#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3m s ALA 16 N 0.00 -2.21 -0.06 1.96 0.00 -1.17 -4.99 121.76 115.30 3i3m s ALA 16 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 3i3m s ALA 16 Cb 0.00 0.76 -0.07 0.00 0.00 0.00 0.00 23.12 23.81 3i3m s ALA 16 CO 0.00 -1.11 2.00 0.00 0.00 0.00 0.00 175.76 176.65 3i3m s ALA 17 N -2.16 3.33 0.00 0.00 0.00 -1.26 -0.99 121.76 120.67 3i3m s ALA 17 Ca 0.24 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3i3m s ALA 17 Cb -0.00 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3i3m s ALA 17 CO 0.00 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.25 3i3m n GLY 18 N 4.86 0.64 3.21 0.00 0.00 -1.26 -2.36 105.19 110.28 3i3m n GLY 18 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 3i3m n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3m s ALA 19 N -2.50 1.46 0.06 4.61 0.00 -0.16 -2.11 121.76 123.11 3i3m s ALA 19 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.73 3i3m s ALA 19 Cb 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 23.12 22.95 3i3m s ALA 19 CO 0.00 0.28 0.51 0.54 0.00 0.00 0.00 175.76 177.09 3i3m s VAL 20 N -0.99 0.03 -0.22 0.00 0.11 -0.15 -2.20 120.40 116.98 3i3m s VAL 20 Ca 0.03 -0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.79 3i3m s VAL 20 Cb -0.09 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3i3m s VAL 20 CO 0.02 -0.15 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.93 3i3m s ILE 21 N -2.64 2.87 -0.92 7.04 1.01 -1.26 -1.32 121.20 125.98 3i3m s ILE 21 Ca -0.04 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 3i3m s ILE 21 Cb -0.00 -2.35 0.21 0.00 0.01 0.00 0.00 42.46 40.33 3i3m s ILE 21 CO -0.03 0.36 0.92 -0.76 0.00 0.00 0.00 174.94 175.43 3i3m s LEU 22 N 1.37 6.34 0.15 2.97 1.43 0.17 -4.97 118.68 126.14 3i3m s LEU 22 Ca 0.03 -2.78 -0.31 0.00 -1.03 0.00 0.00 54.13 50.04 3i3m s LEU 22 Cb -0.15 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.73 3i3m s LEU 22 CO -0.06 -0.60 1.51 -0.13 0.23 0.00 0.00 176.35 177.29 3i3m s ARG 23 N 0.35 4.25 -0.10 1.70 0.52 -1.26 -1.38 118.95 123.03 3i3m s ARG 23 Ca 0.24 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 3i3m s ARG 23 Cb -0.09 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.20 3i3m s ARG 23 CO -0.08 -0.55 0.00 0.54 0.02 0.00 0.00 175.30 175.23 3i3m n ARG 24 N 3.88 -1.48 -0.33 3.54 5.12 -1.23 -4.88 116.66 121.28 3i3m n ARG 24 Ca 0.13 0.42 0.07 0.00 -1.93 0.00 0.00 57.85 56.54 3i3m n ARG 24 Cb 0.40 -4.55 0.24 0.00 -1.16 0.00 0.00 32.46 27.39 3i3m n ARG 24 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3i3m h PHE 25 N 0.00 0.98 -0.53 -1.55 3.57 -1.13 -1.63 116.94 116.65 3i3m h PHE 25 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i3m h PHE 25 Cb 0.77 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3i3m h PHE 25 CO 0.47 0.32 0.00 0.00 -2.23 0.00 0.00 178.31 176.87 3i3m n ALA 26 N -2.37 2.91 -0.01 2.41 0.00 0.63 -4.58 120.51 119.51 3i3m n ALA 26 Ca 0.18 -1.23 -0.09 0.00 0.00 0.00 0.00 53.44 52.30 3i3m n ALA 26 Cb 0.40 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 3i3m n ALA 26 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i3m h PHE 27 N 3.31 -0.33 -0.06 0.00 3.57 -1.41 -0.83 116.94 121.19 3i3m h PHE 27 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 3i3m h PHE 27 Cb 1.16 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 3i3m h PHE 27 CO 0.59 -0.20 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.39 3i3m h ASN 28 N -0.15 0.09 0.51 0.41 -0.26 -1.81 -2.84 115.58 111.52 3i3m h ASN 28 Ca 0.10 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3i3m h ASN 28 Cb 0.29 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 3i3m h ASN 28 CO -0.24 0.28 -0.52 0.00 -1.06 0.00 0.00 177.43 175.89 3i3m n ALA 29 N -2.50 3.52 -0.21 -0.83 0.00 -1.00 -4.51 120.51 114.98 3i3m n ALA 29 Ca -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 3i3m n ALA 29 Cb 0.27 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.68 3i3m n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3m h ALA 30 N 2.97 0.47 -0.38 0.00 0.00 -0.91 -0.44 119.26 120.97 3i3m h ALA 30 Ca 