 -1.12 -2.98 117.51 116.83 1s1h h ILE 66 Ca 0.05 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1s1h h ILE 66 Cb 0.12 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1s1h h ILE 66 CO -0.01 0.25 0.09 -2.65 0.00 0.00 0.00 178.15 175.83 1s1h n PRO 67 N -4.73 0.00 0.00 2.37 -0.02 -1.04 0.66 135.00 132.24 1s1h n PRO 67 Ca -0.05 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1s1h n PRO 67 Cb 0.21 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1s1h n PRO 67 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s1h n ASN 68 N -1.11 0.00 -0.23 2.55 5.15 -1.13 -4.29 115.26 116.21 1s1h n ASN 68 Ca 0.00 0.78 0.08 0.00 -0.60 0.00 0.00 54.58 54.84 1s1h n ASN 68 Cb 0.09 -0.31 -0.04 0.00 -0.53 0.00 0.00 39.78 38.99 1s1h n ASN 68 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1s1h n PRO 69 N -1.43 1.67 -2.47 1.20 -0.04 -1.21 -5.03 135.00 127.69 1s1h n PRO 69 Ca 0.00 -0.49 -0.29 0.00 -0.04 0.00 0.00 63.50 62.67 1s1h n PRO 69 Cb 0.00 -1.28 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 1s1h n PRO 69 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1s1h s GLU 70 N -2.19 3.65 0.16 0.54 2.02 0.21 -5.07 118.70 118.03 1s1h s GLU 70 Ca 0.11 0.48 0.06 0.00 0.02 0.00 0.00 54.97 55.63 1s1h s GLU 70 Cb 0.13 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1s1h s GLU 70 CO 0.52 -0.26 0.06 0.34 0.02 0.00 0.00 175.26 175.94 1s1h s ASP 71 N -3.80 5.14 -0.08 -0.19 2.15 -1.26 -4.27 116.67 114.35 1s1h s ASP 71 Ca 0.51 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.24 1s1h s ASP 71 Cb -0.10 -1.23 0.02 0.00 -0.30 0.00 0.00 42.92 41.31 1s1h s ASP 71 CO 0.43 0.09 -0.06 0.54 -0.17 0.00 0.00 175.17 175.99 1s1h s VAL 72 N -1.70 0.83 -0.21 1.11 0.11 -1.26 -2.47 120.40 116.81 1s1h s VAL 72 Ca 0.29 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.92 1s1h s VAL 72 Cb -0.10 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1s1h s VAL 72 CO 0.21 0.32 0.63 -0.69 -3.33 0.00 0.00 175.10 172.24 1s1h s VAL 73 N 1.41 5.01 -0.06 2.04 1.01 -0.90 -4.13 120.40 124.78 1s1h s VAL 73 Ca -0.02 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 1s1h s VAL 73 Cb -0.13 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 1s1h s VAL 73 CO -0.04 0.09 0.42 0.00 0.00 0.00 0.00 175.10 175.57 1s1h s ALA 74 N 2.07 3.61 -0.12 5.51 0.00 -0.68 -1.07 121.76 131.07 1s1h s ALA 74 Ca 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1s1h s ALA 74 Cb -0.16 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1s1h s ALA 74 CO 0.10 0.27 -0.12 -1.50 0.00 0.00 0.00 175.76 174.50 1s1h s ILE 75 N -0.30 1.34 -0.31 0.00 1.10 0.03 -0.95 121.20 122.12 1s1h s ILE 75 Ca 0.24 -0.51 0.01 0.00 -0.51 0.00 0.00 60.65 59.88 1s1h s ILE 75 Cb -0.16 -1.28 0.15 0.00 0.15 0.00 0.00 42.46 41.33 1s1h s ILE 75 CO 0.11 0.42 0.36 -0.55 -2.11 0.00 0.00 174.94 173.17 1s1h s SER 76 N 1.40 1.06 0.10 4.50 0.15 -1.04 -1.62 113.70 118.25 1s1h s SER 76 Ca 0.01 -0.82 0.14 0.00 0.70 0.00 0.00 55.95 55.98 1s1h s SER 76 Cb -0.13 0.75 -0.12 0.00 -1.71 0.00 0.00 66.02 64.81 1s1h s SER 76 CO -0.07 -0.34 1.00 0.28 1.20 0.00 0.00 173.24 175.30 1s1h h SER 77 N 7.93 0.00 -3.40 5.45 0.02 -1.74 -3.40 113.55 118.41 1s1h h SER 77 Ca -0.07 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.31 1s1h h SER 77 Cb 1.09 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.78 1s1h h SER 77 CO 0.28 0.70 0.14 -1.14 -1.14 0.00 0.00 176.83 175.67 1s1h n ARG 78 N -3.06 1.11 -0.11 3.45 0.63 -1.26 -4.71 116.66 112.71 1s1h n ARG 78 Ca -0.07 0.41 -0.12 0.00 -0.92 0.00 0.00 57.85 57.16 1s1h n ARG 78 Cb 0.87 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 31.62 1s1h n ARG 78 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1s1h h THR 79 N 0.93 1.28 -0.87 5.15 1.35 -1.97 -0.66 112.91 118.12 1s1h h THR 79 Ca -0.47 -1.15 -0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1s1h h THR 79 Cb 1.35 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 69.09 1s1h h THR 79 CO 0.53 0.37 0.53 -0.26 -0.25 0.00 0.00 175.52 176.44 1s1h h PHE 80 N 0.41 1.14 0.00 4.73 -1.00 -1.97 -2.32 116.94 117.94 1s1h h PHE 80 Ca 0.08 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.77 1s1h h PHE 80 Cb 0.59 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1s1h h PHE 80 CO 0.05 0.76 -0.50 0.78 -1.61 0.00 0.00 178.31 177.79 1s1h h GLY 81 N 1.21 0.00 0.16 -1.45 0.00 -1.91 -3.42 103.07 97.66 1s1h h GLY 81 Ca 0.31 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.75 1s1h h GLY 81 CO -0.06 0.00 0.04 -1.61 0.00 0.00 0.00 176.54 174.91 1s1h h GLN 82 N 0.00 0.15 -0.42 4.80 4.15 -0.52 -0.22 115.11 123.06 1s1h h GLN 82 Ca -0.02 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1s1h