#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lwg n GLY 11 N 0.00 2.98 3.66 -1.84 0.00 -1.26 -5.06 105.19 103.68 3lwg n GLY 11 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3lwg n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lwg s LEU 12 N 0.00 4.14 0.00 0.99 2.96 -1.26 -4.93 118.68 120.58 3lwg s LEU 12 Ca 0.00 1.24 0.26 0.00 -0.22 0.00 0.00 54.13 55.41 3lwg s LEU 12 Cb 0.00 -3.34 0.57 0.00 0.50 0.00 0.00 46.19 43.92 3lwg s LEU 12 CO 0.00 -0.50 1.47 0.18 -1.32 0.00 0.00 176.35 176.18 3lwg n LEU 13 N 5.65 2.19 -4.41 -0.68 4.77 -1.26 -4.99 117.00 118.27 3lwg n LEU 13 Ca 0.07 -0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 55.12 3lwg n LEU 13 Cb 0.48 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3lwg n LEU 13 CO 0.49 0.37 -0.33 0.68 -1.33 0.00 0.00 177.39 177.27 3lwg s VAL 14 N -2.06 1.38 -1.51 4.08 -7.23 -1.26 -4.36 120.40 109.44 3lwg s VAL 14 Ca 0.31 -2.07 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 3lwg s VAL 14 Cb 0.20 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.70 3lwg s VAL 14 CO 0.35 -0.23 0.77 0.00 -0.31 0.00 0.00 175.10 175.67 3lwg h THR 16 N -1.86 0.00 -0.01 0.00 1.35 -1.95 -2.37 112.91 108.07 3lwg h THR 16 Ca -0.60 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3lwg h THR 16 Cb 1.37 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3lwg h THR 16 CO 0.67 0.00 -0.06 0.54 -0.25 0.00 0.00 175.52 176.42 3lwg n ARG 17 N -2.52 1.03 -2.11 4.72 5.12 -1.26 -5.00 116.66 116.65 3lwg n ARG 17 Ca 0.01 -1.10 -0.42 0.00 -1.93 0.00 0.00 57.85 54.41 3lwg n ARG 17 Cb 0.25 -1.21 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 3lwg n ARG 17 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3lwg s LEU 18 N -1.21 4.32 -0.59 0.55 2.96 -0.89 -4.95 118.68 118.87 3lwg s LEU 18 Ca 0.13 2.20 -0.28 0.00 -0.22 0.00 0.00 54.13 55.96 3lwg s LEU 18 Cb 0.10 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.27 3lwg s LEU 18 CO 0.19 -0.82 1.18 -0.62 -1.32 0.00 0.00 176.35 174.96 3lwg s ASP 19 N 2.47 6.42 0.45 3.68 2.15 -1.26 -4.88 116.67 125.70 3lwg s ASP 19 Ca 0.68 0.04 0.11 0.00 0.43 0.00 0.00 52.55 53.81 3lwg s ASP 19 Cb -0.33 -2.55 1.00 0.00 -0.30 0.00 0.00 42.92 40.75 3lwg s ASP 19 CO 0.28 -1.49 2.08 1.56 -0.17 0.00 0.00 175.17 177.42 3lwg h GLN 20 N 9.56 0.36 0.00 4.34 4.20 -1.93 -1.53 115.11 130.12 3lwg h GLN 20 Ca -0.25 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 3lwg h GLN 20 Cb 1.06 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 3lwg h GLN 20 CO 1.19 0.24 -0.01 -0.91 -0.67 0.00 0.00 178.83 178.67 3lwg h ASN 21 N 0.37 0.00 0.01 1.46 2.35 -1.90 -1.02 115.58 116.86 3lwg h ASN 21 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3lwg h ASN 21 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3lwg h ASN 21 CO -0.03 0.01 -0.21 0.18 -1.65 0.00 0.00 177.43 175.74 3lwg n LEU 22 N -4.00 2.19 0.00 1.61 4.77 -0.59 -4.81 117.00 116.17 3lwg n LEU 22 Ca -0.03 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3lwg n LEU 22 Cb 0.09 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3lwg n LEU 22 CO 0.29 0.38 0.00 0.00 -1.33 0.00 0.00 177.39 176.73 3lwg s ALA 24 N -2.00 -2.13 -0.03 0.00 0.00 -0.88 -4.63 121.76 112.09 3lwg s ALA 24 Ca 0.00 1.79 -0.22 0.00 0.00 0.00 0.00 51.96 53.53 3lwg s ALA 24 Cb 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 3lwg s ALA 24 CO 0.00 -0.48 0.66 -1.21 0.00 0.00 0.00 175.76 174.73 3lwg s GLU 25 N -1.89 4.40 -0.04 0.00 0.41 -0.27 -4.67 118.70 116.64 3lwg s GLU 25 Ca 0.10 0.83 -0.30 0.00 -0.41 0.00 0.00 54.97 55.18 3lwg s GLU 25 Cb -0.01 -3.40 -0.04 0.00 -1.78 0.00 0.00 34.13 28.90 3lwg s GLU 25 CO -0.04 0.20 1.21 -1.17 -0.49 0.00 0.00 175.26 174.97 3lwg s LEU 26 N 0.34 4.29 -0.27 1.80 2.96 -1.26 -0.55 118.68 125.99 3lwg s LEU 26 Ca 0.35 1.84 -0.05 0.00 -0.22 0.00 0.00 54.13 56.05 3lwg s LEU 26 Cb -0.18 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.80 3lwg s LEU 26 CO 0.18 -0.58 -0.28 -0.38 -1.32 0.00 0.00 176.35 173.97 3lwg n ILE 27 N 4.55 1.51 -3.44 6.68 2.08 0.34 -4.94 