#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x71 s SER 5 N 0.00 -0.63 -0.09 3.42 0.01 -1.26 -5.16 113.70 109.99 1x71 s SER 5 Ca 0.00 1.19 0.01 0.00 1.31 0.00 0.00 55.95 58.45 1x71 s SER 5 Cb 0.00 1.18 0.02 0.00 0.21 0.00 0.00 66.02 67.44 1x71 s SER 5 CO 0.00 -0.21 -0.09 -1.81 0.41 0.00 0.00 173.24 171.55 1x71 s ASP 6 N 0.47 1.93 0.02 2.44 1.11 -1.26 -5.14 116.67 116.24 1x71 s ASP 6 Ca -0.01 -0.28 0.03 0.00 0.18 0.00 0.00 52.55 52.47 1x71 s ASP 6 Cb -0.04 -0.79 -0.01 0.00 1.07 0.00 0.00 42.92 43.14 1x71 s ASP 6 CO -0.01 -0.07 -0.10 -0.76 1.18 0.00 0.00 175.17 175.41 1x71 s LEU 7 N 1.32 2.11 0.17 1.23 1.43 -1.26 -5.11 118.68 118.58 1x71 s LEU 7 Ca -0.03 -0.32 -0.32 0.00 -1.03 0.00 0.00 54.13 52.43 1x71 s LEU 7 Cb -0.14 -0.42 -0.12 0.00 0.03 0.00 0.00 46.19 45.55 1x71 s LEU 7 CO -0.04 0.02 1.75 -0.38 0.23 0.00 0.00 176.35 177.93 1x71 n ILE 8 N 2.30 0.13 -1.66 -0.59 5.41 -1.26 -4.90 119.36 118.78 1x71 n ILE 8 Ca -0.17 -0.02 -0.39 0.00 1.00 0.00 0.00 62.75 63.17 1x71 n ILE 8 Cb 0.56 -1.99 0.04 0.00 -0.71 0.00 0.00 39.64 37.54 1x71 n ILE 8 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1x71 n PRO 9 N 4.50 1.27 -2.46 0.38 -0.02 -1.26 -4.86 135.00 132.56 1x71 n PRO 9 Ca 0.17 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 1x71 n PRO 9 Cb 0.35 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1x71 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x71 s ALA 10 N -1.38 3.23 0.68 3.55 0.00 -1.26 -4.94 121.76 121.63 1x71 s ALA 10 Ca 0.72 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 1x71 s ALA 10 Cb -0.44 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 1x71 s ALA 10 CO 0.50 -0.26 1.06 -1.25 0.00 0.00 0.00 175.76 175.80 1x71 s PRO 11 N -2.02 3.08 0.48 0.00 0.04 -1.26 -4.99 135.00 130.32 1x71 s PRO 11 Ca 0.52 0.84 -0.23 0.00 0.04 0.00 0.00 61.00 62.18 1x71 s PRO 11 Cb -0.28 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1x71 s PRO 11 CO 0.36 -0.97 1.21 -2.14 0.04 0.00 0.00 177.00 175.49 1x71 s PRO 12 N -5.11 3.61 0.62 0.56 0.02 -1.26 -4.83 135.00 128.60 1x71 s PRO 12 Ca 0.57 1.87 0.34 0.00 0.02 0.00 0.00 61.00 63.81 1x71 s PRO 12 Cb -0.13 -2.37 1.99 0.00 0.02 0.00 0.00 34.50 34.02 1x71 s PRO 12 CO 0.54 -0.70 2.27 -0.07 -0.33 0.00 0.00 177.00 178.72 1x71 h LEU 13 N 1.90 0.00 -2.07 -5.54 3.38 -1.94 0.42 115.31 111.46 1x71 h LEU 13 Ca -0.50 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.58 1x71 h LEU 13 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1x71 h LEU 13 CO 0.59 0.00 0.32 -1.28 0.09 0.00 0.00 178.44 178.16 1x71 h SER 14 N 0.00 0.00 -0.58 -0.43 0.87 -2.03 -1.34 113.55 110.04 1x71 h SER 14 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x71 h SER 14 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1x71 h SER 14 CO -0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 1x71 n LYS 15 N -4.00 4.73 -3.87 2.24 5.02 0.14 -4.77 118.16 117.65 1x71 n LYS 15 Ca 0.06 -3.09 -0.30 0.00 -2.02 0.00 0.00 58.31 52.96 1x71 n LYS 15 Cb 0.49 -2.22 -0.16 0.00 -0.02 0.00 0.00 35.03 33.12 1x71 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x71 s VAL 16 N -2.63 1.25 0.87 -0.18 1.01 -0.51 -4.96 120.40 115.25 1x71 s VAL 16 Ca 0.54 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 1x71 s VAL 16 Cb 0.40 -1.64 0.11 0.00 0.00 0.00 0.00 36.38 35.25 1x71 s VAL 16 CO 0.17 -0.22 1.09 -2.84 0.00 0.00 0.00 175.10 173.30 1x71 s PRO 17 N 1.51 1.48 -0.11 2.72 0.02 -1.26 -4.99 135.00 134.37 1x71 s PRO 17 Ca -0.02 1.03 0.03 0.00 0.02 0.00 0.00 61.00 62.05 1x71 s PRO 17 Cb -0.18 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 1x71 s PRO 17 CO -0.09 -2.14 -0.21 -1.17 -0.33 0.00 0.00 177.00 173.06 1x71 s LEU 18 N -6.21 2.26 0.05 -5.54 2.96 -1.26 -4.13 118.68 106.83 1x71 s LEU 18 Ca 0.63 -0.50 -0.35 0.00 -0.22 0.00 0.00 54.13 53.69 1x71 s LEU 18 Cb -0.19 -1.47 -0.14 0.00 0.50 0.00 0.00 46.19 44.90 1x71 s LEU 18 CO 0.57 0.16 1.62 1.67 -1.32 0.00 0.00 176.35 179.05 1x71 n GLN 19 N 3.56 1.90 -2.61 1.98 -0.06 0.18 -4.91 117.38 117.42 1x71 n GLN 19 Ca -0.19 0.69 -0.34 0.00 -2.00 0.00 0.00 57.00 55.16 1x71 n GLN 19 Cb 0.53 -2.45 -0.04 0.00 -4.06 0.00 0.00 30.24 24.21 1x71 n GLN 19 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1x71 s GLN 20 N 1.79 3.99 -1.37 3.69 -2.07 -1.26 -3.76 119.66 120.68 1x71 s GLN 20 Ca 0.85 1.34 -0.01 0.00 -1.82 0.00 0.00 55.36 55.72 1x71 s GLN 20 Cb -0.76 -2.23 0.01 0.00 -1.09 0.00 0.00 33.01 28.94 1x71 s GLN 20 CO 0.45 -0.26 0.60 -1.71 -1.32 0.00 0.00 175.29 173.05 1x71 n ASN 21 N -0.65 -1.06 -4.69 12.60 5.15 -1.26 -4.84 115.26 120.50 1x71 n ASN 21 Ca 0.08 -0.90 -0.44 0.00 -0.60 0.00 0.00 54.58 52.72 1x71 n ASN 21 Cb 0.52 -3.61 -0.02 0.00 -0.53 0.00 0.00 39.78 36.14 1x71 n ASN 21 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1x71 n PHE 22 N -4.35 2.32 -3.88 1.20 -0.00 -1.25 -4.98 117.46 106.53 1x71 n PHE 22 Ca -0.28 0.41 -0.34 0.00 -0.00 0.00 0.00 57.45 57.25 1x71 n PHE 22 Cb 0.67 -2.48 -0.13 0.00 -0.00 0.00 0.00 39.48 37.54 1x71 n PHE 22 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1x71 s GLN 23 N -0.61 1.89 0.36 -4.13 -0.21 -1.26 -4.81 119.66 110.89 1x71 s GLN 23 Ca 0.66 -2.04 0.11 0.00 0.02 0.00 0.00 55.36 54.10 1x71 s GLN 23 Cb -0.61 -3.44 0.88 0.00 1.00 0.00 0.00 33.01 30.85 1x71 s GLN 23 CO 0.51 -1.05 1.85 0.38 -2.12 0.00 0.00 175.29 174.86 1x71 h ASP 24 N 7.55 0.61 -0.31 5.90 2.03 -1.99 -2.21 116.42 127.99 1x71 h ASP 24 Ca -0.08 0.05 0.07 0.00 -0.73 0.00 0.00 57.03 56.34 1x71 h ASP 24 Cb 1.00 -0.06 -0.07 0.00 -0.83 0.00 0.00 39.33 39.37 1x71 h ASP 24 CO 0.64 0.27 -0.15 0.78 -1.03 0.00 0.00 179.24 179.75 1x71 h ASN 25 N 0.62 -0.51 0.84 4.15 4.21 -2.00 -2.16 115.58 120.73 1x71 h ASN 25 Ca 0.48 0.12 0.00 0.00 1.21 0.00 0.00 56.30 58.11 1x71 h ASN 25 Cb 0.90 0.28 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 1x71 h ASN 25 CO -0.23 -0.19 0.00 0.00 -1.29 0.00 0.00 