0.00 0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3i3m h ALA 30 Cb 0.52 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3i3m h ALA 30 CO 0.00 -0.42 0.22 1.49 0.00 0.00 0.00 179.25 180.53 3i3m h GLU 31 N 0.02 0.43 -0.61 0.00 4.81 -1.80 -0.92 114.58 116.51 3i3m h GLU 31 Ca 0.31 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 3i3m h GLU 31 Cb 0.49 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3i3m h GLU 31 CO -0.64 0.28 0.12 0.37 -0.73 0.00 0.00 179.01 178.41 3i3m h GLN 32 N 0.44 1.00 -0.70 1.92 5.75 -1.72 -1.92 115.11 119.87 3i3m h GLN 32 Ca 0.15 -0.26 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3i3m h GLN 32 Cb 0.02 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3i3m h GLN 32 CO -0.08 0.93 0.46 -0.07 -2.65 0.00 0.00 178.83 177.42 3i3m h LEU 33 N 0.91 0.79 -0.85 -2.39 3.38 -0.68 -1.35 115.31 115.12 3i3m h LEU 33 Ca 0.19 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3i3m h LEU 33 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3i3m h LEU 33 CO 0.01 0.57 -0.23 0.40 0.09 0.00 0.00 178.44 179.27 3i3m h ILE 34 N 0.93 1.27 -0.66 1.22 2.04 -1.00 -0.14 117.51 121.17 3i3m h ILE 34 Ca 0.26 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 3i3m h ILE 34 Cb -0.08 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3i3m h ILE 34 CO -0.07 0.42 0.24 0.03 0.00 0.00 0.00 178.15 178.77 3i3m h ARG 35 N 0.52 1.01 0.00 2.37 3.08 -0.80 -2.02 114.38 118.53 3i3m h ARG 35 Ca 0.08 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 3i3m h ARG 35 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3i3m h ARG 35 CO 0.05 0.86 -0.48 -0.44 -1.07 0.00 0.00 179.97 178.89 3i3m h ASP 36 N 0.95 0.00 -0.41 7.04 3.32 -0.89 -2.28 116.42 124.14 3i3m h ASP 36 Ca 0.22 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3i3m h ASP 36 Cb 0.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3i3m h ASP 36 CO -0.01 0.48 0.19 0.40 -1.72 0.00 0.00 179.24 178.58 3i3m h ILE 37 N 0.00 1.18 -0.88 0.35 2.04 -0.53 -0.53 117.51 119.14 3i3m h ILE 37 Ca -0.00 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3i3m h ILE 37 Cb 0.97 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3i3m h ILE 37 CO 0.06 0.20 0.53 0.78 0.00 0.00 0.00 178.15 179.73 3i3m h ASN 38 N 0.52 1.06 -0.44 1.72 2.35 -1.08 0.38 115.58 120.09 3i3m h ASN 38 Ca 0.14 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3i3m h ASN 38 Cb 0.14 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3i3m h ASN 38 CO -0.02 0.81 -0.01 0.44 -1.65 0.00 0.00 177.43 177.00 3i3m h ASP 39 N 1.22 0.78 -0.34 5.81 3.45 -1.00 -1.97 116.42 124.37 3i3m h ASP 39 Ca 0.32 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3i3m h ASP 39 Cb -0.05 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.49 3i3m h ASP 39 CO -0.06 0.91 0.16 0.58 -1.57 0.00 0.00 179.24 179.26 3i3m h VAL 40 N 0.64 1.16 0.00 -1.35 2.07 -0.62 -2.51 116.25 115.63 3i3m h VAL 40 Ca 0.12 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3i3m h VAL 40 Cb 0.51 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3i3m h VAL 40 CO 0.03 0.17 -0.05 0.00 0.02 0.00 0.00 177.57 177.74 3i3m h ALA 41 N 1.01 1.37 -0.24 1.67 0.00 -0.79 -0.96 119.26 121.33 3i3m h ALA 41 Ca 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3i3m h ALA 41 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3i3m h ALA 41 CO -0.01 0.06 -0.09 0.77 0.00 0.00 0.00 179.25 179.98 3i3m h SER 42 N 0.00 0.36 0.03 0.00 0.02 -0.89 -2.38 113.55 110.69 3i3m h SER 42 Ca -0.00 -0.08 -0.29 0.00 -0.84 0.00 0.00 61.79 60.59 3i3m h SER 42 Cb 0.14 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3i3m h SER 42 CO 0.01 0.49 -1.58 1.67 -1.14 0.00 0.00 176.83 176.28 3i3m n GLN 43 N -4.26 0.61 -3.95 3.45 7.27 -0.75 -4.72 117.38 115.03 3i3m n GLN 43 Ca 0.00 0.47 -0.31 0.00 0.07 0.00 0.00 57.00 57.23 3i3m n GLN 43 Cb 0.27 -1.71 -0.14 0.00 2.41 0.00 0.00 30.24 31.07 3i3m n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3i3m s SER 44 N -6.96 4.57 0.76 1.69 0.01 -0.44 -4.97 113.70 108.36 3i3m s SER 44 Ca -0.29 -2.68 -0.15 0.00 1.31 0.00 0.00 55.95 54.15 3i3m s SER 44 Cb 0.07 -1.66 0.05 