h GLN 82 Cb 1.33 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 1s1h h GLN 82 CO 0.05 0.10 0.08 -0.09 -1.93 0.00 0.00 178.83 177.04 1s1h h ARG 83 N 0.15 0.68 -0.77 1.69 2.43 -1.82 -3.09 114.38 113.65 1s1h h ARG 83 Ca 0.28 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1s1h h ARG 83 Cb 0.42 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1s1h h ARG 83 CO -0.42 0.71 0.47 0.00 -1.51 0.00 0.00 179.97 179.22 1s1h h ALA 84 N 0.94 0.98 -0.25 2.80 0.00 -1.38 -1.64 119.26 120.71 1s1h h ALA 84 Ca 0.13 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1s1h h ALA 84 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s1h h ALA 84 CO 0.01 0.44 0.17 -0.24 0.00 0.00 0.00 179.25 179.63 1s1h h VAL 85 N 1.05 0.93 -0.08 0.00 3.04 -1.15 0.63 116.25 120.67 1s1h h VAL 85 Ca 0.28 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.88 1s1h h VAL 85 Cb -0.05 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1s1h h VAL 85 CO -0.05 0.02 -0.14 0.17 -1.01 0.00 0.00 177.57 176.55 1s1h h LEU 86 N 0.10 0.27 0.55 3.16 8.10 -1.35 -2.62 115.31 123.52 1s1h h LEU 86 Ca 0.11 -0.54 -0.03 0.00 0.11 0.00 0.00 57.88 57.53 1s1h h LEU 86 Cb 0.33 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1s1h h LEU 86 CO -0.01 0.76 -0.27 0.11 -4.11 0.00 0.00 178.44 174.92 1s1h h LYS 87 N -0.21 -0.72 -0.64 0.17 1.79 -0.75 0.42 116.57 116.63 1s1h h LYS 87 Ca 0.01 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1s1h h LYS 87 Cb 0.71 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 1s1h h LYS 87 CO 0.03 -0.44 0.33 0.74 -1.08 0.00 0.00 179.45 179.03 1s1h h PHE 88 N -0.84 0.88 -0.40 -1.35 0.04 -1.43 0.31 116.94 114.14 1s1h h PHE 88 Ca -0.08 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 1s1h h PHE 88 Cb 0.61 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1s1h h PHE 88 CO -0.02 0.63 0.03 0.00 -0.60 0.00 0.00 178.31 178.35 1s1h h ALA 89 N 1.47 0.54 -0.13 2.45 0.00 -1.03 -2.72 119.26 119.83 1s1h h ALA 89 Ca 0.23 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1s1h h ALA 89 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1s1h h ALA 89 CO -0.03 0.29 -0.32 0.00 0.00 0.00 0.00 179.25 179.19 1s1h h ALA 90 N 0.90 1.22 -0.11 0.00 0.00 0.94 -2.58 119.26 119.64 1s1h h ALA 90 Ca 0.12 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1s1h h ALA 90 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1s1h h ALA 90 CO 0.01 0.52 0.11 1.25 0.00 0.00 0.00 179.25 181.15 1s1h h HIS 91 N 0.23 0.00 -1.80 0.00 6.17 -0.11 -3.41 115.15 116.23 1s1h h HIS 91 Ca 0.03 0.00 -0.59 0.00 0.71 0.00 0.00 60.37 60.52 1s1h h HIS 91 Cb 0.68 0.00 -0.13 0.00 2.52 0.00 0.00 27.41 30.47 1s1h h HIS 91 CO 0.01 0.00 -0.58 0.95 0.71 0.00 0.00 177.93 179.02 1s1h s THR 92 N -4.70 1.55 0.30 6.26 -4.23 -0.97 -5.00 115.64 108.85 1s1h s THR 92 Ca -0.05 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.82 1s1h s THR 92 Cb 0.16 -2.75 0.37 0.00 1.34 0.00 0.00 72.50 71.61 1s1h s THR 92 CO 0.57 0.00 2.10 1.23 -0.54 0.00 0.00 174.62 177.98 1s1h h GLY 93 N 1.79 0.00 -2.31 3.99 0.00 -1.79 -3.45 103.07 101.29 1s1h h GLY 93 Ca -0.43 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.34 1s1h h GLY 93 CO 0.75 0.00 0.13 0.00 0.00 0.00 0.00 176.54 177.42 1s1h n ALA 94 N -1.98 -0.04 -2.72 3.60 0.00 -1.24 -5.02 120.51 113.11 1s1h n ALA 94 Ca -0.02 -0.12 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 1s1h n ALA 94 Cb 0.10 -2.12 -0.09 0.00 0.00 0.00 0.00 19.45 17.34 1s1h n ALA 94 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s1h s THR 95 N -1.69 4.49 0.44 0.00 -4.23 -1.26 -4.42 115.64 108.97 1s1h s THR 95 Ca 0.75 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1s1h s THR 95 Cb -0.37 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 1s1h s THR 95 CO 0.48 0.56 0.10 -2.16 -0.54 0.00 0.00 174.62 173.06 1s1h s PRO 96 N -1.05 2.12 -0.43 3.99 0.04 -1.26 -1.69 135.00 136.72 1s1h s PRO 96 Ca 0.15 -2.07 0.03 0.00 0.04 0.00 0.00 61.00 59.15 1s1h s PRO 96 Cb -0.11 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.77 1s1h s PRO 96 CO 0.04 -0.17 0.19 0.42 0.04 0.00 0.00 177.00 177.52 1s1h s ILE 97 N -2.71 2.01 -0.12 0.56 -1.09 -0.12 -4.91 121.20 114.82 1s1h s ILE 97 Ca 0.31 -2.67 -0.21 0.00 -2.23 0.00 0.00 60.65 55.85 1s1h s ILE 97 Cb 0.05 -2.43 -0.18 0.00 -1.58 0.00 0.00 42.46 38.32 1s1h s ILE 97 CO 0.17 -0.76 0.57 0.00 -1.23 0.00 0.00 174.94 173.69 1s1h h ALA 98 N 7.00 -0.01 0.05 9.38 0.00 -1.86 -2.75 119.26 131.06 1s1h h ALA 98 Ca -0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1s1h h ALA 98 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1s1h h ALA 98 CO 0.57 -0.02 -0.02 