119.36 126.13 3lwg n ILE 27 Ca 0.11 -0.49 -0.12 0.00 0.56 0.00 0.00 62.75 62.80 3lwg n ILE 27 Cb 0.46 -1.61 -0.03 0.00 -0.75 0.00 0.00 39.64 37.71 3lwg n ILE 27 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3lwg s SER 28 N -6.94 -0.55 0.11 4.38 1.04 -1.00 -4.97 113.70 105.77 3lwg s SER 28 Ca -0.37 0.10 -0.25 0.00 0.48 0.00 0.00 55.95 55.91 3lwg s SER 28 Cb 0.11 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.87 3lwg s SER 28 CO 0.55 -0.87 0.72 0.72 0.98 0.00 0.00 173.24 175.34 3lwg s PHE 29 N -3.32 -0.43 0.00 5.02 -0.12 -1.26 -1.21 117.98 116.67 3lwg s PHE 29 Ca -0.00 0.22 0.00 0.00 -0.05 0.00 0.00 56.93 57.10 3lwg s PHE 29 Cb -0.01 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 3lwg s PHE 29 CO -0.09 -0.78 0.00 0.41 -0.05 0.00 0.00 175.22 174.71 3lwg n GLY 30 N -0.35 4.19 3.68 1.99 0.00 -0.48 -4.97 105.19 109.24 3lwg n GLY 30 Ca -0.13 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 3lwg n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3lwg n SER 31 N 0.00 -5.25 -0.78 1.61 7.64 -1.26 -2.02 113.62 113.56 3lwg n SER 31 Ca 0.00 -0.62 -0.09 0.00 1.01 0.00 0.00 58.87 59.17 3lwg n SER 31 Cb 0.00 -4.19 -0.02 0.00 -1.01 0.00 0.00 64.21 58.99 3lwg n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3lwg n GLY 32 N -1.69 0.61 3.14 0.23 0.00 -1.23 -4.96 105.19 101.30 3lwg n GLY 32 Ca 0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 3lwg n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lwg s LYS 33 N -3.43 0.73 -0.06 1.61 1.02 -0.85 -1.16 119.74 117.60 3lwg s LYS 33 Ca 0.00 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.56 3lwg s LYS 33 Cb 0.00 0.27 0.09 0.00 -0.52 0.00 0.00 37.83 37.67 3lwg s LYS 33 CO 0.00 -0.19 0.79 0.00 -0.92 0.00 0.00 175.35 175.04 3lwg s ALA 34 N -3.91 -1.81 -0.04 5.17 0.00 -0.76 -1.38 121.76 119.03 3lwg s ALA 34 Ca 0.07 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.37 3lwg s ALA 34 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3lwg s ALA 34 CO -0.09 -0.41 -0.13 0.99 0.00 0.00 0.00 175.76 176.11 3lwg s THR 35 N -1.57 1.12 0.21 0.00 2.01 -0.35 -0.13 115.64 116.93 3lwg s THR 35 Ca -0.06 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.49 3lwg s THR 35 Cb -0.00 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 3lwg s THR 35 CO 0.04 0.34 -0.12 0.68 -0.69 0.00 0.00 174.62 174.86 3lwg s VAL 36 N 0.25 1.64 -0.09 3.82 -7.23 -0.62 -0.51 120.40 117.65 3lwg s VAL 36 Ca -0.06 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 57.93 3lwg s VAL 36 Cb -0.11 -2.08 0.02 0.00 0.56 0.00 0.00 36.38 34.77 3lwg s VAL 36 CO 0.02 -0.57 -0.07 0.00 -0.31 0.00 0.00 175.10 174.17 3lwg s LEU 38 N 1.48 4.06 -0.46 0.00 2.96 -0.02 -1.11 118.68 125.59 3lwg s LEU 38 Ca -0.00 0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 54.07 3lwg s LEU 38 Cb -0.13 -2.35 0.11 0.00 0.50 0.00 0.00 46.19 44.32 3lwg s LEU 38 CO -0.05 -0.12 0.33 -0.89 -1.32 0.00 0.00 176.35 174.30 3lwg s THR 39 N 1.79 4.20 0.40 3.68 2.01 -1.26 -0.72 115.64 125.74 3lwg s THR 39 Ca 0.13 -1.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.13 3lwg s THR 39 Cb -0.15 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 3lwg s THR 39 CO 0.09 -0.74 1.34 -2.84 -0.69 0.00 0.00 174.62 171.78 3lwg s PRO 40 N 1.37 3.97 0.31 4.92 0.02 -1.26 -4.86 135.00 139.47 3lwg s PRO 40 Ca 0.05 2.24 0.09 0.00 0.02 0.00 0.00 61.00 63.40 3lwg s PRO 40 Cb -0.26 -2.79 -0.05 0.00 0.02 0.00 0.00 34.50 31.43 3lwg s PRO 40 CO -0.00 -0.52 0.03 0.15 -0.33 0.00 0.00 177.00 176.33 3lwg s LYS 41 N -2.22 2.23 0.41 5.54 1.02 -1.26 -2.60 119.74 122.87 3lwg s LYS 41 Ca 0.56 -1.56 0.08 0.00 0.02 0.00 0.00 55.97 55.07 3lwg s LYS 41 Cb -0.40 -2.09 0.86 0.00 -0.52 0.00 0.00 37.83 35.68 3lwg s LYS 41 CO 0.52 0.23 2.04 0.93 -0.92 0.00 0.00 175.35 178.14 3lwg h GLU 42 N 1.78 0.48 0.00 1.68 5.08 -2.00 -0.55 114.58 121.05 3lwg h GLU 42 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3lwg h GLU 42 Cb 1.