0.00 0.21 0.00 0.00 66.02 64.69 3i3m s SER 44 CO 0.62 -0.30 1.18 -2.65 0.41 0.00 0.00 173.24 172.49 3i3m n PRO 45 N 3.58 0.47 -2.07 12.44 -0.02 -0.90 -4.04 135.00 144.47 3i3m n PRO 45 Ca 0.05 0.23 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 3i3m n PRO 45 Cb 0.36 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3i3m n PRO 45 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3i3m s PHE 46 N -1.89 2.90 -0.01 6.00 0.40 -1.26 -4.69 117.98 119.43 3i3m s PHE 46 Ca 0.76 1.40 -0.13 0.00 -0.60 0.00 0.00 56.93 58.35 3i3m s PHE 46 Cb -0.32 -3.69 0.02 0.00 0.51 0.00 0.00 43.02 39.53 3i3m s PHE 46 CO 0.48 -2.04 0.28 -0.98 0.70 0.00 0.00 175.22 173.66 3i3m s ARG 47 N -2.04 0.62 -0.49 0.44 3.03 -0.19 -4.86 118.95 115.46 3i3m s ARG 47 Ca 0.53 -0.21 -0.22 0.00 2.03 0.00 0.00 55.73 57.87 3i3m s ARG 47 Cb -0.39 0.27 0.04 0.00 -1.03 0.00 0.00 34.95 33.84 3i3m s ARG 47 CO 0.51 -0.17 0.74 -0.65 -1.13 0.00 0.00 175.30 174.61 3i3m s GLN 48 N -1.29 3.28 0.66 3.89 -0.21 -1.26 -0.42 119.66 124.31 3i3m s GLN 48 Ca -0.13 -0.42 -0.15 0.00 0.02 0.00 0.00 55.36 54.68 3i3m s GLN 48 Cb -0.06 -4.01 0.00 0.00 1.00 0.00 0.00 33.01 29.95 3i3m s GLN 48 CO 0.04 -1.20 1.11 -1.64 -2.12 0.00 0.00 175.29 171.47 3i3m s MET 49 N 3.15 2.78 -0.20 2.91 -1.94 -1.26 -4.65 119.30 120.08 3i3m s MET 49 Ca 0.24 1.39 -0.06 0.00 -1.71 0.00 0.00 55.69 55.55 3i3m s MET 49 Cb -0.15 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.72 3i3m s MET 49 CO 0.18 -1.27 0.04 0.08 -0.01 0.00 0.00 175.02 174.04 3i3m s VAL 50 N -2.35 4.31 0.87 -6.03 1.01 -1.26 -0.95 120.40 116.01 3i3m s VAL 50 Ca 0.67 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 3i3m s VAL 50 Cb -0.20 -2.96 0.12 0.00 0.00 0.00 0.00 36.38 33.33 3i3m s VAL 50 CO 0.42 0.42 1.11 0.42 0.00 0.00 0.00 175.10 177.47 3i3m s THR 51 N 0.89 2.66 -0.16 3.92 -4.23 0.36 -4.63 115.64 114.46 3i3m s THR 51 Ca 0.02 0.21 0.20 0.00 -1.18 0.00 0.00 61.69 60.95 3i3m s THR 51 Cb -0.14 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.40 3i3m s THR 51 CO 0.02 -0.28 1.59 -2.65 -0.54 0.00 0.00 174.62 172.76 3i3m n PRO 52 N -3.95 0.13 0.00 3.99 -0.02 -1.24 -0.12 135.00 133.79 3i3m n PRO 52 Ca 0.09 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3i3m n PRO 52 Cb 0.53 -1.98 0.33 0.00 -0.02 0.00 0.00 33.50 32.36 3i3m n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i3m n GLY 53 N -1.29 -1.05 0.57 -1.23 0.00 -1.26 -4.50 105.19 96.42 3i3m n GLY 53 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3i3m n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3m n GLY 54 N 1.44 1.41 3.25 -0.02 0.00 0.83 -5.10 105.19 107.00 3i3m n GLY 54 Ca 0.08 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3i3m n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i3m s TYR 55 N -2.00 2.29 -0.13 1.61 1.51 -1.25 -4.87 117.35 114.50 3i3m s TYR 55 Ca 0.00 -0.65 -0.29 0.00 -1.01 0.00 0.00 57.07 55.12 3i3m s TYR 55 Cb 0.00 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3i3m s TYR 55 CO 0.00 -0.19 1.04 0.99 -1.11 0.00 0.00 175.55 176.28 3i3m s THR 56 N -0.18 4.71 0.41 -0.71 2.01 -1.26 -0.48 115.64 120.12 3i3m s THR 56 Ca -0.02 1.99 -0.24 0.00 0.31 0.00 0.00 61.69 63.73 3i3m s THR 56 Cb -0.13 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.02 3i3m s THR 56 CO 0.03 -0.04 1.13 -0.04 -0.69 0.00 0.00 174.62 175.01 3i3m s MET 57 N 2.33 4.04 0.27 4.92 -1.94 -0.12 -4.95 119.30 123.86 3i3m s MET 57 Ca 0.48 1.73 0.13 0.00 -1.71 0.00 0.00 55.69 56.31 3i3m s MET 57 Cb -0.18 -2.60 0.32 0.00 2.01 0.00 0.00 34.83 34.38 3i3m s MET 57 CO 0.15 -0.30 1.57 0.66 -0.01 0.00 0.00 175.02 177.10 3i3m h SER 58 N 2.51 0.00 -3.61 3.03 4.64 -1.91 -3.43 113.55 114.79 3i3m h SER 58 Ca -0.49 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.32 3i3m h SER 58 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3i3m h SER 58 CO 0.62 0.61 0.31 -0.69 -0.87 0.00 0.00 176.83 176.81 3i3m s VAL 59 N -3.40 4.37 -0.07 0.95 1.01 -1.26 -4.72 120.40 117.28 3i3m s VAL 59 Ca -0.00 1.98 -0.11 0.00 0.00 0.00 0.00 61.98 63.85 3i3m s VAL 59 Cb 0.11 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3i3m s