0.78 0.00 0.00 0.00 179.25 180.56 1s1h h GLY 99 N -0.99 -0.06 -5.96 0.00 0.00 -1.92 -3.36 103.07 90.79 1s1h h GLY 99 Ca -0.00 0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 1s1h h GLY 99 CO 0.00 -0.02 -0.41 0.50 0.00 0.00 0.00 176.54 176.61 1s1h s ARG 100 N -1.71 0.28 -0.51 4.80 3.00 -1.26 -4.75 118.95 118.79 1s1h s ARG 100 Ca -0.01 0.72 -0.28 0.00 0.00 0.00 0.00 55.73 56.16 1s1h s ARG 100 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 34.95 34.94 1s1h s ARG 100 CO 0.03 -0.19 1.44 0.12 0.00 0.00 0.00 175.30 176.69 1s1h s PHE 101 N 1.67 2.29 0.36 -0.53 5.36 -1.26 -4.94 117.98 120.94 1s1h s PHE 101 Ca -0.07 0.55 -0.27 0.00 -0.96 0.00 0.00 56.93 56.18 1s1h s PHE 101 Cb -0.10 -4.35 -0.10 0.00 -0.34 0.00 0.00 43.02 38.13 1s1h s PHE 101 CO -0.11 -2.01 1.31 0.95 -1.46 0.00 0.00 175.22 173.90 1s1h s THR 102 N 6.00 2.66 0.25 0.12 -4.23 -1.26 -4.91 115.64 114.28 1s1h s THR 102 Ca 0.56 0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 61.41 1s1h s THR 102 Cb -0.12 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.24 1s1h s THR 102 CO 0.27 0.13 1.28 -2.16 -0.54 0.00 0.00 174.62 173.60 1s1h s PRO 103 N -2.00 4.41 0.00 3.99 0.04 -1.26 -2.65 135.00 137.53 1s1h s PRO 103 Ca 0.52 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1s1h s PRO 103 Cb -0.39 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1s1h s PRO 103 CO 0.51 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.79 1s1h n GLY 104 N 1.71 0.45 0.08 0.56 0.00 -1.26 -4.88 105.19 101.85 1s1h n GLY 104 Ca 0.03 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 1s1h n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s1h h SER 105 N 0.00 0.13 0.04 1.61 4.64 -1.76 0.69 113.55 118.91 1s1h h SER 105 Ca 0.00 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1s1h h SER 105 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1s1h h SER 105 CO 0.00 0.21 -0.02 -0.26 -0.87 0.00 0.00 176.83 175.89 1s1h h PHE 106 N 0.04 -0.05 -0.08 4.77 -1.00 -1.92 -3.09 116.94 115.61 1s1h h PHE 106 Ca 0.03 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 1s1h h PHE 106 Cb 0.11 0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1s1h h PHE 106 CO -0.03 0.60 0.03 0.00 -1.61 0.00 0.00 178.31 177.31 1s1h h THR 107 N -0.85 1.14 -2.72 -1.55 1.03 -1.84 -2.62 112.91 105.49 1s1h h THR 107 Ca -0.01 -0.41 -0.71 0.00 -0.01 0.00 0.00 66.41 65.28 1s1h h THR 107 Cb 0.68 1.26 -0.35 0.00 -1.07 0.00 0.00 68.15 68.67 1s1h h THR 107 CO 0.01 0.12 0.11 -0.46 -0.01 0.00 0.00 175.52 175.29 1s1h n ASN 108 N -4.94 5.03 -0.08 0.00 6.94 0.24 -4.78 115.26 117.67 1s1h n ASN 108 Ca -0.06 -3.37 -0.05 0.00 -0.02 0.00 0.00 54.58 51.08 1s1h n ASN 108 Cb 0.11 -1.01 0.14 0.00 -2.36 0.00 0.00 39.78 36.66 1s1h n ASN 108 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1s1h h TYR 109 N 5.08 0.80 -0.88 -2.53 5.03 -1.37 -2.55 116.97 120.55 1s1h h TYR 109 Ca 0.19 -0.14 0.06 0.00 2.58 0.00 0.00 58.73 61.42 1s1h h TYR 109 Cb 0.67 -0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.68 1s1h h TYR 109 CO 0.85 0.81 0.55 0.97 -1.32 0.00 0.00 178.16 180.02 1s1h h ILE 110 N 0.66 1.06 0.26 1.81 -0.00 -1.86 -0.91 117.51 118.53 1s1h h ILE 110 Ca 0.11 -0.35 -0.01 0.00 -0.00 0.00 0.00 64.86 64.61 1s1h h ILE 110 Cb 0.58 -0.04 0.00 0.00 -0.00 0.00 0.00 36.82 37.36 1s1h h ILE 110 CO 0.04 0.19 -0.14 0.74 -0.00 0.00 0.00 178.15 178.98 1s1h h THR 111 N 1.02 0.72 -3.57 2.19 2.02 -1.81 -3.21 112.91 110.26 1s1h h THR 111 Ca 0.38 0.00 -0.77 0.00 0.77 0.00 0.00 66.41 66.79 1s1h h THR 111 Cb 0.14 0.72 -0.26 0.00 -1.74 0.00 0.00 68.15 67.01 1s1h h THR 111 CO -0.16 0.00 -0.05 -0.60 0.37 0.00 0.00 175.52 175.07 1s1h s ARG 112 N -6.13 3.30 0.57 6.66 6.06 -0.37 -5.03 118.95 124.00 1s1h s ARG 112 Ca -0.15 -2.22 -0.18 0.00 -2.50 0.00 0.00 55.73 50.67 1s1h s ARG 112 Cb 0.05 -4.31 -0.05 0.00 0.06 0.00 0.00 34.95 30.70 1s1h s ARG 112 CO 0.65 -1.29 1.12 -1.54 -2.50 0.00 0.00 175.30 171.73 1s1h s SER 113 N 2.48 5.64 0.00 -2.12 1.04 -1.06 -4.73 113.70 114.94 1s1h s SER 113 Ca 0.13 2.11 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1s1h s SER 113 Cb -0.17 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1s1h s SER 113 CO -0.05 -1.27 0.00 0.33 0.98 0.00 0.00 173.24 173.23 1s1h n PHE 114 N -1.55 0.00 -3.83 5.02 7.35 -1.26 -5.07 117.46 118.13 1s1h n PHE 114 Ca 0.11 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.46 1s1h n PHE 114 Cb 0.51 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.29 1s1h n PHE 114 CO 0.00 0.00 0.00 -1.59 -0.76 0.00 0.00 176.76 174.41 1s1h s LYS 115 N -1.67 3.51 0.29 -4.13 -2.85 -1.26 -4.95 119.74 108.68 1s1h s LYS 115 Ca 0.00 -0.18 -0.30 