177.43 175.72 1x71 n GLN 26 N -5.33 0.03 0.00 0.81 6.02 -0.85 -3.24 117.38 114.83 1x71 n GLN 26 Ca 0.01 0.06 0.11 0.00 -0.01 0.00 0.00 57.00 57.17 1x71 n GLN 26 Cb 0.24 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.09 1x71 n GLN 26 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1x71 n PHE 27 N -1.48 0.00 -0.74 1.08 -0.00 -0.83 -4.75 117.46 110.74 1x71 n PHE 27 Ca 0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.22 1x71 n PHE 27 Cb 0.29 -0.11 0.18 0.00 -0.00 0.00 0.00 39.48 39.85 1x71 n PHE 27 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 1x71 s GLN 28 N -2.87 0.59 0.89 -4.13 -2.07 -1.12 -4.83 119.66 106.11 1x71 s GLN 28 Ca 0.12 1.26 0.00 0.00 -1.82 0.00 0.00 55.36 54.92 1x71 s GLN 28 Cb 0.17 -1.70 0.00 0.00 -1.09 0.00 0.00 33.01 30.39 1x71 s GLN 28 CO 0.73 -2.83 0.00 0.41 -1.32 0.00 0.00 175.29 172.28 1x71 n GLY 29 N 0.14 -0.48 3.76 2.60 0.00 0.59 -4.83 105.19 106.97 1x71 n GLY 29 Ca 0.09 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 1x71 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x71 s LYS 30 N 0.00 3.88 -0.06 1.61 2.20 -1.26 0.15 119.74 126.26 1x71 s LYS 30 Ca 0.00 -0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.44 1x71 s LYS 30 Cb 0.00 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1x71 s LYS 30 CO 0.00 0.46 -0.19 -1.58 -0.36 0.00 0.00 175.35 173.68 1x71 s TRP 31 N -0.12 1.96 0.05 4.03 0.52 -0.23 -4.68 118.94 120.48 1x71 s TRP 31 Ca 0.10 -0.66 -0.16 0.00 0.02 0.00 0.00 56.10 55.40 1x71 s TRP 31 Cb -0.11 -1.33 -0.06 0.00 -1.15 0.00 0.00 33.47 30.81 1x71 s TRP 31 CO 0.00 -0.25 0.48 0.71 0.02 0.00 0.00 176.95 177.92 1x71 s TYR 32 N 0.20 3.73 -0.90 -1.98 2.02 0.81 -0.39 117.35 120.83 1x71 s TYR 32 Ca -0.09 1.09 -0.21 0.00 -0.37 0.00 0.00 57.07 57.49 1x71 s TYR 32 Cb -0.14 -2.37 0.10 0.00 -0.40 0.00 0.00 41.96 39.15 1x71 s TYR 32 CO 0.04 0.59 1.18 0.08 -1.57 0.00 0.00 175.55 175.87 1x71 s VAL 33 N -1.17 4.44 -0.00 0.71 1.01 -0.53 -0.79 120.40 124.06 1x71 s VAL 33 Ca 0.28 -1.12 0.14 0.00 0.00 0.00 0.00 61.98 61.28 1x71 s VAL 33 Cb -0.17 -4.83 0.01 0.00 0.00 0.00 0.00 36.38 31.39 1x71 s VAL 33 CO 0.16 -1.61 1.48 0.58 0.00 0.00 0.00 175.10 175.71 1x71 h VAL 34 N 6.09 1.08 -2.92 2.92 2.07 -1.57 -3.40 116.25 120.51 1x71 h VAL 34 Ca 0.08 -2.33 -0.14 0.00 0.82 0.00 0.00 66.70 65.13 1x71 h VAL 34 Cb 1.03 2.40 -0.25 0.00 -1.52 0.00 0.00 31.29 32.95 1x71 h VAL 34 CO 1.20 0.58 -0.32 -0.83 0.02 0.00 0.00 177.57 178.22 1x71 s GLY 35 N -4.49 -0.25 -0.05 2.17 0.00 -0.95 -3.75 107.32 100.00 1x71 s GLY 35 Ca 0.02 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.68 1x71 s GLY 35 CO 0.75 0.80 -0.03 1.08 0.00 0.00 0.00 173.10 175.70 1x71 s LEU 36 N 0.14 1.15 -0.07 0.66 1.43 0.54 0.86 118.68 123.39 1x71 s LEU 36 Ca -0.00 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1x71 s LEU 36 Cb -0.02 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.79 1x71 s LEU 36 CO 0.01 -0.09 0.22 0.00 0.23 0.00 0.00 176.35 176.72 1x71 s ALA 37 N 1.16 -0.55 0.00 4.21 0.00 0.10 0.73 121.76 127.41 1x71 s ALA 37 Ca -0.07 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1x71 s ALA 37 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1x71 s ALA 37 CO -0.01 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.03 1x71 n GLY 38 N 2.70 0.74 0.14 0.00 0.00 -0.92 0.96 105.19 108.82 1x71 n GLY 38 Ca -0.14 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.18 1x71 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x71 n ASN 39 N 0.00 0.58 -0.18 1.61 6.94 -0.85 -1.34 115.26 122.03 1x71 n ASN 39 Ca 0.00 0.71 0.03 0.00 -0.02 0.00 0.00 54.58 55.30 1x71 n ASN 39 Cb 0.00 -0.81 0.01 0.00 -2.36 0.00 0.00 39.78 36.62 1x71 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x71 n ALA 40 N -1.77 2.52 -2.07 -2.53 0.00 -1.26 -4.65 120.51 110.75 1x71 n ALA 40 Ca 0.00 -0.46 -0.40 0.00 0.00 0.00 0.00 53.44 52.58 1x71 n ALA 40 Cb 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 1x71 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x71 s ILE 41 N -0.68 4.43 -0.03 0.00 -1.09 -0.45 -5.07 121.20 118.31 1x71 s ILE 41 Ca 0.06 1.76 0.00 0.00 -2.23 0.00 0.00 60.65 60.24 1x71 s ILE 41 Cb 0.04 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1x71 s ILE 41 CO 0.10 0.47 0.01 -0.76 -1.23 0.00 0.00 174.94 173.52 1x71 s LEU 42 N -0.80 1.08 0.12 2.97 1.43 -1.26 -4.34 118.68 117.87 1x71 s LEU 42 Ca 0.38 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 1x71 s LEU 42 Cb -0.23 -0.20 -0.10 0.00 0.03 0.00 0.00 46.19 45.70 1x71 s LEU 42 CO 0.26 -0.12 1.75 -0.13 0.23 0.00 0.00 176.35 178.35 1x71 s ARG 43 N 1.11 4.16 0.00 1.70 0.52 0.78 -5.00 118.95 122.22 1x71 s ARG 43 Ca -0.08 2.50 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1x71 s ARG 43 Cb -0.13 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.82 1x71 s ARG 43 CO -0.02 -0.79 0.00 -0.85 0.02 0.00 0.00 175.30 173.66 1x71 n GLU 44 N 5.38 0.00 -4.15 3.54 -0.00 -1.26 -5.03 120.64 119.11 1x71 n GLU 44 Ca 0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.17 1x71 n GLU 44 Cb 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 31.44 31.70 1x71 n GLU 44 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 1x71 s PRO 48 N 1.12 0.67 0.03 3.44 0.02 -1.26 -5.17 135.00 133.86 1x71 s PRO 48 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 61.00 59.96 1x71 s PRO 48 Cb 0.00 -0.57 -0.06 0.00 0.02 0.00 0.00 34.50 33.89 1x71 s PRO 48 CO 0.00 0.13 1.43 -1.14 -0.33 0.00 0.00 177.00 177.08 1x71 s GLN 49 N -1.40 4.28 0.35 5.54 0.74 -1.26 -4.96 119.66 122.96 1x71 s GLN 49 Ca -0.04 2.03 -0.24 0.00 0.05 0.00 0.00 55.36 57.16 1x71 s GLN 49 Cb -0.09 -3.51 -0.10 0.00 1.10 0.00 0.00 33.01 30.42 1x71 s GLN 49 CO 0.01 -0.56 0.93 0.15 -0.55 0.00 0.00 175.29 175.27 1x71 s LYS 50 N 2.14 4.42 0.48 1.67 1.02 -1.26 -1.79 119.74 126.41 1x71 s LYS 50 Ca 0.65 1.21 -0.23 0.00 0.02 0.00 0.00 55.97 57.62 