VAL 59 CO 0.75 0.41 0.27 0.00 0.00 0.00 0.00 175.10 176.53 3i3m s ALA 60 N -0.55 3.77 0.21 5.51 0.00 -0.74 -4.45 121.76 125.52 3i3m s ALA 60 Ca 0.42 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3i3m s ALA 60 Cb -0.24 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 3i3m s ALA 60 CO 0.29 0.51 0.02 -1.64 0.00 0.00 0.00 175.76 174.94 3i3m s MET 61 N -0.91 1.23 0.28 0.00 -1.94 0.44 -0.10 119.30 118.31 3i3m s MET 61 Ca 0.19 -1.62 -0.20 0.00 -1.71 0.00 0.00 55.69 52.35 3i3m s MET 61 Cb -0.14 -0.34 0.04 0.00 2.01 0.00 0.00 34.83 36.40 3i3m s MET 61 CO 0.08 -0.16 0.81 -0.08 -0.01 0.00 0.00 175.02 175.66 3i3m s THR 62 N -3.63 0.00 0.09 2.05 -1.32 -0.73 -1.02 115.64 111.08 3i3m s THR 62 Ca 0.28 -0.90 -0.03 0.00 -1.21 0.00 0.00 61.69 59.83 3i3m s THR 62 Cb 0.06 -2.37 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 3i3m s THR 62 CO 0.07 0.00 0.05 0.20 -2.21 0.00 0.00 174.62 172.73 3i3m s ASN 63 N -3.02 0.35 0.09 8.08 0.01 -1.26 -0.56 114.94 118.62 3i3m s ASN 63 Ca 0.14 -1.02 -0.10 0.00 -0.71 0.00 0.00 52.86 51.17 3i3m s ASN 63 Cb -0.05 0.27 0.00 0.00 0.41 0.00 0.00 41.25 41.89 3i3m s ASN 63 CO 0.07 -0.68 0.22 0.00 -1.51 0.00 0.00 177.10 175.21 3i3m n GLY 65 N 0.03 -1.81 0.25 0.00 0.00 0.37 -1.34 105.19 102.70 3i3m n GLY 65 Ca -0.16 -2.15 -0.08 0.00 0.00 0.00 0.00 46.02 43.63 3i3m n GLY 65 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i3m h HIS 66 N 0.00 0.82 -4.25 1.61 -0.00 -1.55 -3.44 115.15 108.34 3i3m h HIS 66 Ca 0.00 -0.21 -0.64 0.00 -0.00 0.00 0.00 60.37 59.51 3i3m h HIS 66 Cb 0.00 -0.18 -0.26 0.00 -0.00 0.00 0.00 27.41 26.96 3i3m h HIS 66 CO 0.00 0.93 -0.86 -0.51 -0.00 0.00 0.00 177.93 177.49 3i3m s LEU 67 N -8.74 2.16 -0.03 0.26 1.43 -0.31 -4.19 118.68 109.26 3i3m s LEU 67 Ca -0.09 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3i3m s LEU 67 Cb 0.13 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 3i3m s LEU 67 CO 0.83 0.22 -0.19 -0.83 0.23 0.00 0.00 176.35 176.62 3i3m s GLY 68 N -1.20 0.94 0.11 -3.19 0.00 -0.51 -4.07 107.32 99.41 3i3m s GLY 68 Ca 0.10 -0.78 -0.30 0.00 0.00 0.00 0.00 44.72 43.74 3i3m s GLY 68 CO 0.02 -0.55 1.12 0.86 0.00 0.00 0.00 173.10 174.55 3i3m s TRP 69 N -0.25 3.54 0.20 1.90 -0.00 -1.26 -1.73 118.94 121.35 3i3m s TRP 69 Ca 0.03 1.50 -0.07 0.00 -0.00 0.00 0.00 56.10 57.56 3i3m s TRP 69 Cb -0.09 -3.31 -0.02 0.00 -0.00 0.00 0.00 33.47 30.05 3i3m s TRP 69 CO 0.01 -0.78 0.27 0.95 -0.00 0.00 0.00 176.95 177.40 3i3m s THR 70 N 0.40 0.02 0.12 5.86 -4.23 0.11 -4.93 115.64 112.98 3i3m s THR 70 Ca 0.53 -1.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3i3m s THR 70 Cb -0.28 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 3i3m s THR 70 CO 0.32 -0.10 0.04 0.42 -0.54 0.00 0.00 174.62 174.76 3i3m s THR 71 N -4.06 4.14 0.25 3.99 -4.23 -1.26 -1.45 115.64 113.02 3i3m s THR 71 Ca 0.28 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 3i3m s THR 71 Cb 0.04 -3.03 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 3i3m s THR 71 CO 0.08 0.03 0.03 -2.28 -0.54 0.00 0.00 174.62 171.93 3i3m s HIS 72 N -1.49 1.62 0.36 3.99 5.04 -1.05 -4.92 115.29 118.84 3i3m s HIS 72 Ca 0.28 -0.98 0.18 0.00 -1.54 0.00 0.00 55.06 53.00 3i3m s HIS 72 Cb -0.11 -0.96 1.21 0.00 0.04 0.00 0.00 32.58 32.76 3i3m s HIS 72 CO 0.20 -0.09 1.63 0.00 -2.34 0.00 0.00 174.74 174.14 3i3m h ARG 73 N 2.40 0.18 -2.05 2.88 3.08 -1.91 -3.28 114.38 115.69 3i3m h ARG 73 Ca -0.39 -0.01 -0.41 0.00 0.07 0.00 0.00 59.98 59.25 3i3m h ARG 73 Cb 1.23 -0.04 -0.32 0.00 0.08 0.00 0.00 29.97 30.92 3i3m h ARG 73 CO 0.65 0.12 -0.72 -1.14 -1.07 0.00 0.00 179.97 177.81 3i3m s GLN 74 N -5.59 0.64 0.00 0.04 2.00 -1.26 -4.46 119.66 111.03 3i3m s GLN 74 Ca -0.09 -0.97 0.00 0.00 -2.00 0.00 0.00 55.36 52.29 3i3m s GLN 74 Cb 0.32 -0.83 0.00 0.00 0.80 0.00 0.00 33.01 33.30 3i3m s GLN 74 CO 0.79 -1.21 0.00 0.41 -0.50 0.00 0.00 175.29 174.78 3i3m n GLY 75 N 4.16 3.38 3.79 2.59 0.00 -1.24 -5.06 105.19 112.82 3i3m n GLY 75 Ca 0.12 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3i3m n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i3m s TYR 76 N -0.36 2.88 -0.01 1.61 2.02 -1.26 -2.52 117.35 119.70 3i3m s TYR 76 Ca 0.00 1.51 -0.29 0.00 -0.37 0.00 0.00 57.07 57.92 3i3m s TYR 76 Cb 0.00 -3.03 0.10 0.00 -0.40 0.00 0.00 41.96 38.63 3i3m s TYR 76 CO 0.00 -1.33 1.00 -0.48 -1.57 0.00 0.00 175.55 173.16 3i3m s LEU 77 N -4.85 -0.26 -0.03 -1.29 -0.00 -0.52 -4.92 118.68 106.79 3i3m s LEU 77 Ca 0.63 -0.09 -0.03 0.00 -0.00 0.00 0.00 54.13 54.65 3i3m s LEU 77 Cb -0.17 1.87 -0.04 0.00 -0.00 0.00 0.00 46.19 47.85 3i3m s LEU 77 CO 0.42 -0.57 0.13 -0.31 -0.00 0.00 0.00 176.35 176.03 3i3m s TYR 78 N -2.95 3.46 -0.03 3.48 1.51 -1.26 -0.71 117.35 120.85 3i3m s TYR 78 Ca 0.08 0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 56.38 3i3m s TYR 78 Cb -0.01 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3i3m s TYR 78 CO -0.06 0.63 0.22 0.45 -1.11 0.00 0.00 175.55 175.68 3i3m s SER 79 N -1.64 -0.12 0.00 2.29 0.15 -0.70 -4.91 113.70 108.77 3i3m s SER 79 Ca 0.23 0.09 0.29 0.00 0.70 0.00 0.00 55.95 57.26 3i3m s SER 79 Cb -0.12 0.32 1.32 0.00 -1.71 0.00 0.00 66.02 65.83 3i3m s SER 79 CO 0.13 -0.30 1.93 -0.81 1.20 0.00 0.00 173.24 175.40 3i3m n PRO 80 N 1.87 0.40 -4.74 5.44 -0.04 -1.26 -1.43 135.00 135.25 3i3m n PRO 80 Ca -0.19 -0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 62.87 3i3m n PRO 80 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 3i3m n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i3m s ILE 81 N -2.64 3.22 -0.23 0.52 -1.09 -1.26 -2.93 121.20 116.78 3i3m s ILE 81 Ca 0.25 -0.62 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 3i3m s ILE 81 Cb 0.20 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 3i3m s ILE 81 CO 0.49 0.54 1.39 -0.62 -1.23 0.00 0.00 174.94 175.51 3i3m s ASP 82 N 0.09 6.66 0.26 3.58 -1.08 0.04 -4.90 116.67 121.32 3i3m s ASP 82 Ca -0.05 1.50 0.22 0.00 -0.52 0.00 0.00 52.55 53.70 3i3m s ASP 82 Cb -0.14 -2.54 1.01 0.00 -1.46 0.00 0.00 42.92 39.78 3i3m s ASP 82 CO 0.04 -1.04 1.68 -0.81 0.52 0.00 0.00 175.17 175.57 3i3m n PRO 83 N 7.22 0.17 -0.04 4.34 -0.04 -1.26 0.21 135.00 145.60 3i3m n PRO 83 Ca 0.16 0.47 -0.21 0.00 -0.04 0.00 0.00 63.50 63.88 3i3m n PRO 83 Cb 0.46 -1.88 -0.13 0.00 -0.04 0.00 0.00 33.50 31.91 3i3m n PRO 83 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3i3m h GLN 84 N 0.00 0.14 0.00 0.54 4.15 -1.95 -3.38 115.11 114.61 3i3m h GLN 84 Ca 0.00 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.14 3i3m h GLN 84 Cb 0.27 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3i3m h GLN 84 CO 0.00 1.11 -0.95 1.79 -1.93 0.00 0.00 178.83 178.85 3i3m h THR 85 N -0.54 0.18 -0.98 2.39 1.35 -1.92 -3.48 112.91 109.92 3i3m h THR 85 Ca -0.34 -1.33 -0.28 0.00 -0.55 0.00 0.00 66.41 63.92 3i3m h THR 85 Cb 1.60 1.76 -0.09 0.00 -1.73 0.00 0.00 68.15 69.69 3i3m h THR 85 CO -0.05 0.10 -0.28 0.59 -0.25 0.00 0.00 175.52 175.64 3i3m n ASN 86 N -2.82 -4.53 -4.47 5.36 4.13 0.13 -5.00 115.26 108.06 3i3m n ASN 86 Ca -0.02 0.25 -0.23 0.00 1.68 0.00 0.00 54.58 56.26 3i3m n ASN 86 Cb 0.63 -3.35 -0.10 0.00 -1.54 0.00 0.00 39.78 35.42 3i3m n ASN 86 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3i3m s LYS 87 N -3.54 1.64 0.79 3.52 1.02 -1.23 -4.88 119.74 117.06 3i3m s LYS 87 Ca 0.00 -1.81 -0.13 0.00 0.02 0.00 0.00 55.97 54.04 3i3m s LYS 87 Cb 0.00 -1.44 0.08 0.00 -0.52 0.00 0.00 37.83 35.95 3i3m s LYS 87 CO 0.00 0.14 1.19 -2.14 -0.92 0.00 0.00 175.35 173.62 3i3m s PRO 88 N -3.64 1.75 0.64 -1.68 0.02 -1.26 -0.78 135.00 130.04 3i3m s PRO 88 Ca 0.30 1.70 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 3i3m s PRO 88 Cb 0.01 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.73 3i3m s PRO 88 CO 0.13 -2.12 1.08 -1.58 -0.33 0.00 0.00 177.00 174.18 3i3m s TRP 89 N -2.20 2.85 0.73 6.54 0.52 -1.15 -4.68 118.94 121.55 3i3m s TRP 89 Ca 0.72 1.52 -0.15 0.00 0.02 0.00 0.00 56.10 58.21 3i3m s TRP 89 Cb -0.27 -3.05 0.04 0.00 -1.15 0.00 0.00 33.47 29.04 3i3m s TRP 89 CO 0.50 -1.37 1.21 -2.14 0.02 0.00 0.00 176.95 175.17 3i3m s PRO 90 N -4.27 2.13 0.80 4.98 0.02 -1.26 -4.71 135.00 132.69 3i3m s PRO 90 Ca 0.64 1.78 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 3i3m s PRO 90 Cb -0.17 -1.83 0.07 0.00 0.02 