0.00 -1.00 0.00 0.00 55.97 54.50 1s1h s LYS 115 Cb 0.00 -3.09 -0.11 0.00 -2.06 0.00 0.00 37.83 32.57 1s1h s LYS 115 CO 0.00 0.67 1.56 -1.83 0.10 0.00 0.00 175.35 175.85 1s1h s GLU 116 N -1.78 4.14 0.71 1.78 -1.05 -1.26 -4.90 118.70 116.34 1s1h s GLU 116 Ca 0.27 2.53 -0.15 0.00 -0.15 0.00 0.00 54.97 57.47 1s1h s GLU 116 Cb -0.13 -3.03 0.03 0.00 -0.44 0.00 0.00 34.13 30.55 1s1h s GLU 116 CO 0.16 -0.59 1.15 -1.25 0.95 0.00 0.00 175.26 175.68 1s1h s PRO 117 N -0.57 2.41 0.22 -4.83 0.04 -1.26 -4.94 135.00 126.07 1s1h s PRO 117 Ca 0.62 1.54 0.10 0.00 0.04 0.00 0.00 61.00 63.30 1s1h s PRO 117 Cb -0.47 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.32 1s1h s PRO 117 CO 0.48 -1.58 1.48 0.00 0.04 0.00 0.00 177.00 177.42 1s1h h ARG 118 N -0.25 0.00 -3.38 4.56 2.47 -1.83 -3.48 114.38 112.47 1s1h h ARG 118 Ca -0.47 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.21 1s1h h ARG 118 Cb 1.27 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.53 1s1h h ARG 118 CO 0.51 0.76 0.06 -1.17 0.56 0.00 0.00 179.97 180.69 1s1h s LEU 119 N -7.18 0.19 -0.03 3.04 2.96 -1.21 -3.71 118.68 112.74 1s1h s LEU 119 Ca -0.00 -0.99 0.01 0.00 -0.22 0.00 0.00 54.13 52.94 1s1h s LEU 119 Cb 0.11 2.26 0.01 0.00 0.50 0.00 0.00 46.19 49.07 1s1h s LEU 119 CO 0.78 -1.36 -0.05 0.54 -1.32 0.00 0.00 176.35 174.94 1s1h s VAL 120 N -3.41 0.49 -0.45 1.68 0.11 -0.86 -2.12 120.40 115.83 1s1h s VAL 120 Ca 0.19 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 1s1h s VAL 120 Cb -0.03 -0.48 0.11 0.00 -1.53 0.00 0.00 36.38 34.45 1s1h s VAL 120 CO 0.11 0.19 0.32 -0.51 -3.33 0.00 0.00 175.10 171.87 1s1h s ILE 121 N 0.50 4.16 -0.14 7.04 -1.16 -0.23 -0.28 121.20 131.09 1s1h s ILE 121 Ca -0.06 -1.71 -0.07 0.00 -0.51 0.00 0.00 60.65 58.30 1s1h s ILE 121 Cb -0.10 -3.70 -0.04 0.00 0.61 0.00 0.00 42.46 39.23 1s1h s ILE 121 CO -0.00 -0.71 0.09 0.54 -2.81 0.00 0.00 174.94 172.05 1s1h s VAL 122 N 1.36 5.04 0.00 4.00 0.11 0.17 -0.79 120.40 130.29 1s1h s VAL 122 Ca 0.05 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1s1h s VAL 122 Cb -0.25 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1s1h s VAL 122 CO -0.00 0.54 0.19 1.07 -3.33 0.00 0.00 175.10 173.57 1s1h n THR 123 N 2.72 0.00 -3.31 5.04 5.66 -0.64 -2.16 114.28 121.59 1s1h n THR 123 Ca -0.18 0.39 -0.46 0.00 -3.05 0.00 0.00 64.05 60.75 1s1h n THR 123 Cb 0.53 -0.79 -0.05 0.00 -1.55 0.00 0.00 70.33 68.47 1s1h n THR 123 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1s1h s ASP 124 N -1.40 6.23 0.41 1.09 2.15 -1.26 -3.36 116.67 120.53 1s1h s ASP 124 Ca 0.00 -1.85 0.08 0.00 0.43 0.00 0.00 52.55 51.22 1s1h s ASP 124 Cb 0.00 -2.21 0.88 0.00 -0.30 0.00 0.00 42.92 41.29 1s1h s ASP 124 CO 0.00 -0.84 2.03 1.55 -0.17 0.00 0.00 175.17 177.74 1s1h h PRO 125 N 8.82 0.54 -0.22 4.34 0.13 -1.83 0.59 132.00 144.36 1s1h h PRO 125 Ca -0.27 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1s1h h PRO 125 Cb 1.10 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1s1h h PRO 125 CO 1.02 0.36 0.04 -0.09 -0.23 0.00 0.00 178.00 179.10 1s1h h ARG 126 N 0.55 0.37 -0.28 0.86 2.43 -1.93 0.70 114.38 117.08 1s1h h ARG 126 Ca 0.19 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1s1h h ARG 126 Cb 0.09 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1s1h h ARG 126 CO -0.05 0.50 -0.05 1.03 -1.51 0.00 0.00 179.97 179.89 1s1h h SER 127 N 0.17 0.53 0.00 -3.80 0.87 -1.78 -2.94 113.55 106.60 1s1h h SER 127 Ca 0.07 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1s1h h SER 127 Cb 0.31 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1s1h h SER 127 CO 0.00 0.76 0.00 0.47 -0.53 0.00 0.00 176.83 177.53 1s1h n ASP 128 N -4.53 0.15 -0.23 6.23 8.00 0.20 -4.51 116.55 121.86 1s1h n ASP 128 Ca -0.03 -1.91 0.13 0.00 0.71 0.00 0.00 54.79 53.69 1s1h n ASP 128 Cb 0.30 -0.08 0.42 0.00 -0.02 0.00 0.00 41.12 41.74 1s1h n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s1h h ALA 129 N 2.76 1.92 -0.90 2.24 0.00 0.61 -0.38 119.26 125.51 1s1h h ALA 129 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s1h h ALA 129 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1s1h h ALA 129 CO 0.00 -0.15 0.58 0.37 0.00 0.00 0.00 179.25 180.05 1s1h h GLN 130 N 0.60 1.19 -0.44 0.00 4.15 -1.84 -0.31 115.11 118.47 1s1h h GLN 130 Ca 0.42 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 1s1h h GLN 130 Cb 0.74 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1s1h h GLN 130 CO -0.17 0.81 0.10 0.00 -1.93 0.00 0.00 178.83 177.63 1s1h h ALA 131 N 1.32 0.58 -0.72 3.38 0.00 -1.45 -2.54 119.26 119.82 1s1h h ALA 131 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1s1h h ALA 131 