1x71 s LYS 50 Cb -0.33 -2.58 -0.07 0.00 -0.52 0.00 0.00 37.83 34.33 1x71 s LYS 50 CO 0.28 0.18 1.27 1.41 -0.92 0.00 0.00 175.35 177.56 1x71 s MET 51 N -2.47 3.60 0.25 1.68 -2.45 0.52 -4.73 119.30 115.70 1x71 s MET 51 Ca 0.54 2.03 0.02 0.00 -1.25 0.00 0.00 55.69 57.03 1x71 s MET 51 Cb -0.15 -2.45 -0.05 0.00 1.25 0.00 0.00 34.83 33.43 1x71 s MET 51 CO 0.20 -0.76 0.07 1.52 1.05 0.00 0.00 175.02 177.10 1x71 s TYR 52 N -1.39 1.53 0.13 4.11 1.13 -1.26 -4.63 117.35 116.96 1x71 s TYR 52 Ca 0.65 -1.12 0.07 0.00 -1.41 0.00 0.00 57.07 55.27 1x71 s TYR 52 Cb -0.35 -0.90 -0.04 0.00 -1.10 0.00 0.00 41.96 39.57 1x71 s TYR 52 CO 0.43 -0.26 -0.18 0.00 -2.51 0.00 0.00 175.55 173.03 1x71 s ALA 53 N -3.67 1.76 -0.07 9.51 0.00 0.08 -1.46 121.76 127.91 1x71 s ALA 53 Ca 0.35 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1x71 s ALA 53 Cb 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1x71 s ALA 53 CO 0.12 0.23 -0.13 0.99 0.00 0.00 0.00 175.76 176.97 1x71 s THR 54 N -1.79 1.19 -0.23 0.00 2.01 0.47 -0.55 115.64 116.75 1x71 s THR 54 Ca 0.10 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 1x71 s THR 54 Cb -0.07 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1x71 s THR 54 CO 0.05 0.37 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.71 1x71 s ILE 55 N 0.65 3.69 -0.67 1.82 1.01 0.23 -1.06 121.20 126.87 1x71 s ILE 55 Ca -0.15 -0.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1x71 s ILE 55 Cb -0.16 -2.69 0.16 0.00 0.01 0.00 0.00 42.46 39.78 1x71 s ILE 55 CO 0.04 0.40 0.65 -0.31 0.00 0.00 0.00 174.94 175.72 1x71 s TYR 56 N 1.46 3.42 -0.54 3.97 2.02 0.40 -1.61 117.35 126.47 1x71 s TYR 56 Ca 0.05 -1.53 -0.23 0.00 -0.37 0.00 0.00 57.07 54.99 1x71 s TYR 56 Cb -0.15 -3.85 0.04 0.00 -0.40 0.00 0.00 41.96 37.61 1x71 s TYR 56 CO -0.01 -1.06 0.89 -1.83 -1.57 0.00 0.00 175.55 171.98 1x71 s GLU 57 N 1.21 3.30 -0.35 -0.62 4.04 -0.32 0.22 118.70 126.18 1x71 s GLU 57 Ca 0.11 -0.35 -0.28 0.00 0.04 0.00 0.00 54.97 54.48 1x71 s GLU 57 Cb -0.21 -4.06 -0.02 0.00 0.02 0.00 0.00 34.13 29.86 1x71 s GLU 57 CO -0.02 -1.44 1.88 -1.17 -1.84 0.00 0.00 175.26 172.67 1x71 s LEU 58 N 3.74 3.47 0.45 1.83 0.20 -1.26 -0.98 118.68 126.13 1x71 s LEU 58 Ca 0.28 1.26 -0.18 0.00 0.69 0.00 0.00 54.13 56.17 1x71 s LEU 58 Cb -0.14 -3.36 -0.10 0.00 -0.43 0.00 0.00 46.19 42.17 1x71 s LEU 58 CO 0.18 -1.86 0.93 -0.54 -0.29 0.00 0.00 176.35 174.77 1x71 s LYS 59 N 6.00 4.09 0.55 1.98 1.02 0.51 -4.93 119.74 128.95 1x71 s LYS 59 Ca 0.82 0.99 0.41 0.00 0.02 0.00 0.00 55.97 58.20 1x71 s LYS 59 Cb -0.22 -2.20 1.60 0.00 -0.52 0.00 0.00 37.83 36.49 1x71 s LYS 59 CO 0.32 -0.10 1.73 0.93 -0.92 0.00 0.00 175.35 177.32 1x71 h GLU 60 N 1.56 0.00 -0.01 1.68 4.39 -1.93 0.45 114.58 120.72 1x71 h GLU 60 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1x71 h GLU 60 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1x71 h GLU 60 CO 0.62 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.07 1x71 n ASP 61 N -4.09 0.12 0.00 1.42 5.68 -1.26 -4.90 116.55 113.52 1x71 n ASP 61 Ca 0.31 -1.38 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1x71 n ASP 61 Cb 1.47 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 41.45 1x71 n ASP 61 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1x71 n LYS 62 N -0.74 0.00 -2.45 0.11 -0.00 0.16 -5.04 118.16 110.20 1x71 n LYS 62 Ca 0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.22 1x71 n LYS 62 Cb 0.09 -1.44 0.09 0.00 -0.00 0.00 0.00 35.03 33.78 1x71 n LYS 62 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1x71 s SER 63 N -3.08 4.49 -0.12 -5.58 0.01 -1.25 -4.63 113.70 103.54 1x71 s SER 63 Ca 0.00 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.22 1x71 s SER 63 Cb 0.00 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.80 1x71 s SER 63 CO 0.00 -1.76 -0.22 -0.31 0.41 0.00 0.00 173.24 171.36 1x71 s TYR 64 N -3.17 2.63 -0.33 2.43 1.51 -0.39 -0.36 117.35 119.67 1x71 s TYR 64 Ca 0.64 -1.17 -0.18 0.00 -1.01 0.00 0.00 57.07 55.35 1x71 s TYR 64 Cb -0.07 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1x71 s TYR 64 CO 0.44 -0.51 0.49 1.21 -1.11 0.00 0.00 175.55 176.07 1x71 s ASN 65 N 0.59 6.31 -0.29 2.29 3.84 -0.15 -1.58 114.94 125.95 1x71 s ASN 65 Ca -0.12 0.04 -0.09 0.00 0.21 0.00 0.00 52.86 52.90 1x71 s ASN 65 Cb -0.17 -2.26 -0.01 0.00 -0.55 0.00 0.00 41.25 38.26 1x71 s ASN 65 CO 0.03 -0.42 0.13 -0.69 -2.79 0.00 0.00 177.10 173.36 1x71 s VAL 66 N 2.33 4.50 -0.08 -5.21 1.01 0.13 -1.17 120.40 121.91 1x71 s VAL 66 Ca 0.18 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1x71 s VAL 66 Cb -0.16 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 1x71 s VAL 66 CO 0.12 0.14 -0.23 0.28 0.00 0.00 0.00 175.10 175.41 1x71 s THR 67 N 1.61 1.97 -0.18 3.92 -1.32 -0.63 0.07 115.64 121.08 1x71 s THR 67 Ca 0.05 -0.99 -0.09 0.00 -1.21 0.00 0.00 61.69 59.45 1x71 s THR 67 Cb -0.17 -1.69 -0.05 0.00 -1.51 0.00 0.00 72.50 69.09 1x71 s THR 67 CO 0.05 0.54 0.12 -0.44 -2.21 0.00 0.00 174.62 172.69 1x71 s SER 68 N 0.16 6.15 -0.17 8.08 0.01 0.13 -0.60 113.70 127.47 1x71 s SER 68 Ca -0.12 0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1x71 s SER 68 Cb -0.16 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.03 1x71 s SER 68 CO 0.06 0.23 -0.20 -0.69 0.41 0.00 0.00 173.24 173.06 1x71 s VAL 69 N 0.06 2.01 0.10 3.43 1.01 0.29 -2.08 120.40 125.23 1x71 s VAL 69 Ca 0.09 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1x71 s VAL 69 Cb -0.11 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1x71 s VAL 69 CO -0.00 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 1x71 s LEU 70 N 1.23 2.35 -0.43 3.92 1.43 -0.59 -0.74 118.68 125.85 1x71 s LEU 70 Ca 0.03 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 1x71 s LEU 70 Cb -0.13 -0.58 0.04 0.00 0.03 0.00 0.00 46.19 45.55 1x71 s LEU 70 CO -0.11 -0.10 0.32 0.12 0.23 0.00 0.00 176.35 176.81 1x71 s PHE 71 