0.00 0.00 34.50 32.59 3i3m s PRO 90 CO 0.42 -1.84 1.09 0.00 -0.33 0.00 0.00 177.00 176.34 3i3m s ALA 91 N -1.96 2.13 -0.02 -1.55 0.00 -1.26 -0.48 121.76 118.62 3i3m s ALA 91 Ca 0.75 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 3i3m s ALA 91 Cb -0.30 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 3i3m s ALA 91 CO 0.45 -1.86 1.65 1.41 0.00 0.00 0.00 175.76 177.41 3i3m s MET 92 N -4.93 4.19 0.65 0.00 1.75 -1.26 -4.18 119.30 115.51 3i3m s MET 92 Ca 0.61 2.22 -0.17 0.00 -1.25 0.00 0.00 55.69 57.09 3i3m s MET 92 Cb -0.17 -3.89 -0.01 0.00 2.84 0.00 0.00 34.83 33.60 3i3m s MET 92 CO 0.56 -0.81 1.25 -2.14 -0.65 0.00 0.00 175.02 173.23 3i3m s PRO 93 N 3.68 2.56 0.20 4.11 0.02 -1.26 -4.84 135.00 139.48 3i3m s PRO 93 Ca 0.73 1.93 -0.11 0.00 0.02 0.00 0.00 61.00 63.58 3i3m s PRO 93 Cb -0.35 -1.86 0.16 0.00 0.02 0.00 0.00 34.50 32.47 3i3m s PRO 93 CO 0.30 -1.56 1.85 0.37 -0.33 0.00 0.00 177.00 177.64 3i3m h GLN 94 N 0.43 0.84 -0.78 5.54 4.15 -2.00 -1.82 115.11 121.47 3i3m h GLN 94 Ca -0.50 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 58.92 3i3m h GLN 94 Cb 1.32 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.77 3i3m h GLN 94 CO 0.53 0.55 0.48 1.03 -1.93 0.00 0.00 178.83 179.49 3i3m h SER 95 N 0.86 0.77 0.37 -0.69 0.87 -1.96 -0.96 113.55 112.81 3i3m h SER 95 Ca 0.26 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3i3m h SER 95 Cb -0.03 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3i3m h SER 95 CO -0.09 0.51 -0.18 -0.26 -0.53 0.00 0.00 176.83 176.28 3i3m h PHE 96 N 0.90 -0.46 -0.30 2.24 -1.00 -1.80 -1.65 116.94 114.87 3i3m h PHE 96 Ca 0.33 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.15 3i3m h PHE 96 Cb 0.11 0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 3i3m h PHE 96 CO -0.04 -0.24 0.03 1.25 -1.61 0.00 0.00 178.31 177.70 3i3m h HIS 97 N -0.58 0.04 -0.41 -0.55 2.76 -1.05 -0.27 115.15 115.09 3i3m h HIS 97 Ca -0.05 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 3i3m h HIS 97 Cb 0.43 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 3i3m h HIS 97 CO -0.03 -0.01 0.01 -0.91 -1.30 0.00 0.00 177.93 175.68 3i3m h ASN 98 N 0.13 0.70 -0.44 3.26 2.35 -1.17 -1.80 115.58 118.60 3i3m h ASN 98 Ca 0.14 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 3i3m h ASN 98 Cb 0.17 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3i3m h ASN 98 CO -0.21 0.83 0.08 0.25 -1.65 0.00 0.00 177.43 176.73 3i3m h LEU 99 N 0.55 0.70 -0.19 1.61 7.12 -1.14 -2.12 115.31 121.82 3i3m h LEU 99 Ca 0.12 -0.26 0.02 0.00 0.13 0.00 0.00 57.88 57.89 3i3m h LEU 99 Cb 0.47 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.39 3i3m h LEU 99 CO 0.02 0.78 0.05 0.00 -0.13 0.00 0.00 178.44 179.16 3i3m h GLN 101 N 0.14 1.19 -0.58 0.00 7.50 -1.24 0.12 115.11 122.23 3i3m h GLN 101 Ca 0.09 -0.20 -0.03 0.00 0.50 0.00 0.00 58.65 59.00 3i3m h GLN 101 Cb 0.07 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.37 3i3m h GLN 101 CO -0.10 0.94 0.23 0.00 -1.50 0.00 0.00 178.83 178.41 3i3m h ARG 102 N 1.16 0.86 -0.38 1.46 3.08 -1.04 -0.90 114.38 118.63 3i3m h ARG 102 Ca 0.27 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 3i3m h ARG 102 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3i3m h ARG 102 CO -0.03 0.74 -0.03 0.00 -1.07 0.00 0.00 179.97 179.58 3i3m h ALA 103 N 1.08 0.51 -0.60 0.04 0.00 -0.75 -2.10 119.26 117.44 3i3m h ALA 103 Ca 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3i3m h ALA 103 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i3m h ALA 103 CO -0.02 0.31 0.35 0.00 0.00 0.00 0.00 179.25 179.90 3i3m h ALA 104 N 0.86 0.76 -0.38 0.00 0.00 -0.80 -1.05 119.26 118.65 3i3m h ALA 104 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i3m h ALA 104 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3i3m h ALA 104 CO 0.03 0.25 0.24 1.15 0.00 0.00 0.00 179.25 180.92 3i3m h THR 105 N 0.81 1.11 -0.21 0.00 2.02 -1.08 0.13 112.91 115.70 3i3m h THR 105 Ca 0.21 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3i3m h THR 105 Cb -0.00 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3i3m h THR 105 CO -0.04 0.11 0.05 0.00 0.37 