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1s1h h ALA 131 CO -0.07 0.27 0.39 0.82 0.00 0.00 0.00 179.25 180.67 1s1h h ILE 132 N 0.57 1.22 -0.78 0.00 1.08 -0.92 -2.11 117.51 116.58 1s1h h ILE 132 Ca 0.14 -0.55 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1s1h h ILE 132 Cb 0.33 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 34.32 1s1h h ILE 132 CO 0.00 0.24 0.42 0.11 -0.69 0.00 0.00 178.15 178.24 1s1h h LYS 133 N 0.99 1.09 -0.39 2.37 1.79 -0.88 -1.40 116.57 120.15 1s1h h LYS 133 Ca 0.25 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.55 1s1h h LYS 133 Cb 0.04 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 1s1h h LYS 133 CO -0.04 0.81 0.05 0.93 -1.08 0.00 0.00 179.45 180.13 1s1h h GLU 134 N 1.08 0.58 -0.45 3.15 4.39 -0.98 -1.80 114.58 120.56 1s1h h GLU 134 Ca 0.27 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1s1h h GLU 134 Cb 0.04 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1s1h h GLU 134 CO -0.04 0.57 0.15 0.00 -1.16 0.00 0.00 179.01 178.53 1s1h h ALA 135 N 1.50 0.59 -0.59 3.43 0.00 -0.76 -2.30 119.26 121.14 1s1h h ALA 135 Ca 0.13 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1s1h h ALA 135 Cb 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1s1h h ALA 135 CO 0.00 0.23 0.30 1.03 0.00 0.00 0.00 179.25 180.81 1s1h h SER 136 N 0.59 0.44 -0.53 0.00 0.87 -0.61 0.79 113.55 115.09 1s1h h SER 136 Ca 0.15 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1s1h h SER 136 Cb 0.24 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1s1h h SER 136 CO -0.01 0.29 0.28 0.22 -0.53 0.00 0.00 176.83 177.09 1s1h h TYR 137 N 0.57 0.73 0.00 2.24 3.20 -1.30 -1.19 116.97 121.23 1s1h h TYR 137 Ca 0.26 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1s1h h TYR 137 Cb 0.17 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1s1h h TYR 137 CO -0.10 0.55 0.00 -0.24 -1.64 0.00 0.00 178.16 176.73 1s1h h VAL 138 N 0.71 0.00 -3.27 1.81 3.04 -0.53 -3.46 116.25 114.55 1s1h h VAL 138 Ca 0.19 -0.43 -0.22 0.00 -1.01 0.00 0.00 66.70 65.22 1s1h h VAL 138 Cb 0.06 1.32 0.06 0.00 -2.01 0.00 0.00 31.29 30.72 1s1h h VAL 138 CO -0.03 0.00 -0.36 -3.20 -1.01 0.00 0.00 177.57 172.97 1s1h n ASN 139 N -2.57 -4.28 -4.74 3.17 4.05 0.26 -5.00 115.26 106.15 1s1h n ASN 139 Ca 0.03 -0.24 -0.35 0.00 0.45 0.00 0.00 54.58 54.46 1s1h n ASN 139 Cb 0.32 -2.97 -0.08 0.00 1.23 0.00 0.00 39.78 38.28 1s1h n ASN 139 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1s1h s ILE 140 N -3.06 5.32 0.64 -1.44 1.01 -0.37 -5.02 121.20 118.29 1s1h s ILE 140 Ca 0.26 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.88 1s1h s ILE 140 Cb -0.11 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1s1h s ILE 140 CO 0.32 0.48 1.30 -2.84 0.00 0.00 0.00 174.94 174.20 1s1h s PRO 141 N 0.09 2.56 -0.14 2.79 0.02 -1.24 -4.47 135.00 134.62 1s1h s PRO 141 Ca 0.09 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.20 1s1h s PRO 141 Cb -0.11 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.56 1s1h s PRO 141 CO -0.01 -1.60 -0.15 0.08 -0.33 0.00 0.00 177.00 175.00 1s1h s VAL 142 N -1.38 1.58 0.01 3.83 1.01 -1.26 -2.03 120.40 122.16 1s1h s VAL 142 Ca 0.82 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1s1h s VAL 142 Cb -0.38 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1s1h s VAL 142 CO 0.40 0.46 -0.09 0.27 0.00 0.00 0.00 175.10 176.15 1s1h s ILE 143 N 1.34 3.50 -0.15 2.22 -4.36 0.62 -0.56 121.20 123.81 1s1h s ILE 143 Ca 0.02 -0.83 -0.24 0.00 -0.26 0.00 0.00 60.65 59.34 1s1h s ILE 143 Cb -0.13 -2.51 0.06 0.00 1.25 0.00 0.00 42.46 41.12 1s1h s ILE 143 CO -0.08 0.39 0.60 0.00 0.24 0.00 0.00 174.94 176.09 1s1h s ALA 144 N -0.98 -1.52 -0.58 2.27 0.00 -0.26 -0.66 121.76 120.03 1s1h s ALA 144 Ca 0.16 1.44 -0.22 0.00 0.00 0.00 0.00 51.96 53.34 1s1h s ALA 144 Cb -0.11 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.52 1s1h s ALA 144 CO 0.07 -0.31 0.85 -1.17 0.00 0.00 0.00 175.76 175.19 1s1h s LEU 145 N -0.38 4.53 0.01 0.00 2.96 -0.92 0.30 118.68 125.19 1s1h s LEU 145 Ca -0.05 -0.81 0.05 0.00 -0.22 0.00 0.00 54.13 53.10 1s1h s LEU 145 Cb -0.03 -2.