N -1.75 3.25 0.02 0.29 5.99 -1.26 0.35 117.98 124.87 1x71 s PHE 71 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 56.93 56.18 1x71 s PHE 71 Cb -0.07 -2.81 -0.02 0.00 0.00 0.00 0.00 43.02 40.12 1x71 s PHE 71 CO 0.03 -0.69 -0.07 1.03 -0.00 0.00 0.00 175.22 175.52 1x71 s ARG 72 N 1.63 0.48 -1.64 10.12 1.81 -0.07 -4.86 118.95 126.42 1x71 s ARG 72 Ca 0.04 -0.51 -0.07 0.00 -1.72 0.00 0.00 55.73 53.47 1x71 s ARG 72 Cb -0.21 -0.34 0.07 0.00 -0.45 0.00 0.00 34.95 34.02 1x71 s ARG 72 CO 0.08 0.08 0.18 0.36 -0.68 0.00 0.00 175.30 175.32 1x71 n LYS 73 N 2.11 -0.87 -3.02 3.54 0.00 -1.26 -0.31 118.16 118.35 1x71 n LYS 73 Ca -0.18 0.10 -0.23 0.00 -0.00 0.00 0.00 58.31 58.00 1x71 n LYS 73 Cb 0.56 -3.89 0.03 0.00 -0.00 0.00 0.00 35.03 31.73 1x71 n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1x71 n LYS 74 N -4.40 -4.81 -3.85 -1.58 5.02 -1.26 -4.99 118.16 102.30 1x71 n LYS 74 Ca -0.19 0.90 -0.09 0.00 -2.02 0.00 0.00 58.31 56.91 1x71 n LYS 74 Cb 0.62 -5.76 -0.06 0.00 -0.02 0.00 0.00 35.03 29.81 1x71 n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x71 s LYS 75 N -5.71 1.07 -0.18 1.97 -0.14 0.58 -5.12 119.74 112.21 1x71 s LYS 75 Ca 0.30 -1.00 -0.19 0.00 -1.36 0.00 0.00 55.97 53.72 1x71 s LYS 75 Cb -0.13 0.40 -0.03 0.00 -1.68 0.00 0.00 37.83 36.38 1x71 s LYS 75 CO 0.37 -0.39 0.55 0.00 -0.76 0.00 0.00 175.35 175.12 1x71 s ASP 77 N 1.08 4.86 -0.18 0.00 3.68 0.15 -4.95 116.67 121.31 1x71 s ASP 77 Ca 0.26 -0.22 -0.02 0.00 2.13 0.00 0.00 52.55 54.70 1x71 s ASP 77 Cb -0.16 -1.84 -0.01 0.00 -1.45 0.00 0.00 42.92 39.47 1x71 s ASP 77 CO 0.10 0.04 -0.10 -0.31 0.13 0.00 0.00 175.17 175.03 1x71 s TYR 78 N 1.18 2.88 -0.12 -5.34 2.02 -1.25 -1.55 117.35 115.16 1x71 s TYR 78 Ca 0.03 -0.94 0.02 0.00 -0.37 0.00 0.00 57.07 55.81 1x71 s TYR 78 Cb -0.14 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 1x71 s TYR 78 CO 0.02 -0.47 -0.20 -1.58 -1.57 0.00 0.00 175.55 171.75 1x71 s TRP 79 N 1.03 2.44 -0.09 2.71 0.52 -0.88 -4.96 118.94 119.71 1x71 s TRP 79 Ca -0.00 -1.18 -0.00 0.00 0.02 0.00 0.00 56.10 54.94 1x71 s TRP 79 Cb -0.15 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.47 1x71 s TRP 79 CO -0.02 -0.54 -0.08 0.42 0.02 0.00 0.00 176.95 176.75 1x71 s ILE 80 N 0.79 3.59 0.12 2.03 1.09 -1.26 0.23 121.20 127.79 1x71 s ILE 80 Ca -0.09 -0.50 0.04 0.00 -1.10 0.00 0.00 60.65 59.00 1x71 s ILE 80 Cb -0.16 -2.49 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 1x71 s ILE 80 CO -0.00 0.56 -0.09 -0.13 -0.10 0.00 0.00 174.94 175.18 1x71 s ARG 81 N -0.38 0.94 -0.18 2.79 0.52 0.11 -5.00 118.95 117.76 1x71 s ARG 81 Ca 0.05 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 1x71 s ARG 81 Cb -0.12 -0.50 0.01 0.00 0.52 0.00 0.00 34.95 34.85 1x71 s ARG 81 CO 0.02 0.06 -0.16 0.99 0.02 0.00 0.00 175.30 176.23 1x71 s THR 82 N -3.12 2.43 -0.29 0.02 2.01 -1.26 0.17 115.64 115.60 1x71 s THR 82 Ca 0.12 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 1x71 s THR 82 Cb 0.01 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1x71 s THR 82 CO -0.01 0.51 0.14 -0.36 -0.69 0.00 0.00 174.62 174.21 1x71 s PHE 83 N 1.18 3.16 -0.15 4.92 2.99 -0.61 0.16 117.98 129.62 1x71 s PHE 83 Ca 0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 56.93 56.51 1x71 s PHE 83 Cb -0.14 -2.33 -0.04 0.00 0.00 0.00 0.00 43.02 40.51 1x71 s PHE 83 CO -0.07 -0.36 0.08 0.14 -0.00 0.00 0.00 175.22 175.00 1x71 s VAL 84 N 1.65 4.95 0.22 -0.44 -7.23 0.26 -1.26 120.40 118.54 1x71 s VAL 84 Ca 0.06 0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 59.93 1x71 s VAL 84 Cb -0.16 -3.19 -0.15 0.00 0.56 0.00 0.00 36.38 33.44 1x71 s VAL 84 CO 0.06 0.52 1.16 -2.65 -0.31 0.00 0.00 175.10 173.89 1x71 n PRO 85 N 2.92 1.38 -0.26 4.82 -0.02 -1.26 -0.66 135.00 141.92 1x71 n PRO 85 Ca -0.18 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1x71 n PRO 85 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1x71 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 86 N 1.79 2.00 0.25 -1.23 0.00 -0.79 -4.75 105.19 102.46 1x71 n GLY 86 Ca 0.13 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 44.11 1x71 n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x71 h SER 87 N 0.00 -0.14 -3.54 1.61 4.64 -1.95 -3.42 113.55 110.75 1x71 h SER 87 Ca 0.00 0.14 -0.66 0.00 -0.47 0.00 0.00 61.79 60.80 1x71 h SER 87 Cb 0.00 0.23 -0.15 0.00 -0.31 0.00 0.00 62.40 62.16 1x71 h SER 87 CO 0.00 -0.07 -0.73 -1.10 -0.87 0.00 0.00 176.83 174.06 1x71 s GLN 88 N -6.11 2.17 0.13 4.77 -1.52 -1.26 -5.07 119.66 112.76 1x71 s GLN 88 Ca -0.13 -1.01 -0.31 0.00 -1.95 0.00 0.00 55.36 51.96 1x71 s GLN 88 Cb 0.19 -2.33 -0.09 0.00 -0.22 0.00 0.00 33.01 30.57 1x71 s GLN 88 CO 0.74 0.51 1.52 -2.14 -0.25 0.00 0.00 175.29 175.68 1x71 s PRO 89 N -2.21 4.25 0.00 2.91 0.02 -1.26 -1.84 135.00 136.87 1x71 s PRO 89 Ca 0.22 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1x71 s PRO 89 Cb -0.11 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1x71 s PRO 89 CO 0.14 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.65 1x71 n GLY 90 N 3.71 1.29 3.76 0.52 0.00 -1.26 -4.50 105.19 108.71 1x71 n GLY 90 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1x71 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x71 s GLU 91 N -0.31 2.75 0.09 1.61 2.02 -0.77 -1.00 118.70 123.10 1x71 s GLU 91 Ca 0.00 -1.05 -0.13 0.00 0.02 0.00 0.00 54.97 53.81 1x71 s GLU 91 Cb 0.00 -2.50 0.02 0.00 0.10 0.00 0.00 34.13 31.75 1x71 s GLU 91 CO 0.00 0.43 0.32 -0.06 0.02 0.00 0.00 175.26 175.97 1x71 s PHE 92 N -1.96 -0.08 0.32 1.61 0.40 -0.12 -1.89 117.98 116.26 1x71 s PHE 92 Ca 0.31 -0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.50 1x71 s PHE 92 Cb -0.09 0.13 -0.06 0.00 0.51 0.00 0.00 43.02 43.51 1x71 s PHE 92 CO 0.23 -0.61 -0.09 0.95 0.70 0.00 0.00 175.22 176.40 1x71 s THR 93 N -3.50 2.03 -0.19 0.64 -4.23 0.17 -0.62 115.64 109.95 1x71 s THR 93 Ca 0.02 -2.19 -0.24 0.00 -1.18 0.00 0.00 61.69 58.10 1x71 s THR 93 Cb 0.02 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 1x71 s THR 93 CO -0.09 -0.25 0.76 -0.22 -0.54 0.00 0.00 174.62 174.28 1x71 s LEU 94 N -3.54 4.15 0.47 4.79 2.96 -1.26 -0.57 118.68 125.67 1x71 s LEU 94 Ca 0.31 1.04 -0.24 0.00 -0.22 0.00 0.00 54.13 55.02 1x71 s LEU 94 Cb 0.03 -3.11 -0.07 0.00 0.50 0.00 0.00 46.19 43.53 1x71 s LEU 94 CO 0.15 -0.37 1.31 -0.83 -1.32 0.00 0.00 176.35 175.28 1x71 s GLY 95 N 1.20 2.88 -1.59 7.98 0.00 0.43 -2.78 107.32 115.43 1x71 s GLY 95 Ca 0.35 1.23 -0.12 0.00 0.00 0.00 0.00 44.72 46.17 1x71 s GLY 95 CO 0.11 1.77 0.71 -2.01 0.00 0.00 0.00 173.10 173.68 1x71 n ASN 96 N -0.41 -2.66 0.00 1.64 2.85 -1.26 -4.63 115.26 110.78 1x71 n ASN 96 Ca 0.07 -0.97 0.17 0.00 -0.11 0.00 0.00 54.58 53.73 1x71 n ASN 96 Cb 0.45 -3.03 0.63 0.00 1.24 0.00 0.00 39.78 39.07 1x71 n ASN 96 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1x71 h ILE 97 N -1.69 0.80 0.00 -1.44 2.10 -1.92 -1.30 117.51 114.06 1x71 h ILE 97 Ca -0.60 -0.04 -0.01 0.00 1.08 0.00 0.00 64.86 65.29 1x71 h ILE 97 Cb 1.38 0.68 -0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1x71 h ILE 97 CO 0.72 0.02 -0.04 0.11 -1.08 0.00 0.00 178.15 177.88 1x71 h LYS 98 N 0.11 0.00 0.00 2.19 1.57 -1.88 -2.28 116.57 116.28 1x71 h LYS 98 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1x71 h LYS 98 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1x71 h LYS 98 CO -0.03 0.04 0.00 -1.13 -0.57 0.00 0.00 179.45 177.77 1x71 n SER 99 N -3.28 0.00 -4.52 0.86 3.41 -0.49 -4.64 113.62 104.96 1x71 n SER 99 Ca -0.01 0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 58.57 1x71 n SER 99 Cb 0.20 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.61 1x71 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1x71 s TYR 100 N -2.92 3.16 0.08 7.33 1.51 -0.86 -5.02 117.35 120.63 1x71 s TYR 100 Ca 0.14 -0.09 -0.35 0.00 -1.01 0.00 0.00 57.07 55.77 1x71 s TYR 100 Cb 0.16 -2.97 -0.14 0.00 -0.11 0.00 0.00 41.96 38.91 1x71 s TYR 100 CO 0.44 -0.65 1.61 -2.30 -1.11 0.00 0.00 175.55 173.54 1x71 n PRO 101 N 5.75 1.94 0.00 -1.71 -0.02 -1.26 -1.80 135.00 137.91 1x71 n PRO 101 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1x71 n PRO 101 Cb 0.48 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1x71 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 102 N 3.51 2.84 3.58 -1.23 0.00 -1.26 -4.95 105.19 107.67 1x71 n GLY 102 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1x71 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x71 s LEU 103 N 0.00 4.12 -0.03 0.99 2.96 -0.74 -2.41 118.68 123.57 1x71 s LEU 103 Ca 0.00 0.32 0.15 0.00 -0.22 0.00 0.00 54.13 54.38 1x71 s LEU 103 Cb 0.00 -3.06 -0.23 0.00 0.50 0.00 0.00 46.19 43.40 1x71 s LEU 103 CO 0.00 -0.79 0.31 0.35 -1.32 0.00 0.00 176.35 174.90 1x71 n THR 104 N 5.89 0.07 -3.79 3.68 -2.24 -0.29 -4.84 114.28 112.76 1x71 n THR 104 Ca 0.04 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1x71 n THR 104 Cb 0.48 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.73 1x71 n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x71 s SER 105 N -3.78 -0.15 -0.22 3.42 1.04 -1.15 -4.96 113.70 107.91 1x71 s SER 105 Ca -0.06 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.28 1x71 s SER 105 Cb 0.09 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.58 1x71 s SER 105 CO 0.61 -0.40 0.55 -0.47 0.98 0.00 0.00 173.24 174.51 1x71 s TYR 106 N -1.24 -0.78 -0.00 5.02 6.14 -1.26 -1.40 117.35 123.83 1x71 s TYR 106 Ca -0.13 1.66 -0.02 0.00 0.64 0.00 0.00 57.07 59.23 1x71 s TYR 106 Cb -0.06 0.39 -0.00 0.00 0.42 0.00 0.00 41.96 42.71 1x71 s TYR 106 CO 0.03 -0.40 0.03 -1.17 0.64 0.00 0.00 175.55 174.68 1x71 s LEU 107 N 1.19 1.95 -0.03 6.97 2.96 0.80 -4.35 118.68 128.17 1x71 s LEU 107 Ca -0.07 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1x71 s LEU 107 Cb -0.06 0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.81 1x71 s LEU 107 CO -0.12 -0.15 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.91 1x71 s VAL 108 N -0.63 1.32 -0.14 1.68 1.01 0.21 -1.57 120.40 122.28 1x71 s VAL 108 Ca -0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1x71 s VAL 108 Cb -0.04 -1.13 0.06 0.00 0.00 0.00 0.00 36.38 35.27 1x71 s VAL 108 CO -0.00 0.38 0.13 -0.60 0.00 0.00 0.00 175.10 175.01 1x71 s ARG 109 N -0.07 0.06 -0.38 2.72 6.06 0.89 -0.94 118.95 127.29 1x71 s ARG 109 Ca -0.01 0.20 -0.28 0.00 -2.50 0.00 0.00 55.73 53.14 1x71 s ARG 109 Cb -0.10 -1.13 -0.01 0.00 0.06 0.00 0.00 34.95 33.78 1x71 s ARG 109 CO 0.01 -0.53 1.67 0.08 -2.50 0.00 0.00 175.30 174.03 1x71 s VAL 110 N 2.22 3.61 -0.08 7.11 1.01 -0.17 -1.38 120.40 132.72 1x71 s VAL 110 Ca 0.04 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 1x71 s VAL 110 Cb -0.14 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.15 1x71 s VAL 110 CO -0.08 -0.57 1.03 0.58 0.00 0.00 0.00 175.10 176.06 1x71 h VAL 111 N 6.70 1.59 -2.58 2.92 2.07 -0.98 0.53 116.25 126.49 1x71 h VAL 111 Ca -0.31 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.36 1x71 h VAL 111 Cb 1.15 2.77 -0.21 0.00 -1.52 0.00 0.00 31.29 33.47 1x71 h VAL 111 CO 1.06 0.46 -0.10 -0.55 0.02 0.00 0.00 177.57 178.45 1x71 s SER 112 N -5.98 -0.44 -0.10 0.57 0.15 -0.73 -2.25 113.70 104.93 1x71 s SER 112 Ca -0.17 0.62 -0.31 0.00 0.70 0.00 0.00 55.95 56.79 1x71 s SER 112 Cb -0.01 0.66 0.12 0.00 -1.71 0.00 0.00 66.02 65.09 1x71 s SER 112 CO 0.69 -0.37 1.01 0.28 1.20 0.00 0.00 173.24 176.05 1x71 s THR 113 N -0.62 0.00 -0.02 6.45 -1.32 -1.26 0.29 115.64 119.16 1x71 s THR 113 Ca -0.07 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.43 1x71 s THR 113 Cb -0.03 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.99 1x71 s THR 113 CO 0.04 0.00 0.90 -0.46 -2.21 0.00 0.00 174.62 172.89 1x71 n ASN 114 N 0.04 1.48 0.00 8.08 0.23 -0.95 -5.02 115.26 119.13 1x71 n ASN 114 Ca -0.06 