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3lwg h GLU 42 CO 0.63 0.35 0.00 0.27 -1.00 0.00 0.00 179.01 179.26 3lwg h PHE 43 N 0.49 0.00 -0.01 4.33 -0.00 -2.02 -1.89 116.94 117.84 3lwg h PHE 43 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.10 3lwg h PHE 43 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.96 3lwg h PHE 43 CO 0.00 0.00 -0.06 -1.33 -0.00 0.00 0.00 178.31 176.92 3lwg n MET 44 N -2.43 1.27 -2.56 6.09 2.81 -0.21 -4.94 117.12 117.15 3lwg n MET 44 Ca -0.00 -0.61 -0.41 0.00 -1.81 0.00 0.00 57.70 54.87 3lwg n MET 44 Cb 0.12 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.10 3lwg n MET 44 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3lwg s LEU 45 N -2.15 4.54 -0.11 4.03 1.43 -0.71 -0.52 118.68 125.18 3lwg s LEU 45 Ca 0.36 2.10 -0.06 0.00 -1.03 0.00 0.00 54.13 55.49 3lwg s LEU 45 Cb 0.21 -3.61 -0.26 0.00 0.03 0.00 0.00 46.19 42.55 3lwg s LEU 45 CO 0.39 -0.11 0.39 0.00 0.23 0.00 0.00 176.35 177.25 3lwg n ALA 46 N 1.87 0.88 -2.33 4.21 0.00 -0.04 -4.64 120.51 120.47 3lwg n ALA 46 Ca 0.01 -0.58 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 3lwg n ALA 46 Cb 0.46 -0.70 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 3lwg n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3lwg s GLU 47 N -2.56 1.49 0.48 0.00 0.41 -1.00 -5.01 118.70 112.51 3lwg s GLU 47 Ca -0.22 -1.83 0.23 0.00 -0.41 0.00 0.00 54.97 52.74 3lwg s GLU 47 Cb 0.07 -0.19 1.26 0.00 -1.78 0.00 0.00 34.13 33.48 3lwg s GLU 47 CO 0.78 -0.36 1.90 -0.44 -0.49 0.00 0.00 175.26 176.65 3lwg h ASP 48 N 2.31 0.20 -0.02 -0.19 3.32 -2.01 -2.89 116.42 117.14 3lwg h ASP 48 Ca -0.36 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3lwg h ASP 48 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3lwg h ASP 48 CO 0.57 0.09 0.00 -0.90 -1.72 0.00 0.00 179.24 177.28 3lwg n ASP 49 N -4.41 2.41 -3.67 6.45 5.75 -1.26 -4.81 116.55 117.00 3lwg n ASP 49 Ca 0.16 -2.89 -0.09 0.00 -0.01 0.00 0.00 54.79 51.96 3lwg n ASP 49 Cb 0.73 -0.37 -0.09 0.00 -1.03 0.00 0.00 41.12 40.36 3lwg n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3lwg s VAL 50 N -2.55 -0.06 0.30 2.12 0.11 -1.09 -4.64 120.40 114.59 3lwg s VAL 50 Ca 0.27 0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 59.09 3lwg s VAL 50 Cb 0.24 -0.80 -0.09 0.00 -1.53 0.00 0.00 36.38 34.20 3lwg s VAL 50 CO 0.03 0.02 1.07 -0.69 -3.33 0.00 0.00 175.10 172.20 3lwg s VAL 51 N 1.58 3.62 0.36 2.04 1.01 0.21 -0.86 120.40 128.36 3lwg s VAL 51 Ca -0.09 1.54 -0.28 0.00 0.00 0.00 0.00 61.98 63.14 3lwg s VAL 51 Cb -0.07 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 3lwg s VAL 51 CO -0.16 0.30 1.42 -2.28 0.00 0.00 0.00 175.10 174.38 3lwg s HIS 52 N -1.28 2.74 0.56 5.22 2.46 0.32 -4.61 115.29 120.71 3lwg s HIS 52 Ca 0.47 1.26 0.25 0.00 0.47 0.00 0.00 55.06 57.50 3lwg s HIS 52 Cb -0.29 -3.90 1.56 0.00 -0.13 0.00 0.00 32.58 29.82 3lwg s HIS 52 CO 0.37 -2.60 2.16 0.00 -2.47 0.00 0.00 174.74 172.19 3lwg h ALA 53 N 3.12 1.85 -0.82 1.58 0.00 -1.94 -1.01 119.26 122.04 3lwg h ALA 53 Ca -0.50 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3lwg h ALA 53 Cb 1.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3lwg h ALA 53 CO 0.65 -0.14 0.54 0.78 0.00 0.00 0.00 179.25 181.07 3lwg h GLY 54 N 0.00 1.16 1.84 0.00 0.00 -1.95 -0.03 103.07 104.08 3lwg h GLY 54 Ca 0.05 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.72 3lwg h GLY 54 CO -0.00 0.43 -1.09 0.74 0.00 0.00 0.00 176.54 176.62 3lwg h PHE 55 N 1.12 0.00 0.00 5.60 0.04 -1.53 0.13 116.94 122.31 3lwg h PHE 55 Ca 0.30 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.07 3lwg h PHE 55 Cb -0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.03 3lwg h PHE 55 CO 0.00 0.97 -0.00 0.82 -0.60 0.00 0.00 178.31 179.50 3lwg h ILE 56 N 0.00 1.40 -0.18 -0.55 2.04 -1.29 -1.40 117.51 117.53 3lwg h ILE 56 Ca -0.05 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 3lwg h ILE 56 Cb 1.79 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 40.08 3lwg h ILE 56 CO 0.12 0.31 -0.15 0.58 0.00 0.00 0.00 178.15 179.01 3lwg h VAL 57 N -0.52 1.20 -0.56 1.67 2.07 -1.08 -2.37 116.25 116.65 3lwg h VAL 57 Ca -0.00 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.51 3lwg h VAL 57 Cb 0.52 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3lwg h VAL 57 CO 0.00 0.28 -0.07 1.23 0.02 0.00 0.00 177.57 179.04 3lwg h GLY 58 N 0.83 1.12 0.98 2.17 0.00 -0.68 0.19 103.07 107.67 3lwg h GLY 58 Ca 0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 47.33 46.45 3lwg h GLY 58 CO 0.03 0.80 0.08 0.00 0.00 0.00 0.00 176.54 177.45 3lwg h ALA 59 N 0.94 0.64 -0.80 3.60 0.00 -0.96 -2.00 119.26 120.68 3lwg h ALA 59 Ca 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3lwg h ALA 59 Cb 0.63 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3lwg h ALA 59 CO 0.04 0.37 0.33 0.00 0.00 0.00 0.00 179.25 179.99 3lwg h ALA 60 N 0.96 1.04 -0.49 0.00 0.00 -1.22 -1.81 119.26 117.75 3lwg h ALA 60 Ca 0.15 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3lwg h ALA 60 Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3lwg h ALA 60 CO 0.01 0.66 -0.12 0.77 0.00 0.00 0.00 179.25 180.58 3lwg h SER 61 N 1.17 0.90 -0.00 0.00 0.02 -0.34 -0.95 113.55 114.36 3lwg h SER 61 Ca 0.27 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3lwg h SER 61 Cb 0.21 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3lwg h SER 61 CO -0.02 1.03 -0.01 0.15 -1.14 0.00 0.00 176.83 176.83 3lwg h PHE 62 N 0.81 -0.03 -0.73 3.45 3.57 -1.08 -0.48 116.94 122.45 3lwg h PHE 62 Ca 0.13 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3lwg h PHE 62 Cb 0.65 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 3lwg h PHE 62 CO 0.04 -0.02 0.38 0.00 -2.23 0.00 0.00 178.31 176.48 3lwg h ALA 63 N 0.98 1.01 -0.32 2.41 0.00 -1.10 -1.08 119.26 121.17 3lwg h ALA 63 Ca 0.01 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3lwg h ALA 63 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3lwg h ALA 63 CO -0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.12 3lwg h ALA 64 N 1.43 0.44 -0.36 0.00 0.00 -0.75 -0.56 119.26 119.46 3lwg h ALA 64 Ca 0.36 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3lwg h ALA 64 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3lwg h ALA 64 CO -0.25 0.31 0.02 -0.07 0.00 0.00 0.00 179.25 179.26 3lwg h LEU 65 N 0.41 0.52 -0.50 0.00 3.38 -0.80 -2.63 115.31 115.69 3lwg h LEU 65 Ca 0.08 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3lwg h LEU 65 Cb 0.63 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3lwg h LEU 65 CO 0.04 0.57 -0.73 0.00 0.09 0.00 0.00 178.44 178.41 3lwg h ALA 67 N 1.14 0.79 -0.03 0.00 0.00 -0.77 -3.18 119.26 117.21 3lwg h ALA 67 Ca -0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3lwg h ALA 67 Cb 1.29 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3lwg h ALA 67 CO 0.11 0.35 -0.50 1.25 0.00 0.00 0.00 179.25 180.45 3lwg h LEU 68 N 0.84 0.50 -1.98 0.00 5.85 -1.41 -3.24 115.31 115.87 3lwg h LEU 68 Ca 0.21 -0.72 -0.33 0.00 0.84 0.00 0.00 57.88 57.89 3lwg h LEU 68 Cb 0.11 -0.15 0.16 0.00 0.37 0.00 0.00 40.66 41.15 3lwg h LEU 68 CO -0.03 1.15 -0.81 -3.20 -0.34 0.00 0.00 178.44 175.21 3lwg n ASN 69 N -4.28 -3.40 -4.20 1.25 5.15 0.23 -4.92 115.26 105.09 3lwg n ASN 69 Ca -0.09 -0.70 -0.29 0.00 -0.60 0.00 0.00 54.58 52.90 3lwg n ASN 69 Cb 0.61 -4.91 -0.16 0.00 -0.53 0.00 0.00 39.78 34.80 3lwg n ASN 69 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3lwg s LYS 70 N -5.20 2.14 0.52 1.20 -0.14 -1.26 -4.62 119.74 112.37 3lwg s LYS 70 Ca 0.16 -0.75 -0.23 0.00 -1.36 0.00 0.00 55.97 53.79 3lwg s LYS 70 Cb -0.03 -1.84 -0.06 0.00 -1.68 0.00 0.00 37.83 34.23 3lwg s LYS 70 CO 0.75 0.32 1.36 0.21 -0.76 0.00 0.00 175.35 177.23 3lwg s LYS 71 N -0.08 3.28 -1.20 1.68 2.20 -1.26 -3.27 119.74 121.10 3lwg s LYS 71 Ca -0.03 2.25 -0.07 0.00 -0.36 0.00 0.00 55.97 57.76 3lwg s LYS 71 Cb -0.12 -2.35 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 3lwg s LYS 71 CO 0.03 -1.08 0.91 0.09 -0.36 0.00 0.00 175.35 174.93 3lwg n ASN 72 N -0.83 -5.70 -4.87 1.43 3.02 -1.26 -4.58 115.26 102.47 3lwg n ASN 72 Ca 0.09 -0.41 -0.23 0.00 -0.03 0.00 0.00 54.58 54.00 3lwg n ASN 72 Cb 0.44 -4.36 -0.04 0.00 -0.61 0.00 0.00 39.78 35.21 3lwg n ASN 72 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3lwg s SER 73 N -3.16 5.81 -0.11 6.41 1.04 -1.20 -1.94 113.70 120.54 3lwg s SER 73 Ca 0.45 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.67 3lwg s SER 73 Cb -0.20 -1.58 0.03 0.00 0.10 0.00 0.00 66.02 64.37 3lwg s SER 73 CO 0.56 -0.02 0.30 -0.76 0.98 0.00 0.00 173.24 174.29 3lwg s LEU 74 N -3.69 0.84 -0.08 2.42 1.43 -0.37 -5.00 118.68 114.23 3lwg s LEU 74 Ca 0.33 0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 3lwg s LEU 74 Cb -0.09 1.01 -0.03 0.00 0.03 0.00 0.00 46.19 47.11 3lwg s LEU 74 CO 0.26 -0.11 1.30 -0.63 0.23 0.00 0.00 176.35 177.41 3lwg s ILE 75 N 0.21 4.09 -0.04 -0.59 1.01 -1.26 -1.17 121.20 123.45 3lwg s ILE 75 Ca -0.00 1.39 0.17 0.00 0.00 0.00 0.00 60.65 62.20 3lwg s ILE 75 Cb -0.02 -3.89 -0.26 0.00 0.01 0.00 0.00 42.46 38.29 3lwg s ILE 75 CO -0.00 -0.05 0.34 -1.54 0.00 0.00 0.00 174.94 173.68 3lwg n SER 76 N 5.88 1.03 -3.48 3.58 3.41 -0.20 -4.95 113.62 118.89 3lwg n SER 76 Ca 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.63 3lwg n SER 76 Cb 0.45 1.68 -0.03 0.00 -0.26 0.00 0.00 64.21 66.05 3lwg n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lwg s SER 77 N -4.13 -0.49 0.00 4.04 1.04 -1.21 -5.00 113.70 107.96 3lwg s SER 77 Ca -0.07 0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.31 3lwg s SER 77 Cb 0.10 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3lwg s SER 77 CO 0.71 -0.75 0.36 0.00 0.98 0.00 0.00 173.24 174.54 3lwg s MET 78 N -3.02 0.76 -0.16 4.02 0.00 -1.26 -0.96 119.30 118.68 3lwg s MET 78 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 55.69 55.47 3lwg s MET 78 Cb -0.01 0.34 0.03 0.00 0.00 0.00 0.00 34.83 35.19 3lwg s MET 78 CO -0.08 -0.23 -0.11 0.21 0.00 0.00 0.00 175.02 174.82 3lwg s LYS 79 N -1.68 2.00 -0.01 3.16 2.36 -0.27 -5.00 119.74 120.31 3lwg s LYS 79 Ca -0.11 -0.61 0.03 0.00 -2.55 0.00 0.00 55.97 52.74 3lwg s LYS 79 Cb -0.03 -2.13 -0.01 0.00 -1.05 0.00 0.00 37.83 34.61 3lwg s LYS 79 CO 0.03 -0.33 -0.11 0.54 1.55 0.00 0.00 175.35 177.03 3lwg s VAL 80 N 1.51 0.84 -0.17 4.02 0.11 -1.26 -0.91 120.40 124.54 3lwg s VAL 80 Ca 0.02 -0.47 -0.02 0.00 -2.93 0.00 0.00 61.98 58.58 3lwg s VAL 80 Cb -0.14 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 3lwg s VAL 80 CO -0.09 0.23 -0.08 0.20 -3.33 0.00 0.00 175.10 172.03 3lwg s ASN 81 N -0.28 4.30 -0.41 3.54 0.01 0.60 -4.99 114.94 117.70 3lwg s ASN 81 Ca 0.04 -0.30 -0.18 0.00 -0.71 0.00 0.00 52.86 51.71 3lwg s ASN 81 Cb -0.04 -1.69 0.02 0.00 0.41 0.00 0.00 41.25 39.94 3lwg s ASN 81 CO -0.00 0.10 0.47 -0.76 -1.51 0.00 0.00 177.10 175.40 3lwg s LEU 82 N 0.73 4.76 0.20 0.60 1.43 -1.26 -1.78 118.68 123.36 3lwg s LEU 82 Ca -0.04 -0.56 0.23 0.00 -1.03 0.00 0.00 54.13 52.73 3lwg s LEU 82 Cb -0.15 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.64 3lwg s LEU 82 CO 0.02 -0.59 1.06 -0.07 0.23 0.00 0.00 176.35 177.00 3lwg h LEU 83 N 9.13 0.00 -7.36 1.79 3.38 -1.39 -3.47 115.31 117.39 3lwg h LEU 83 Ca -0.27 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3lwg h LEU 83 Cb 1.11 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 3lwg h LEU 83 CO 0.80 0.01 -0.09 0.00 0.09 0.00 0.00 178.44 179.24 3lwg s ALA 84 N -3.35 -1.03 0.35 1.53 0.00 -1.20 -4.99 121.76 113.07 3lwg s ALA 84 Ca -0.00 0.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 3lwg s ALA 84 Cb 0.10 0.35 -0.11 0.00 0.00 0.00 0.00 23.12 23.45 3lwg s ALA 84 CO 0.79 -0.46 1.47 -2.30 0.00 0.00 0.00 175.76 175.26 3lwg n PRO 85 N 0.50 2.57 -4.26 0.00 -0.02 -1.26 -4.95 135.00 127.57 3lwg n PRO 85 Ca -0.18 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 3lwg n PRO 85 Cb 0.60 -2.61 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3lwg n PRO 85 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3lwg s ILE 86 N -0.89 4.39 0.32 4.25 1.01 -1.26 -5.00 121.20 124.01 3lwg s ILE 86 Ca 0.56 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 61.10 3lwg s ILE 86 Cb -0.50 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3lwg