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 1s1h s LEU 145 CO 0.04 -1.21 -0.16 -0.89 -1.32 0.00 0.00 176.35 172.82 1s1h s THR 146 N 3.54 1.25 0.00 3.68 2.01 -0.57 -4.28 115.64 121.27 1s1h s THR 146 Ca 0.22 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1s1h s THR 146 Cb -0.17 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1s1h s THR 146 CO 0.13 0.24 0.00 -0.90 -0.69 0.00 0.00 174.62 173.40 1s1h n ASP 147 N 2.39 0.46 0.25 3.53 5.75 -1.23 -2.33 116.55 125.37 1s1h n ASP 147 Ca -0.16 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.70 1s1h n ASP 147 Cb 0.54 0.00 0.63 0.00 -1.03 0.00 0.00 41.12 41.27 1s1h n ASP 147 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1s1h h LEU 148 N 0.00 0.00 -1.20 -2.12 5.85 -1.88 -2.66 115.31 113.30 1s1h h LEU 148 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1s1h h LEU 148 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1s1h h LEU 148 CO 0.00 0.05 -0.15 0.44 -0.34 0.00 0.00 178.44 178.44 1s1h h ASP 149 N 0.00 0.00 -1.82 1.25 5.19 -1.90 -1.90 116.42 117.23 1s1h h ASP 149 Ca -0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 1s1h h ASP 149 Cb 0.09 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.52 1s1h h ASP 149 CO 0.01 0.15 -0.53 -0.44 -3.12 0.00 0.00 179.24 175.31 1s1h s SER 150 N -6.04 4.64 -0.25 6.45 0.01 -1.01 -4.66 113.70 112.84 1s1h s SER 150 Ca 0.01 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.15 1s1h s SER 150 Cb 0.10 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1s1h s SER 150 CO 0.61 -0.35 1.20 -2.84 0.41 0.00 0.00 173.24 172.27 1s1h s PRO 151 N -3.86 4.10 0.39 12.44 0.02 -1.26 -4.35 135.00 142.48 1s1h s PRO 151 Ca 0.38 1.35 0.20 0.00 0.02 0.00 0.00 61.00 62.96 1s1h s PRO 151 Cb -0.01 -3.77 0.72 0.00 0.02 0.00 0.00 34.50 31.45 1s1h s PRO 151 CO 0.23 -0.86 1.75 0.66 -0.33 0.00 0.00 177.00 178.44 1s1h h SER 152 N 8.38 0.00 -0.94 2.53 4.64 -1.93 -3.18 113.55 123.05 1s1h h SER 152 Ca -0.24 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.10 1s1h h SER 152 Cb 1.08 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.12 1s1h h SER 152 CO 1.01 0.34 0.62 -0.08 -0.87 0.00 0.00 176.83 177.84 1s1h h GLU 153 N 0.00 1.21 -0.12 4.77 4.81 -1.94 -2.23 114.58 121.08 1s1h h GLU 153 Ca -0.00 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1s1h h GLU 153 Cb 0.88 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1s1h h GLU 153 CO 0.04 0.80 -0.42 0.74 -0.73 0.00 0.00 179.01 179.44 1s1h h PHE 154 N 1.25 0.33 -3.35 0.92 0.04 -1.98 -3.43 116.94 110.71 1s1h h PHE 154 Ca 0.36 -0.09 -0.57 0.00 2.80 0.00 0.00 57.97 60.47 1s1h h PHE 154 Cb -0.09 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 37.93 1s1h h PHE 154 CO -0.00 0.66 0.21 0.08 -0.60 0.00 0.00 178.31 178.67 1s1h s VAL 155 N -4.13 4.97 0.04 -0.55 1.01 -0.84 -4.90 120.40 116.00 1s1h s VAL 155 Ca -0.05 1.53 -0.22 0.00 0.00 0.00 0.00 61.98 63.24 1s1h s VAL 155 Cb 0.13 -4.08 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1s1h s VAL 155 CO 0.78 0.15 1.39 0.44 0.00 0.00 0.00 175.10 177.87 1s1h h ASP 156 N 7.03 0.26 -3.48 3.32 3.32 -1.30 -3.40 116.42 122.16 1s1h h ASP 156 Ca -0.36 -0.41 -0.60 0.00 0.02 0.00 0.00 57.03 55.68 1s1h h ASP 156 Cb 1.17 -0.07 -0.38 0.00 0.22 0.00 0.00 39.33 40.27 1s1h h ASP 156 CO 0.78 0.61 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.42 1s1h s VAL 157 N -4.59 1.49 -0.11 -1.35 1.01 0.27 -4.98 120.40 112.15 1s1h s VAL 157 Ca -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1s1h s VAL 157 Cb 0.05 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1s1h s VAL 157 CO 0.72 0.06 -0.02 0.00 0.00 0.00 0.00 175.10 175.85 1s1h s ALA 158 N 1.44 3.13 -0.73 5.51 0.00 -1.26 -1.10 121.76 128.75 1s1h s ALA 158 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1s1h s ALA 158 Cb -0.17 -1.46 0.19 0.00 0.00 0.00 0.00 23.12 21.67 1s1h s ALA 158 CO -0.07 0.45 0.58 0.42 0.00 0.00 0.00 175.76 177.14 1s1h s ILE 159 N -0.43 4.00 -0.12 0.00 1.01 0.15 -4.59 121.20 121.21 1s1h s ILE 159 Ca 0.07 -3.31 -0.29 0.00 0.00 0.00 0.00 60.65 57.12 1s1h s ILE 159 Cb -0.12 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1s1h s ILE 159 CO 0.02 -0.96 1.69 -2.16 0.00 0.00 0.00 174.94 173.53 1s1h s PRO 160 N -0.57 3.96 0.00 2.79 0.04 -1.24 -1.52 135.00 138.46 1s1h s PRO 160 Ca 0.21 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1s1h s PRO 160 Cb -0.15 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1s1h s PRO 160 CO -0.07 -1.10 0.00 0.00 0.04 0.00 0.00 177.00 175.87 1s1h n ASN 162 N 0.00 2.05 0.23 0.00 4.05 -1.22 -3.52 115.26 116.86 1s1h n ASN 162 Ca 0.00 0.53 0.12 0.00 0.45 0.00 0.00 54.58 55.68 1s1h n ASN 162 Cb 0.00 -1.21 0.44 0.00 1.23 0.00 0.00 39.78 40.23 1s1h n ASN 162 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1s1h h ASN 163 N 11.39 0.00 -1.64 1.20 -1.07 -1.89 -3.41 115.58 120.15 1s1h h ASN 163 Ca -0.28 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.56 1s1h h ASN 163 Cb 1.33 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.52 1s1h h ASN 163 CO 1.02 0.13 -0.46 -0.60 0.07 0.00 0.00 177.43 177.59 1s1h s ARG 164 N -3.50 2.39 0.00 4.14 3.52 -1.26 -4.79 118.95 119.44 1s1h s ARG 164 Ca 0.02 -1.65 0.00 0.00 -0.13 0.00 0.00 55.73 53.98 1s1h s ARG 164 Cb 0.08 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.29 1s1h s ARG 164 CO 0.62 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.44 1s1h n GLY 165 N -1.33 -1.43 0.28 8.12 0.00 -1.26 -4.58 105.19 104.99 1s1h n GLY 165 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 46.02 45.02 1s1h n GLY 165 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s1h h LYS 166 N 0.00 0.79 -0.68 1.61 1.57 -1.81 -1.57 116.57 116.48 1s1h h LYS 166 Ca 0.00 -0.22 0.07 0.00 -1.87 0.00 0.00 60.65 58.63 1s1h h LYS 166 Cb 0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1s1h h LYS 166 CO 0.00 0.81 0.45 0.45 -0.57 0.00 0.00 179.45 180.59 1s1h h HIS 167 N 0.73 0.67 0.15 -1.35 3.86 -1.86 0.17 115.15 117.53 1s1h h HIS 167 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1s1h h HIS 167 Cb 0.48 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1s1h h HIS 167 CO 0.03 0.35 -0.07 1.03 0.86 0.00 0.00 177.93 180.12 1s1h h SER 168 N 0.65 -0.18 -0.96 2.45 0.87 -1.64 -3.21 113.55 111.54 1s1h h SER 168 Ca 0.30 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1s1h h SER 168 Cb 0.32 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 1s1h h SER 168 CO -0.10 0.39 0.63 0.16 -0.53 0.00 0.00 176.83 177.39 1s1h h ILE 169 N -0.97 1.22 -0.87 2.23 3.07 -0.85 0.07 117.51 121.40 1s1h h ILE 169 Ca -0.02 -0.44 -0.01 0.00 1.55 0.00 0.00 64.86 65.94 1s1h h ILE 169 Cb 0.43 -0.16 -0.04 0.00 -0.27 0.00 0.00 36.82 36.78 1s1h h ILE 169 CO 0.03 0.23 0.51 1.23 -1.05 0.00 0.00 178.15 179.11 1s1h h GLY 170 N 1.27 1.28 0.79 0.16 0.00 -0.84 -2.05 103.07 103.69 1s1h h GLY 170 Ca 0.36 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1s1h h GLY 170 CO -0.09 0.53 -0.21 -2.00 0.00 0.00 0.00 176.54 174.78 1s1h h LEU 171 N 1.21 -0.50 -0.00 3.11 6.46 -0.99 -0.42 115.31 124.18 1s1h h LEU 171 Ca 0.31 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1s1h h LEU 171 Cb -0.02 0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1s1h h LEU 171 CO -0.06 -0.20 0.00 0.40 -0.62 0.00 0.00 178.44 177.97 1s1h h ILE 172 N -0.80 1.14 -0.28 4.05 5.03 -1.37 -1.99 117.51 123.29 1s1h h ILE 172 Ca -0.06 -0.40 0.02 0.00 -0.12 0.00 0.00 64.86 64.30 1s1h h ILE 172 Cb 0.55 1.40 -0.02 0.00 -3.03 0.00 0.00 36.82 35.71 1s1h h ILE 172 CO 0.10 0.10 0.13 -0.50 -0.68 0.00 0.00 178.15 177.31 1s1h h TRP 173 N -0.16 0.25 -0.64 1.37 6.55 -1.42 0.50 115.95 122.40 1s1h h TRP 173 Ca 0.00 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1s1h h TRP 173 Cb 0.17 -0.07 -0.03 0.00 -0.86 0.00 0.00 29.16 28.37 1s1h h TRP 173 CO -0.02 0.14 0.42 0.10 -1.05 0.00 0.00 178.44 178.03 1s1h h TYR 174 N 0.28 0.80 -0.54 0.49 -0.00 -0.77 0.20 116.97 117.44 1s1h h TYR 174 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 58.73 58.83 1s1h h TYR 174 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 36.73 36.47 1s1h h TYR 174 CO -0.10 0.51 0.22 1.25 -0.00 0.00 0.00 178.16 180.04 1s1h h LEU 175 N 0.87 0.74 -1.63 0.10 5.85 -0.67 0.45 115.31 121.01 1s1h h LEU 175 Ca 0.24 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1s1h h LEU 175 Cb -0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1s1h h LEU 175 CO -0.05 0.70 0.25 0.17 -0.34 0.00 0.00 178.44 179.16 1s1h h LEU 176 N 0.73 0.43 -0.29 2.25 8.10 0.58 0.23 115.31 127.33 1s1h h LEU 176 Ca 0.18 -0.01 -0.09 0.00 0.11 0.00 0.00 57.88 58.07 1s1h h LEU 176 Cb 0.18 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1s1h h LEU 176 CO -0.02 0.31 -0.17 0.00 -4.11 0.00 0.00 178.44 174.46 1s1h h ALA 177 N 1.76 0.41 -0.97 0.17 0.00 0.17 -2.58 119.26 118.23 1s1h h ALA 177 Ca 0.14 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1s1h h ALA 177 Cb -0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1s1h h ALA 177 CO -0.03 0.33 0.64 -0.09 0.00 0.00 0.00 179.25 180.10 1s1h h ARG 178 N 0.38 1.22 -0.51 0.00 1.12 0.15 0.30 114.38 117.03 1s1h h ARG 178 Ca 0.06 -0.07 -0.04 0.00 -1.11 0.00 0.00 59.98 58.82 1s1h h ARG 178 Cb 0.70 -0.27 -0.02 0.00 -0.01 0.00 0.00 29.97 30.36 1s1h h ARG 178 CO 0.05 0.80 0.17 0.93 -3.11 0.00 0.00 179.97 178.81 1s1h h GLU 179 N 1.25 0.75 -0.14 0.20 5.08 -0.90 0.72 114.58 121.54 1s1h h GLU 179 Ca 0.38 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1s1h h GLU 179 Cb -0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1s1h h GLU 179 CO -0.11 0.65 0.06 0.28 -1.00 0.00 0.00 179.01 178.89 1s1h h VAL 180 N 0.74 1.14 -0.43 3.13 2.07 -0.04 0.55 116.25 123.41 1s1h h VAL 180 Ca 0.17 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 1s1h h VAL 180 Cb 0.21 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1s1h h VAL 180 CO -0.01 0.13 -0.12 -0.07 0.02 0.00 0.00 177.57 177.52 1s1h h LEU 181 N 0.08 0.85 -1.07 2.57 -0.00 -0.64 -1.32 115.31 115.79 1s1h h LEU 181 Ca 0.05 -0.37 0.04 0.00 -0.00 0.00 0.00 57.88 57.60 1s1h h LEU 181 Cb 0.15 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 40.52 1s1h h LEU 181 CO -0.00 1.02 0.63 -0.09 -0.00 0.00 0.00 178.44 180.00 1s1h h ARG 182 N 0.67 1.15 -0.17 1.13 9.65 0.65 0.87 114.38 128.33 1s1h h ARG 182 Ca 0.11 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.83 1s1h h ARG 182 Cb 0.66 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.96 1s1h h ARG 182 CO 0.05 0.76 -0.27 1.25 2.80 0.00 0.00 179.97 184.56 1s1h h LEU 183 N 1.19 0.32 -0.63 3.80 5.85 -0.56 -2.63 115.31 122.65 1s1h h LEU 183 Ca 0.39 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.86 1s1h h LEU 183 Cb 0.05 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1s1h h LEU 183 CO -0.13 0.59 -0.58 0.03 -0.34 0.00 0.00 178.44 178.02 1s1h h ARG 184 N 0.29 0.33 0.00 1.25 3.08 0.16 -3.47 114.38 116.02 1s1h h ARG 184 Ca 0.04 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1s1h h ARG 184 Cb 0.63 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1s1h h ARG 184 CO 0.05 0.82 0.00 0.41 -1.07 0.00 0.00 179.97 180.17 1s1h n GLY 185 N 0.23 0.98 0.30 0.04 0.00 0.22 -5.00 105.19 101.97 1s1h n GLY 185 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 1s1h n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1h h ALA 186 N 0.00 0.98 -4.74 4.61 0.00 -1.64 -3.47 119.26 115.00 1s1h h ALA 186 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 54.91 54.23 1s1h h ALA 186 Cb 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 17.79 17.65 1s1h h ALA 186 CO 0.00 0.63 -0.62 1.28 0.00 0.00 0.00 179.25 180.54 1s1h n LEU 187 N -4.20 -2.85 -4.80 0.00 4.77 -1.26 -4.92 117.00 103.73 1s1h n LEU 187 Ca 0.03 -0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 55.34 1s1h n LEU 187 Cb 0.31 -3.00 -0.01 0.00 -2.33 0.00 0.00 43.42 38.39 1s1h n LEU 187 CO 0.43 0.32 0.72 0.68 -1.33 0.00 0.00 177.39 178.20 1s1h s VAL 188 N -3.21 3.81 0.70 4.08 -7.23 -1.26 -5.05 120.40 112.23 1s1h s VAL 188 Ca 0.36 0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 61.40 1s1h s VAL 188 Cb -0.16 -3.42 0.16 0.00 0.56 0.00 0.00 36.38 33.52 1s1h s VAL 188 CO 0.45 -0.38 0.91 0.47 -0.31 0.00 0.00 175.10 176.23 1s1h n ASP 189 N -1.51 -0.12 -4.66 4.85 8.00 -1.26 -5.02 116.55 116.83 1s1h n ASP 189 Ca 0.09 -1.29 -0.31 0.00 0.71 0.00 0.00 54.79 53.99 1s1h n ASP 189 Cb 0.53 -0.70 0.17 0.00 -0.02 0.00 0.00 41.12 41.10 1s1h n ASP 189 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1s1h s ARG 190 N -4.98 0.85 0.19 -1.24 0.52 -1.26 -4.96 118.95 108.07 1s1h s ARG 190 Ca 0.52 1.45 -0.28 0.00 -0.52 0.00 0.00 55.73 56.89 1s1h s ARG 190 Cb -0.02 -1.72 -0.08 0.00 0.52 0.00 0.00 34.95 33.66 1s1h s ARG 190 CO 0.37 -2.71 0.89 -0.08 0.02 0.00 0.00 175.30 173.78 1s1h s THR 191 N -2.64 4.25 0.27 0.02 -1.32 -1.26 -4.98 115.64 109.98 1s1h s THR 191 Ca 0.67 1.95 0.08 0.00 -1.21 0.00 0.00 61.69 63.18 1s1h s THR 191 Cb -0.23 -4.26 -0.01 0.00 -1.51 0.00 0.00 72.50 66.49 1s1h s THR 191 CO 0.59 0.47 1.63 1.56 -2.21 0.00 0.00 174.62 176.66 1s1h h GLN 192 N 4.49 0.11 0.00 7.08 7.50 -1.99 -3.31 115.11 129.00 1s1h h GLN 192 Ca -0.45 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 58.63 1s1h h GLN 192 Cb 1.20 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.74 1s1h h GLN 192 CO 0.68 0.64 0.00 -2.30 -1.50 0.00 0.00 178.83 176.36 1s1h n PRO 193 N -3.89 0.12 -0.04 1.46 -0.01 -1.26 -2.29 135.00 129.09 1s1h n PRO 193 Ca -0.02 0.54 0.08 0.00 -0.01 0.00 0.00 63.50 64.10 1s1h n PRO 193 Cb 0.58 -1.83 0.47 0.00 -0.01 0.00 0.00 33.50 32.71 1s1h n PRO 193 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 175.50 177.84 1s1h h TRP 194 N 0.00 0.46 -0.17 6.00 7.01 -1.96 0.73 115.95 128.02 1s1h h TRP 194 Ca 0.00 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1s1h h TRP 194 Cb 0.10 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 1s1h h TRP 194 CO 0.00 0.25 0.07 0.66 -2.79 0.00 0.00 178.44 176.63 1s1h h SER 195 N 0.46 0.21 -0.52 2.65 4.64 -1.76 0.20 113.55 119.43 1s1h h SER 195 Ca 0.22 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1s1h h SER 195 Cb 0.27 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1s1h h SER 195 CO -0.06 0.19 0.30 0.40 -0.87 0.00 0.00 176.83 176.79 1s1h h ILE 196 N 0.24 1.16 0.00 0.95 2.04 0.30 -3.55 117.51 118.66 1s1h h ILE 196 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1s1h h ILE 196 Cb 0.04 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1s1h h ILE 196 CO -0.01 0.18 0.00 0.80 0.00 0.00 0.00 178.15 179.12