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1x71 n ASN 114 Cb 0.60 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1x71 n ASN 114 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1x71 n TYR 115 N -0.48 0.00 0.93 -2.53 4.01 -1.25 -4.37 117.16 113.47 1x71 n TYR 115 Ca 0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1x71 n TYR 115 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.37 1x71 n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1x71 n ASN 116 N 0.39 1.60 0.09 7.72 0.23 -1.26 -4.77 115.26 119.25 1x71 n ASN 116 Ca 0.00 -1.30 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1x71 n ASN 116 Cb 0.00 0.66 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 1x71 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x71 n GLN 117 N -0.53 0.00 -4.07 -3.83 6.02 -1.26 -4.74 117.38 108.97 1x71 n GLN 117 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.98 1x71 n GLN 117 Cb 0.40 -0.24 -0.10 0.00 1.02 0.00 0.00 30.24 31.32 1x71 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1x71 s HIS 118 N -1.88 0.48 0.06 1.08 -3.43 -1.26 0.16 115.29 110.49 1x71 s HIS 118 Ca 0.00 -0.96 -0.15 0.00 -0.80 0.00 0.00 55.06 53.15 1x71 s HIS 118 Cb 0.00 -0.36 0.03 0.00 -1.43 0.00 0.00 32.58 30.82 1x71 s HIS 118 CO 0.00 -0.34 0.34 0.00 -2.00 0.00 0.00 174.74 172.75 1x71 s ALA 119 N -3.43 -0.79 -0.10 -1.38 0.00 -0.49 -2.24 121.76 113.34 1x71 s ALA 119 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1x71 s ALA 119 Cb 0.04 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1x71 s ALA 119 CO -0.08 -0.47 -0.10 1.41 0.00 0.00 0.00 175.76 176.53 1x71 s MET 120 N -2.79 1.64 -0.07 0.00 1.75 0.15 0.17 119.30 120.14 1x71 s MET 120 Ca -0.03 -0.33 0.03 0.00 -1.25 0.00 0.00 55.69 54.11 1x71 s MET 120 Cb -0.00 -1.56 0.00 0.00 2.84 0.00 0.00 34.83 36.12 1x71 s MET 120 CO -0.05 -0.16 -0.17 0.08 -0.65 0.00 0.00 175.02 174.07 1x71 s VAL 121 N 1.32 1.50 -0.13 10.11 1.01 -0.72 -0.56 120.40 132.94 1x71 s VAL 121 Ca -0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1x71 s VAL 121 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1x71 s VAL 121 CO -0.04 0.43 0.06 0.12 0.00 0.00 0.00 175.10 175.67 1x71 s PHE 122 N 0.35 3.30 -0.07 5.22 2.19 -0.48 -1.41 117.98 127.08 1x71 s PHE 122 Ca -0.12 0.24 0.02 0.00 0.33 0.00 0.00 56.93 57.40 1x71 s PHE 122 Cb -0.15 -1.92 0.01 0.00 -1.31 0.00 0.00 43.02 39.65 1x71 s PHE 122 CO 0.05 0.43 -0.12 -0.06 1.83 0.00 0.00 175.22 177.35 1x71 s PHE 123 N -0.51 1.53 -0.03 10.12 0.08 -0.36 -0.08 117.98 128.72 1x71 s PHE 123 Ca 0.10 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1x71 s PHE 123 Cb -0.12 -1.13 0.01 0.00 -0.57 0.00 0.00 43.02 41.21 1x71 s PHE 123 CO 0.02 -0.32 -0.10 0.21 -0.10 0.00 0.00 175.22 174.93 1x71 s LYS 124 N 0.78 1.15 0.12 0.44 2.20 -0.61 -1.52 119.74 122.29 1x71 s LYS 124 Ca -0.12 -0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 55.12 1x71 s LYS 124 Cb -0.15 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 1x71 s LYS 124 CO 0.02 0.11 0.07 -1.59 -0.36 0.00 0.00 175.35 173.60 1x71 s LYS 125 N 0.28 0.89 -0.20 4.03 -2.85 -0.38 -0.14 119.74 121.37 1x71 s LYS 125 Ca -0.05 -1.34 0.00 0.00 -1.00 0.00 0.00 55.97 53.57 1x71 s LYS 125 Cb -0.10 0.26 0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1x71 s LYS 125 CO 0.01 -0.25 -0.05 0.08 0.10 0.00 0.00 175.35 175.23 1x71 s VAL 126 N -4.01 1.33 -0.03 1.79 1.01 -0.50 -0.53 120.40 119.46 1x71 s VAL 126 Ca 0.19 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1x71 s VAL 126 Cb 0.07 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1x71 s VAL 126 CO -0.01 0.00 -0.06 -0.94 0.00 0.00 0.00 175.10 174.10 1x71 s SER 127 N 1.51 0.95 -1.30 3.32 1.04 -0.69 -1.14 113.70 117.39 1x71 s SER 127 Ca -0.03 -0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.22 1x71 s SER 127 Cb -0.17 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.58 1x71 s SER 127 CO -0.07 -0.01 0.65 0.00 0.98 0.00 0.00 173.24 174.79 1x71 n GLN 128 N 3.73 -4.89 -1.17 4.02 1.13 -1.01 -1.50 117.38 117.69 1x71 n GLN 128 Ca -0.22 0.77 -0.09 0.00 -1.94 0.00 0.00 57.00 55.52 1x71 n GLN 128 Cb 0.52 -5.40 -0.04 0.00 0.11 0.00 0.00 30.24 25.44 1x71 n GLN 128 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x71 n ASN 129 N -2.04 -4.76 -4.77 1.08 4.13 -1.26 -4.96 115.26 102.68 1x71 n ASN 129 Ca -0.07 0.22 -0.34 0.00 1.68 0.00 0.00 54.58 56.06 1x71 n ASN 129 Cb 0.59 -3.55 -0.08 0.00 -1.54 0.00 0.00 39.78 35.21 1x71 n ASN 129 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x71 s ARG 130 N -2.57 3.12 -0.30 3.52 0.52 -0.56 -5.07 118.95 117.61 1x71 s ARG 130 Ca 0.00 -0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 54.65 1x71 s ARG 130 Cb 0.00 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 1x71 s ARG 130 CO 0.00 0.69 0.48 -2.00 0.02 0.00 0.00 175.30 174.49 1x71 s GLU 131 N -1.32 3.88 0.17 3.54 2.12 -1.26 -1.70 118.70 124.12 1x71 s GLU 131 Ca 0.18 0.06 0.09 0.00 0.36 0.00 0.00 54.97 55.66 1x71 s GLU 131 Cb -0.12 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 1x71 s GLU 131 CO 0.08 -0.45 -0.14 0.71 -0.54 0.00 0.00 175.26 174.92 1x71 s TYR 132 N 2.28 2.55 0.10 5.30 1.51 0.31 -4.74 117.35 124.66 1x71 s TYR 132 Ca 0.18 -0.25 -0.15 0.00 -1.01 0.00 0.00 57.07 55.84 1x71 s TYR 132 Cb -0.16 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1x71 s TYR 132 CO 0.11 0.48 0.35 -0.59 -1.11 0.00 0.00 175.55 174.79 1x71 s PHE 133 N -1.56 -0.14 0.12 2.71 -0.71 -1.26 -1.25 117.98 115.89 1x71 s PHE 133 Ca 0.22 -0.15 -0.25 0.00 -1.04 0.00 0.00 56.93 55.72 1x71 s PHE 133 Cb -0.09 0.18 0.08 0.00 -1.21 0.00 0.00 43.02 41.98 1x71 s PHE 133 CO 0.13 -0.64 0.68 -1.59 -1.34 0.00 0.00 175.22 172.46 1x71 s LYS 134 N -3.53 1.17 -0.06 1.99 -2.85 -0.58 -2.00 119.74 113.88 1x71 s LYS 134 Ca 0.02 -0.44 0.03 0.00 -1.00 0.00 0.00 55.97 54.58 1x71 s LYS 134 Cb 0.02 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 