s ILE 86 CO 0.61 0.54 0.11 -1.61 0.00 0.00 0.00 174.94 174.59 3lwg s GLU 87 N -0.28 2.38 0.23 2.79 2.02 -1.26 -0.62 118.70 123.95 3lwg s GLU 87 Ca 0.07 -1.50 -0.31 0.00 0.02 0.00 0.00 54.97 53.25 3lwg s GLU 87 Cb -0.12 -2.19 -0.14 0.00 0.10 0.00 0.00 34.13 31.78 3lwg s GLU 87 CO 0.02 0.18 1.23 1.51 0.02 0.00 0.00 175.26 178.22 3lwg n ILE 88 N -1.09 1.17 -3.43 -1.63 0.13 -1.26 -1.99 119.36 111.27 3lwg n ILE 88 Ca -0.04 -0.29 -0.25 0.00 -1.10 0.00 0.00 62.75 61.07 3lwg n ILE 88 Cb 0.61 -1.13 -0.05 0.00 -0.84 0.00 0.00 39.64 38.23 3lwg n ILE 88 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3lwg n LYS 89 N 1.60 -1.30 -2.75 9.51 5.02 -1.07 -4.95 118.16 124.22 3lwg n LYS 89 Ca 0.12 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 3lwg n LYS 89 Cb 0.29 -3.75 -0.03 0.00 -0.02 0.00 0.00 35.03 31.52 3lwg n LYS 89 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3lwg s GLN 90 N -5.46 4.37 -0.20 1.97 -0.21 -0.84 -4.91 119.66 114.38 3lwg s GLN 90 Ca 0.48 1.27 -0.26 0.00 0.02 0.00 0.00 55.36 56.87 3lwg s GLN 90 Cb -0.28 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.16 3lwg s GLN 90 CO 0.59 -0.34 0.89 -1.21 -2.12 0.00 0.00 175.29 173.09 3lwg s GLU 91 N 2.15 4.26 -0.23 2.91 2.02 -1.26 -4.16 118.70 124.39 3lwg s GLU 91 Ca 0.45 1.09 -0.07 0.00 0.02 0.00 0.00 54.97 56.46 3lwg s GLU 91 Cb -0.17 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.41 3lwg s GLU 91 CO 0.15 -0.46 0.06 0.42 0.02 0.00 0.00 175.26 175.46 3lwg s ILE 92 N 2.60 4.38 -0.17 -1.63 -1.09 0.10 -4.52 121.20 120.88 3lwg s ILE 92 Ca 0.39 -0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.48 3lwg s ILE 92 Cb -0.16 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 3lwg s ILE 92 CO 0.10 0.37 0.45 -0.31 -1.23 0.00 0.00 174.94 174.32 3lwg s TYR 93 N 1.29 3.43 -0.22 3.97 2.02 -0.19 -0.84 117.35 126.81 3lwg s TYR 93 Ca 0.05 0.76 -0.05 0.00 -0.37 0.00 0.00 57.07 57.46 3lwg s TYR 93 Cb -0.15 -2.56 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 3lwg s TYR 93 CO 0.03 0.05 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.00 3lwg s PHE 94 N 1.06 3.00 -0.23 2.71 0.08 -0.04 -0.58 117.98 123.98 3lwg s PHE 94 Ca 0.23 -0.69 -0.03 0.00 0.12 0.00 0.00 56.93 56.56 3lwg s PHE 94 Cb -0.15 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.18 3lwg s PHE 94 CO 0.09 -0.42 -0.05 -0.80 -0.10 0.00 0.00 175.22 173.95 3lwg s ASN 95 N 1.35 4.31 -0.04 1.36 0.02 0.41 -1.60 114.94 120.75 3lwg s ASN 95 Ca 0.04 -0.58 -0.00 0.00 -1.02 0.00 0.00 52.86 51.30 3lwg s ASN 95 Cb -0.15 -1.71 -0.03 0.00 0.02 0.00 0.00 41.25 39.38 3lwg s ASN 95 CO -0.00 -0.07 0.00 0.00 0.02 0.00 0.00 177.10 177.05 3lwg s ALA 96 N 1.42 3.28 -0.06 0.60 0.00 0.81 -1.63 121.76 126.19 3lwg s ALA 96 Ca 0.04 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3lwg s ALA 96 Cb -0.15 -1.41 0.04 0.00 0.00 0.00 0.00 23.12 21.59 3lwg s ALA 96 CO -0.04 0.62 0.13 0.99 0.00 0.00 0.00 175.76 177.46 3lwg s THR 97 N -0.98 -0.05 0.12 0.00 2.01 0.05 -1.83 115.64 114.96 3lwg s THR 97 Ca 0.16 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 62.04 3lwg s THR 97 Cb -0.11 -0.22 -0.10 0.00 0.01 0.00 0.00 72.50 72.08 3lwg s THR 97 CO 0.06 0.08 1.86 -0.63 -0.69 0.00 0.00 174.62 175.30 3lwg s ILE 98 N 1.18 2.51 -0.10 1.82 1.01 -0.31 -0.96 121.20 126.34 3lwg s ILE 98 Ca -0.09 0.00 0.15 0.00 0.00 0.00 0.00 60.65 60.71 3lwg s ILE 98 Cb -0.12 -3.00 -0.22 0.00 0.01 0.00 0.00 42.46 39.13 3lwg s ILE 98 CO -0.05 -0.00 0.18 0.35 0.00 0.00 0.00 174.94 175.41 3lwg n THR 99 N 4.79 0.67 -3.76 2.92 -2.24 0.35 -4.89 114.28 112.11 3lwg n THR 99 Ca 0.18 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 3lwg n THR 99 Cb 0.38 -0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.19 3lwg n THR 99 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3lwg s HIS 100 N -2.69 -0.35 -0.20 4.78 5.65 -0.97 -4.98 115.29 116.53 3lwg s HIS 100 Ca -0.07 0.86 -0.19 0.00 0.25 0.00 0.00 55.06 55.91 3lwg s HIS 100 Cb 0.07 0.12 0.05 0.00 -1.18 0.00 0.00 32.58 31.65 3lwg s HIS 100 CO 0.67 -0.18 0.54 -0.08 -0.65 0.00 0.00 174.74 175.04 3lwg s THR 101 N 0.11 0.00 -0.12 0.89 -1.32 -1.26 0.02 115.64 113.96 3lwg s THR 101 Ca -0.01 -0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.63 3lwg s THR 101 Cb -0.02 -0.76 0.27 0.00 -1.51 0.00 0.00 72.50 70.48 3lwg s THR 101 CO 0.01 -0.00 1.14 -1.54 -2.21 0.00 0.00 174.62 172.01 3lwg n SER 102 N 2.75 1.96 0.00 8.08 3.41 -0.60 -5.01 113.62 124.21 3lwg n SER 102 Ca -0.14 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.46 3lwg n SER 102 Cb 0.56 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3lwg n SER 102 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3lwg n SER 103 N -1.19 0.00 -0.10 4.04 7.64 -1.26 -4.42 113.62 118.32 3lwg n SER 103 Ca 0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 3lwg n SER 103 Cb 0.66 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.83 3lwg n SER 103 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3lwg h LYS 104 N 0.00 0.55 -5.85 1.43 6.56 -1.94 -3.40 116.57 113.93 3lwg h LYS 104 Ca 0.00 -0.18 -0.57 0.00 -1.06 0.00 0.00 60.65 58.84 3lwg h LYS 104 Cb 0.00 -0.05 -0.29 0.00 -0.57 0.00 0.00 32.23 31.33 3lwg h LYS 104 CO 0.00 0.71 -0.84 0.21 -2.06 0.00 0.00 179.45 177.46 3lwg s LYS 105 N -4.94 1.50 0.01 3.15 2.20 -1.26 -1.34 119.74 119.06 3lwg s LYS 105 Ca -0.13 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.74 3lwg s LYS 105 Cb 0.08 -1.47 -0.01 0.00 -1.51 0.00 0.00 37.83 34.92 3lwg s LYS 105 CO 0.77 0.40 0.02 -1.12 -0.36 0.00 0.00 175.35 175.06 3lwg s SER 106 N -0.58 0.16 -0.12 1.43 0.01 -0.00 -1.56 113.70 113.04 3lwg s SER 106 Ca 0.07 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 56.96 3lwg s SER 106 Cb -0.08 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 3lwg s SER 106 CO -0.00 -0.30 -0.12 -0.89 0.41 0.00 0.00 173.24 172.34 3lwg s THR 107 N -1.32 3.16 -0.10 1.44 2.01 0.10 -0.41 115.64 120.52 3lwg s THR 107 Ca -0.14 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.26 3lwg s THR 107 Cb -0.09 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.10 3lwg s THR 107 CO -0.00 0.53 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.61 3lwg s ILE 108 N 0.23 1.90 -0.04 1.82 -1.09 0.33 -0.50 121.20 123.85 3lwg s ILE 108 Ca -0.08 -0.92 -0.18 0.00 -2.23 0.00 0.00 60.65 57.24 3lwg s ILE 108 Cb -0.15 -1.66 -0.05 0.00 -1.58 0.00 0.00 42.46 39.01 3lwg s ILE 108 CO 0.05 0.52 0.51 -0.60 -1.23 0.00 0.00 174.94 174.19 3lwg s ARG 109 N 0.51 4.23 -0.06 2.79 6.06 -0.14 -0.78 118.95 131.56 3lwg s ARG 109 Ca -0.15 0.56 0.03 0.00 -2.50 0.00 0.00 55.73 53.67 3lwg s ARG 109 Cb -0.17 -3.34 0.01 0.00 0.06 0.00 0.00 34.95 31.51 3lwg s ARG 109 CO 0.06 0.39 -0.14 0.08 -2.50 0.00 0.00 175.30 173.19 3lwg s VAL 110 N -0.18 1.23 -0.05 7.11 1.01 0.10 -0.77 120.40 128.85 3lwg s VAL 110 Ca 0.27 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3lwg s VAL 110 Cb -0.17 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3lwg s VAL 110 CO 0.14 0.37 -0.24 -1.61 0.00 0.00 0.00 175.10 173.76 3lwg s GLU 111 N 0.46 2.30 -0.10 2.72 2.02 -0.65 -1.56 118.70 123.90 3lwg s GLU 111 Ca -0.11 -0.86 -0.00 0.00 0.02 0.00 0.00 54.97 54.01 3lwg s GLU 111 Cb -0.14 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 3lwg s GLU 111 CO 0.03 0.40 -0.09 0.20 0.02 0.00 0.00 175.26 175.83 3lwg s GLY 112 N -0.25 1.64 0.04 -1.39 0.00 -0.15 -0.44 107.32 106.77 3lwg s GLY 112 Ca -0.00 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.88 3lwg s GLY 112 CO 0.02 -0.43 -0.14 -0.54 0.00 0.00 0.00 173.10 172.01 3lwg s GLU 113 N -0.26 0.92 -0.22 2.90 2.02 0.25 -0.32 118.70 124.00 3lwg s GLU 113 Ca 0.03 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.25 3lwg s GLU 113 Cb -0.13 -0.93 0.05 0.00 0.10 0.00 0.00 34.13 33.22 3lwg s GLU 113 CO 0.03 0.23 -0.09 0.12 0.02 0.00 0.00 175.26 175.56 3lwg s PHE 114 N -0.89 2.54 -1.46 1.61 5.99 -0.25 -1.02 117.98 124.50 3lwg s PHE 114 Ca 0.01 -1.74 -0.12 0.00 0.00 0.00 0.00 56.93 55.08 3lwg s PHE 114 Cb -0.08 -1.67 0.05 0.00 0.00 0.00 0.00 43.02 41.32 3lwg s PHE 114 CO 0.01 -0.77 1.05 -1.33 -0.00 0.00 0.00 175.22 174.19 3lwg n MET 115 N 4.64 -6.49 -0.78 10.12 2.81 -1.26 -1.58 117.12 124.58 3lwg n MET 115 Ca -0.14 0.70 0.00 0.00 -1.81 0.00 0.00 57.70 56.45 3lwg n MET 115 Cb 0.45 -5.66 0.00 0.00 -0.71 0.00 0.00 33.22 27.31 3lwg n MET 115 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3lwg n GLU 116 N -4.80 0.00 -3.73 0.03 -0.58 -1.26 -5.00 120.64 105.30 3lwg n GLU 116 Ca 0.03 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.40 3lwg n GLU 116 Cb 0.54 -2.82 -0.07 0.00 -0.57 0.00 0.00 31.44 28.52 3lwg n GLU 116 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3lwg s ILE 117 N -3.25 5.39 -0.12 -3.67 1.01 -0.62 -5.02 121.20 114.94 3lwg s ILE 117 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.69 3lwg s ILE 117 Cb 0.00 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 3lwg s ILE 117 CO 0.00 0.52 1.35 -0.75 0.00 0.00 0.00 174.94 176.05 3lwg s LYS 118 N -0.34 4.24 0.00 2.79 2.20 -1.26 -1.09 119.74 126.29 3lwg s LYS 118 Ca 0.14 1.80 0.06 0.00 -0.36 0.00 0.00 55.97 57.61 3lwg s LYS 118 Cb -0.12 -3.77 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 3lwg s LYS 118 CO 0.03 -0.69 0.60 1.33 -0.36 0.00 0.00 175.35 176.26 3lwg n VAL 119 N 5.24 0.00 -3.69 4.02 0.24 0.57 -4.83 118.33 119.88 3lwg n VAL 119 Ca 0.14 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.84 3lwg n VAL 119 Cb 0.44 1.10 -0.09 0.00 -1.47 0.00 0.00 33.84 33.82 3lwg n VAL 119 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3lwg s PHE 120 N -0.70 -0.61 -0.07 6.34 5.36 -1.03 -0.95 117.98 126.33 3lwg s PHE 120 Ca 0.06 1.44 -0.06 0.00 -0.96 0.00 0.00 56.93 57.41 3lwg s PHE 120 Cb 0.05 0.24 0.02 0.00 -0.34 0.00 0.00 43.02 42.98 3lwg s PHE 120 CO 0.10 -0.30 0.18 -1.83 -1.46 0.00 0.00 175.22 171.91 3lwg s GLU 121 N 0.52 0.21 0.08 10.12 -1.05 -0.73 -0.98 118.70 126.86 3lwg s GLU 121 Ca -0.02 0.25 -0.25 0.00 -0.15 0.00 0.00 54.97 54.80 3lwg s GLU 121 Cb -0.04 0.10 0.07 0.00 -0.44 0.00 0.00 34.13 33.81 3lwg s GLU 121 CO -0.03 -0.03 0.60 0.20 0.95 0.00 0.00 175.26 176.96 3lwg s GLY 122 N 0.10 -0.56 -0.12 -3.83 0.00 -0.60 -0.29 107.32 102.02 3lwg s GLY 122 Ca -0.00 0.72 -0.03 0.00 0.00 0.00 0.00 44.72 45.40 3lwg s GLY 122 CO 0.00 0.39 0.01 0.99 0.00 0.00 0.00 173.10 174.49 3lwg s ASP 123 N -2.17 5.23 -0.11 1.64 1.01 -0.09 -0.72 116.67 121.46 3lwg s ASP 123 Ca -0.03 0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.33 3lwg s ASP 123 Cb -0.01 -1.65 -0.00 0.00 1.01 0.00 0.00 42.92 42.27 3lwg s ASP 123 CO -0.04 0.29 -0.21 -0.36 0.21 0.00 0.00 175.17 175.05 3lwg s PHE 124 N -0.35 2.63 -0.17 4.23 0.08 0.04 -1.11 117.98 123.32 3lwg s PHE 124 Ca 0.07 -0.97 -0.13 0.00 0.12 0.00 0.00 56.93 56.02 3lwg s PHE 124 Cb -0.12 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.53 3lwg s PHE 124 CO 0.02 -0.38 0.25 -2.00 -0.10 0.00 0.00 175.22 173.01 3lwg s GLU 125 N 0.38 4.24 -0.08 0.44 2.12 -0.13 -0.52 118.70 125.15 3lwg s GLU 125 Ca -0.16 0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.21 3lwg s GLU 125 Cb -0.17 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.80 3lwg s GLU 125 CO 0.08 0.24 -0.16 0.42 -0.54 0.00 0.00 175.26 175.30 3lwg s ILE 126 N 0.47 1.44 -0.07 -3.70 1.01 0.45 -1.04 121.20 119.76 3lwg s ILE 126 Ca 0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 3lwg s ILE 126 Cb -0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3lwg s ILE 126 CO 0.02 0.42 0.10 -0.76 0.00 0.00 0.00 174.94 174.72 3lwg s LEU 127 N 0.55 4.08 -0.05 2.97 1.43 -0.31 -0.82 118.68 126.53 3lwg s LEU 127 Ca -0.16 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3lwg s LEU 127 Cb -0.16 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.95 3lwg s LEU 127 CO 0.05 0.36 -0.17 -0.69 0.23 0.00 0.00 176.35 176.14 3lwg s VAL 128 N -1.06 1.41 -0.90 -1.59 1.01 -0.45 -1.24 120.40 117.58 3lwg s VAL 128 Ca 0.18 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3lwg s VAL 128 Cb -0.12 -1.23 0.06 0.00 0.00 0.00 0.00 36.38 35.09 3lwg s VAL 128 CO 0.07 0.41 0.73 0.49 0.00 0.00 0.00 175.10 176.80