1x71 s LYS 134 CO -0.10 -0.51 -0.13 0.42 0.10 0.00 0.00 175.35 175.13 1x71 s ILE 135 N -3.58 1.18 -0.10 3.79 1.09 0.27 -1.23 121.20 122.63 1x71 s ILE 135 Ca 0.02 -0.52 -0.01 0.00 -1.10 0.00 0.00 60.65 59.04 1x71 s ILE 135 Cb -0.01 -1.07 -0.03 0.00 -1.06 0.00 0.00 42.46 40.29 1x71 s ILE 135 CO -0.11 0.36 -0.04 0.42 -0.10 0.00 0.00 174.94 175.47 1x71 s THR 136 N 0.53 3.91 -0.39 2.92 -4.23 -0.50 -0.72 115.64 117.16 1x71 s THR 136 Ca -0.12 -0.39 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 1x71 s THR 136 Cb -0.15 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1x71 s THR 136 CO 0.03 0.57 0.28 -0.22 -0.54 0.00 0.00 174.62 174.75 1x71 s LEU 137 N -0.52 4.91 0.03 4.79 0.20 0.25 -1.75 118.68 126.59 1x71 s LEU 137 Ca 0.08 -0.75 -0.06 0.00 0.69 0.00 0.00 54.13 54.09 1x71 s LEU 137 Cb -0.12 -2.15 -0.05 0.00 -0.43 0.00 0.00 46.19 43.44 1x71 s LEU 137 CO 0.02 -0.38 0.28 -0.31 -0.29 0.00 0.00 176.35 175.67 1x71 s TYR 138 N 1.69 3.56 -0.03 5.38 2.02 0.44 -1.46 117.35 128.96 1x71 s TYR 138 Ca 0.05 0.56 0.03 0.00 -0.37 0.00 0.00 57.07 57.34 1x71 s TYR 138 Cb -0.18 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1x71 s TYR 138 CO 0.10 0.59 -0.11 0.20 -1.57 0.00 0.00 175.55 174.76 1x71 s GLY 139 N -1.84 0.63 0.32 0.71 0.00 0.03 -1.39 107.32 105.77 1x71 s GLY 139 Ca 0.30 -0.42 0.11 0.00 0.00 0.00 0.00 44.72 44.70 1x71 s GLY 139 CO 0.18 -0.15 1.72 -0.09 0.00 0.00 0.00 173.10 174.75 1x71 h ARG 140 N 6.35 0.04 -5.94 2.90 9.65 0.12 0.23 114.38 127.73 1x71 h ARG 140 Ca -0.33 -0.02 -0.56 0.00 -1.10 0.00 0.00 59.98 57.97 1x71 h ARG 140 Cb 1.17 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.69 1x71 h ARG 140 CO 0.48 0.51 -0.42 0.95 2.80 0.00 0.00 179.97 184.30 1x71 s THR 141 N -3.93 2.16 -1.36 0.20 -4.23 -1.26 -4.72 115.64 102.50 1x71 s THR 141 Ca -0.02 -1.57 0.26 0.00 -1.18 0.00 0.00 61.69 59.18 1x71 s THR 141 Cb 0.13 -2.73 0.42 0.00 1.34 0.00 0.00 72.50 71.67 1x71 s THR 141 CO 0.75 0.00 1.89 0.29 -0.54 0.00 0.00 174.62 177.01 1x71 n LYS 142 N -1.46 0.31 -4.17 3.99 5.02 -1.26 -4.62 118.16 115.98 1x71 n LYS 142 Ca -0.01 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 1x71 n LYS 142 Cb 0.64 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 1x71 n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x71 s GLU 143 N -2.64 0.82 -0.27 1.97 2.02 -1.26 -4.86 118.70 114.48 1x71 s GLU 143 Ca 0.23 -1.23 -0.23 0.00 0.02 0.00 0.00 54.97 53.77 1x71 s GLU 143 Cb 0.18 -0.35 0.07 0.00 0.10 0.00 0.00 34.13 34.13 1x71 s GLU 143 CO 0.42 0.03 0.71 -0.51 0.02 0.00 0.00 175.26 175.92 1x71 s LEU 144 N -2.71 -0.79 1.00 1.80 1.43 -1.26 -4.94 118.68 113.22 1x71 s LEU 144 Ca 0.08 1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 54.44 1x71 s LEU 144 Cb 0.01 2.43 -0.12 0.00 0.03 0.00 0.00 46.19 48.54 1x71 s LEU 144 CO -0.02 -0.25 -0.82 0.41 0.23 0.00 0.00 176.35 175.90 1x71 n THR 145 N 3.11 0.00 -0.30 5.49 -1.04 -1.26 -4.58 114.28 115.70 1x71 n THR 145 Ca -0.16 -0.29 -0.04 0.00 -2.04 0.00 0.00 64.05 61.52 1x71 n THR 145 Cb 0.56 -0.13 0.08 0.00 -1.82 0.00 0.00 70.33 69.02 1x71 n THR 145 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1x71 h SER 146 N -1.16 0.99 0.05 8.00 0.02 -2.01 0.12 113.55 119.56 1x71 h SER 146 Ca -0.43 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1x71 h SER 146 Cb 1.33 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1x71 h SER 146 CO 0.25 0.77 -0.02 -0.33 -1.14 0.00 0.00 176.83 176.35 1x71 h GLU 147 N 1.13 -0.06 0.22 3.45 3.07 -1.99 0.34 114.58 120.74 1x71 h GLU 147 Ca 0.30 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1x71 h GLU 147 Cb -0.04 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1x71 h GLU 147 CO -0.06 0.02 -0.11 -0.07 -1.40 0.00 0.00 179.01 177.40 1x71 h LEU 148 N -0.13 -0.25 -2.18 1.33 3.38 -1.85 -1.20 115.31 114.40 1x71 h LEU 148 Ca -0.01 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1x71 h LEU 148 Cb 0.11 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1x71 h LEU 148 CO 0.01 -0.08 0.27 0.11 0.09 0.00 0.00 178.44 178.84 1x71 h LYS 149 N -0.41 0.00 0.20 1.13 1.57 -0.64 -1.78 116.57 116.64 1x71 h LYS 149 Ca -0.03 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.42 1x71 h LYS 149 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.64 1x71 h LYS 149 CO 0.05 0.00 -1.54 1.05 -0.57 0.00 0.00 179.45 178.44 1x71 h GLU 150 N 0.00 0.42 -0.38 3.15 4.11 0.44 -2.62 114.58 119.70 1x71 h GLU 150 Ca 0.09 -0.72 0.08 0.00 0.07 0.00 0.00 59.36 58.89 1x71 h GLU 150 Cb 0.63 0.27 -0.08 0.00 0.50 0.00 0.00 28.75 30.06 1x71 h GLU 150 CO -0.00 1.33 -0.20 -0.97 0.07 0.00 0.00 179.01 179.24 1x71 h ASN 151 N 0.11 -0.66 0.33 3.06 -0.00 -0.37 0.63 115.58 118.68 1x71 h ASN 151 Ca -0.26 0.15 -0.00 0.00 -0.00 0.00 0.00 56.30 56.18 1x71 h ASN 151 Cb 2.10 0.35 -0.02 0.00 -0.00 0.00 0.00 38.32 40.76 1x71 h ASN 151 CO 0.22 -0.23 -0.29 0.15 -0.00 0.00 0.00 177.43 177.28 1x71 h PHE 152 N -0.13 -0.78 -0.26 0.67 3.04 -1.54 0.60 116.94 118.54 1x71 h PHE 152 Ca 0.19 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.15 1x71 h PHE 152 Cb 0.42 0.30 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 1x71 h PHE 152 CO -0.42 -0.43 0.14 0.82 -2.02 0.00 0.00 178.31 176.40 1x71 h ILE 153 N -0.64 1.02 -0.41 1.41 2.04 -1.05 0.92 117.51 120.79 1x71 h ILE 153 Ca -0.02 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1x71 h ILE 153 Cb 0.57 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1x71 h ILE 153 CO -0.04 0.05 0.24 -0.09 0.00 0.00 0.00 178.15 178.32 1x71 h ARG 154 N 0.30 0.57 -0.24 2.37 2.43 0.61 0.14 114.38 120.55 1x71 h ARG 154 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1x71 h ARG 154 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1x71 h ARG 154 CO -0.05 0.44 0.15 0.35 -1.51 0.00 0.00 179.97 179.35 1x71 h PHE 155 N 0.54 0.32 -0.79 2.20 3.57 0.75 0.21 116.94 123.73 1x71 h PHE 155 Ca 0.15 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1x71 h PHE 155 Cb 0.02 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1x71 h PHE 155 CO -0.03 0.23 0.47 0.77 -2.23 0.00 0.00 178.31 177.52 1x71 h SER 156 N 0.31 0.71 0.78 0.41 0.02 0.13 -0.52 113.55 115.39 1x71 h SER 156 Ca 0.09 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1x71 h SER 156 Cb -0.00 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1x71 h SER 156 CO -0.02 0.44 -0.59 0.11 -1.14 0.00 0.00 176.83 175.63 1x71 h LYS 157 N 0.84 0.00 0.00 3.45 1.57 -0.40 -2.06 116.57 119.97 1x71 h LYS 157 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1x71 h LYS 157 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1x71 h LYS 157 CO -0.20 0.59 0.00 0.66 -0.57 0.00 0.00 179.45 179.93 1x71 h SER 158 N 0.00 0.00 -0.65 0.86 4.64 0.69 -1.34 113.55 117.75 1x71 h SER 158 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1x71 h SER 158 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1x71 h SER 158 CO 0.08 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 1x71 n LEU 159 N -2.80 3.49 0.00 5.97 4.77 -0.86 -4.91 117.00 122.66 1x71 n LEU 159 Ca -0.00 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 1x71 n LEU 159 Cb 0.19 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1x71 n LEU 159 CO 0.22 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 1x71 n GLY 160 N 1.52 0.55 3.70 -0.72 0.00 -0.51 -4.50 105.19 105.23 1x71 n GLY 160 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1x71 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x71 s LEU 161 N 0.00 4.23 0.70 0.99 1.43 -0.83 -4.99 118.68 120.21 1x71 s LEU 161 Ca 0.00 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 1x71 s LEU 161 Cb 0.00 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1x71 s LEU 161 CO 0.00 -0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.43 1x71 s PRO 162 N 1.04 2.83 0.47 1.29 0.04 -1.26 -3.64 135.00 135.77 1x71 s PRO 162 Ca 0.26 0.41 0.20 0.00 0.04 0.00 0.00 61.00 61.91 1x71 s PRO 162 Cb -0.15 -2.04 1.19 0.00 0.04 0.00 0.00 34.50 33.54 1x71 s PRO 162 CO 0.10 -1.03 1.95 1.49 0.04 0.00 0.00 177.00 179.55 1x71 h GLU 163 N -0.64 0.25 0.00 4.56 4.57 -1.97 -1.65 114.58 119.70 1x71 h GLU 163 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1x71 h GLU 163 Cb 1.26 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1x71 h GLU 163 CO 0.64 0.16 0.00 0.27 -1.18 0.00 0.00 179.01 178.90 1x71 n ASN 164 N -4.44 0.50 -1.01 1.04 0.23 -1.26 -1.87 115.26 108.46 1x71 n ASN 164 Ca 0.13 0.66 0.08 0.00 -0.53 0.00 0.00 54.58 54.92 1x71 n ASN 164 Cb 0.56 -0.75 0.24 0.00 -2.08 0.00 0.00 39.78 37.76 1x71 n ASN 164 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1x71 n HIS 165 N -2.09 0.82 -4.98 -2.53 8.25 -0.62 -0.16 115.22 113.90 1x71 n HIS 165 Ca 0.01 -0.56 -0.32 0.00 -0.26 0.00 0.00 57.72 56.59 1x71 n HIS 165 Cb 0.15 -0.09 -0.15 0.00 1.12 0.00 0.00 29.99 31.02 1x71 n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x71 s ILE 166 N -1.32 2.65 0.06 1.59 1.01 -0.78 -2.16 121.20 122.23 1x71 s ILE 166 Ca 0.37 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1x71 s ILE 166 Cb 0.21 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1x71 s ILE 166 CO 0.21 0.55 -0.09 -0.69 0.00 0.00 0.00 174.94 174.92 1x71 s VAL 167 N 0.15 0.69 -0.46 2.92 1.01 0.22 -4.66 120.40 120.28 1x71 s VAL 167 Ca -0.09 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 60.66 1x71 s VAL 167 Cb -0.16 -0.87 0.13 0.00 0.00 0.00 0.00 36.38 35.48 1x71 s VAL 167 CO 0.06 -0.42 0.22 -0.36 0.00 0.00 0.00 175.10 174.59 1x71 s PHE 168 N -1.69 2.72 0.28 5.22 0.40 -1.26 -0.34 117.98 123.31 1x71 s PHE 168 Ca -0.05 -2.79 -0.28 0.00 -0.60 0.00 0.00 56.93 53.21 1x71 s PHE 168 Cb -0.08 -2.42 -0.14 0.00 0.51 0.00 0.00 43.02 40.89 1x71 s PHE 168 CO 0.00 -0.79 0.95 -2.30 0.70 0.00 0.00 175.22 173.78 1x71 n PRO 169 N 3.51 1.19 -2.64 0.24 -0.02 -1.25 -4.92 135.00 131.12 1x71 n PRO 169 Ca 0.06 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1x71 n PRO 169 Cb 0.35 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 1x71 n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1x71 s VAL 170 N -1.06 4.68 0.91 -1.45 -7.23 -0.74 -4.65 120.40 110.86 1x71 s VAL 170 Ca 0.59 1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 62.60 1x71 s VAL 170 Cb -0.72 -4.25 0.14 0.00 0.56 0.00 0.00 36.38 32.11 1x71 s VAL 170 CO 0.59 0.05 1.10 -2.65 -0.31 0.00 0.00 175.10 173.88 1x71 n PRO 171 N 4.66 -0.41 -3.82 4.82 -0.02 -1.26 -0.36 135.00 138.61 1x71 n PRO 171 Ca 0.08 -0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 1x71 n PRO 171 Cb 0.49 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 1x71 n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1x71 s ILE 172 N -2.59 0.02 -0.04 4.25 -4.36 -1.26 -4.73 121.20 112.49 1x71 s ILE 172 Ca 0.67 -0.96 0.14 0.00 -0.26 0.00 0.00 60.65 60.23 1x71 s ILE 172 Cb -0.23 -1.78 -0.21 0.00 1.25 0.00 0.00 42.46 41.48 1x71 s ILE 172 CO 0.58 -0.08 0.27 0.47 0.24 0.00 0.00 174.94 176.42 1x71 n ASP 173 N -0.36 1.73 -4.79 4.36 8.00 -1.26 -4.86 116.55 119.37 1x71 n ASP 173 Ca -0.07 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.09 1x71 n ASP 173 Cb 0.62 1.51 -0.01 0.00 -0.02 0.00 0.00 41.12 43.22 1x71 n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x71 s GLN 174 N -2.87 3.48 0.00 -1.24 1.11 -1.26 -4.25 119.66 114.62 1x71 s GLN 174 Ca -0.05 1.43 0.00 0.00 0.01 0.00 0.00 55.36 56.74 1x71 s GLN 174 Cb 0.08 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 30.04 1x71 s GLN 174 CO 0.59 -0.71 0.00 0.00 0.01 0.00 0.00 175.29 175.17 1x71 n ILE 176 N 0.00 0.05 -0.17 0.00 -5.35 -1.26 -4.96 119.36 107.68 1x71 n ILE 176 Ca 0.00 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1x71 n ILE 176 Cb 0.00 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.88 1x71 n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26