0.00 0.00 175.52 176.01 3i3m h ALA 106 N 1.12 1.70 -0.00 6.16 0.00 -1.05 -1.84 119.26 125.35 3i3m h ALA 106 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i3m h ALA 106 Cb -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i3m h ALA 106 CO -0.03 0.24 -0.06 0.00 0.00 0.00 0.00 179.25 179.40 3i3m n ALA 107 N -2.50 2.58 0.00 0.00 0.00 -0.43 -4.91 120.51 115.25 3i3m n ALA 107 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i3m n ALA 107 Cb 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3i3m n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3m n GLY 108 N 1.36 1.06 2.44 0.00 0.00 -0.69 -4.95 105.19 104.42 3i3m n GLY 108 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3i3m n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i3m n TYR 109 N -1.83 2.54 0.27 1.61 4.02 0.40 -4.96 117.16 119.20 3i3m n TYR 109 Ca 0.00 -4.02 0.11 0.00 -0.01 0.00 0.00 57.90 53.99 3i3m n TYR 109 Cb 0.00 -0.48 0.74 0.00 -0.02 0.00 0.00 39.34 39.57 3i3m n TYR 109 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3i3m h PRO 110 N 4.39 0.00 -0.64 -0.72 0.13 -1.81 -3.07 132.00 130.28 3i3m h PRO 110 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3i3m h PRO 110 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3i3m h PRO 110 CO 0.72 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.32 3i3m n ASP 111 N -3.94 3.81 -4.68 1.44 8.00 -1.26 -4.83 116.55 115.09 3i3m n ASP 111 Ca -0.02 -2.21 -0.42 0.00 0.71 0.00 0.00 54.79 52.85 3i3m n ASP 111 Cb 0.17 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 3i3m n ASP 111 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i3m s PHE 112 N -1.51 2.04 -0.48 1.24 5.36 -1.16 -4.96 117.98 118.51 3i3m s PHE 112 Ca 0.43 0.02 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 3i3m s PHE 112 Cb 0.25 -4.09 0.14 0.00 -0.34 0.00 0.00 43.02 38.98 3i3m s PHE 112 CO 0.25 -4.56 0.28 -0.65 -1.46 0.00 0.00 175.22 169.07 3i3m s GLN 113 N 3.22 1.50 0.50 10.12 -1.52 -1.26 -4.87 119.66 127.35 3i3m s GLN 113 Ca 0.79 -2.26 -0.21 0.00 -1.95 0.00 0.00 55.36 51.73 3i3m s GLN 113 Cb -0.42 -2.56 -0.06 0.00 -0.22 0.00 0.00 33.01 29.75 3i3m s GLN 113 CO 0.35 -1.18 1.17 -1.25 -0.25 0.00 0.00 175.29 174.13 3i3m s PRO 114 N 0.03 3.54 -0.02 2.91 0.04 -1.26 -4.72 135.00 135.53 3i3m s PRO 114 Ca 0.19 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3i3m s PRO 114 Cb -0.21 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.13 3i3m s PRO 114 CO -0.03 -0.73 0.93 -0.40 0.04 0.00 0.00 177.00 176.81 3i3m n ASP 115 N -0.85 1.61 -3.61 6.66 5.68 -0.58 -4.95 116.55 120.50 3i3m n ASP 115 Ca 0.09 -1.95 -0.15 0.00 -0.50 0.00 0.00 54.79 52.28 3i3m n ASP 115 Cb 0.49 -0.06 -0.07 0.00 -1.14 0.00 0.00 41.12 40.34 3i3m n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i3m s ALA 116 N -1.01 -1.58 -0.11 2.12 0.00 -1.00 -1.16 121.76 119.02 3i3m s ALA 116 Ca 0.04 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 3i3m s ALA 116 Cb 0.03 -0.55 0.05 0.00 0.00 0.00 0.00 23.12 22.65 3i3m s ALA 116 CO 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 175.76 175.54 3i3m s LEU 118 N 2.20 4.14 -0.27 0.00 2.96 -0.34 -1.74 118.68 125.63 3i3m s LEU 118 Ca 0.04 0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 3i3m s LEU 118 Cb -0.14 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 3i3m s LEU 118 CO -0.06 -0.16 0.11 -0.63 -1.32 0.00 0.00 176.35 174.29 3i3m s ILE 119 N 1.60 4.57 -0.09 6.68 1.01 0.27 -0.79 121.20 134.46 3i3m s ILE 119 Ca 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 3i3m s ILE 119 Cb -0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3i3m s ILE 119 CO 0.09 0.27 -0.04 0.20 0.00 0.00 0.00 174.94 175.45 3i3m s ASN 120 N 1.64 4.83 -0.16 3.58 0.01 0.26 -1.77 114.94 123.33 3i3m s ASN 120 Ca 0.06 0.00 0.01 0.00 -0.71 0.00 0.00 52.86 52.23 3i3m s ASN 120 Cb -0.16 -1.37 0.02 0.00 0.41 0.00 0.00 41.25 40.16 3i3m s ASN 120 CO 0.06 0.33 -0.19 -0.60 -1.51 0.00 0.00 177.10 175.18 3i3m s ARG 121 N -0.61 2.86 -0.27 -0.60 3.52 0.85 -0.74 118.95 123.96 3i3m s ARG 121 Ca 0.09 -0.78 -0.07 0.00 -0.13 0.00 0.00 55.73 54.84 3i3m s ARG 121 Cb -0.12 -2.44 -0.02 0.00 -1.56 0.00 0.00 34.95 30.82 3i3m s ARG 121 CO 0.02 -0.17 0.08 0.71 -0.81 0.00 0.00 175.30 175.13 3i3m s TYR 122 N 1.21 3.11 0.57 5.12 1.51 0.11 -1.78 117.35 127.19 3i3m s TYR 122 Ca 0.02 -0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 55.45 3i3m s TYR 122 Cb -0.14 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.49 3i3m s TYR 122 CO -0.10 -0.44 0.83 0.00 -1.11 0.00 0.00 175.55 174.73 3i3m s ALA 123 N 1.58 3.56 0.26 3.71 0.00 -1.26 -1.66 121.76 127.95 3i3m s ALA 123 Ca 0.05 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 3i3m s ALA 123 Cb -0.16 -2.33 -0.13 0.00 0.00 0.00 0.00 23.12 20.50 3i3m s ALA 123 CO 0.03 -0.77 1.39 -2.30 0.00 0.00 0.00 175.76 174.11 3i3m n PRO 124 N -2.45 2.06 0.00 0.00 -0.02 -1.26 -1.20 135.00 132.13 3i3m n PRO 124 Ca 0.05 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3i3m n PRO 124 Cb 0.59 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3i3m n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i3m n GLY 125 N 1.93 2.76 3.76 -1.23 0.00 0.10 -4.89 105.19 107.63 3i3m n GLY 125 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3i3m n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3m s ALA 126 N -2.04 2.84 0.13 4.61 0.00 -0.34 -4.25 121.76 122.72 3i3m s ALA 126 Ca 0.00 1.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 3i3m s ALA 126 Cb 0.00 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 3i3m s ALA 126 CO 0.00 -0.88 0.25 -1.59 0.00 0.00 0.00 175.76 173.54 3i3m s LYS 127 N -2.91 1.01 -0.30 0.00 -2.85 -1.26 -0.80 119.74 112.64 3i3m s LYS 127 Ca 0.68 -1.05 -0.01 0.00 -1.00 0.00 0.00 55.97 54.59 3i3m s LYS 127 Cb -0.30 0.37 0.09 0.00 -2.06 0.00 0.00 37.83 35.93 3i3m s LYS 127 CO 0.36 -0.35 0.08 -1.17 0.10 0.00 0.00 175.35 174.36 3i3m s LEU 128 N -2.91 2.21 0.76 2.77 2.96 -0.81 -4.31 118.68 119.35 3i3m s LEU 128 Ca 0.11 -1.55 -0.14 0.00 -0.22 0.00 0.00 54.13 52.33 3i3m s LEU 128 Cb 0.04 -0.87 0.06 0.00 0.50 0.00 0.00 46.19 45.92 3i3m s LEU 128 CO -0.06 -0.40 1.21 -0.94 -1.32 0.00 0.00 176.35 174.85 3i3m s SER 129 N 1.62 3.96 -0.11 3.68 1.04 -1.26 -1.04 113.70 121.58 3i3m s SER 129 Ca 0.08 2.36 -0.40 0.00 0.48 0.00 0.00 55.95 58.46 3i3m s SER 129 Cb -0.17 -2.59 -0.18 0.00 0.10 0.00 0.00 66.02 63.17 3i3m s SER 129 CO -0.22 -2.42 1.34 -0.11 0.98 0.00 0.00 173.24 172.80 3i3m n LEU 130 N -2.96 1.01 -3.90 2.42 7.94 -1.26 -4.73 117.00 115.52 3i3m n LEU 130 Ca 0.13 1.14 -0.09 0.00 -1.11 0.00 0.00 56.01 56.09 3i3m n LEU 130 Cb 0.50 -1.02 -0.02 0.00 0.53 0.00 0.00 43.42 43.42 3i3m n LEU 130 CO 0.48 -1.27 0.38 -1.38 -1.11 0.00 0.00 177.39 174.50 3i3m s HIS 131 N 1.18 0.14 0.08 1.96 -3.43 0.08 -4.89 115.29 110.42 3i3m s HIS 131 Ca 0.93 -0.62 0.08 0.00 -0.80 0.00 0.00 55.06 54.65 3i3m s HIS 131 Cb -1.20 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 30.46 3i3m s HIS 131 CO 0.60 -1.26 -0.18 -0.65 -2.00 0.00 0.00 174.74 171.25 3i3m s GLN 132 N -3.44 1.90 -0.94 -0.38 -0.21 -1.26 -0.87 119.66 114.45 3i3m s GLN 132 Ca 0.17 -1.10 -0.17 0.00 0.02 0.00 0.00 55.36 54.28 3i3m s GLN 132 Cb -0.04 -2.14 0.15 0.00 1.00 0.00 0.00 33.01 31.98 3i3m s GLN 132 CO 0.10 0.50 1.10 -0.51 -2.12 0.00 0.00 175.29 174.36 3i3m s ASP 133 N -1.84 6.70 -0.21 5.90 1.11 -1.26 -4.81 116.67 122.25 3i3m s ASP 133 Ca 0.16 -2.26 0.12 0.00 0.18 0.00 0.00 52.55 50.76 3i3m s ASP 133 Cb -0.11 -2.37 0.42 0.00 1.07 0.00 0.00 42.92 41.94 3i3m s ASP 133 CO 0.08 -0.95 1.26 2.29 1.18 0.00 0.00 175.17 179.04 3i3m n LYS 134 N 6.01 1.63 -0.19 8.23 2.85 -1.26 -4.63 118.16 130.80 3i3m n LYS 134 Ca 0.24 -3.18 0.10 0.00 -1.05 0.00 0.00 58.31 54.41 3i3m n LYS 134 Cb 0.48 -1.65 0.19 0.00 -0.65 0.00 0.00 35.03 33.40 3i3m n LYS 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i3m n ASP 135 N -1.15 3.21 -4.34 -5.58 10.43 -1.26 -4.90 116.55 112.95 3i3m n ASP 135 Ca 0.21 -1.92 -0.35 0.00 2.57 0.00 0.00 54.79 55.30 3i3m n ASP 135 Cb 0.76 -0.25 -0.14 0.00 1.84 0.00 0.00 41.12 43.34 3i3m n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3i3m s GLU 136 N -1.22 3.44 0.34 -1.24 8.01 -1.26 -4.90 118.70 121.87 3i3m s GLU 136 Ca 0.33 -0.59 0.05 0.00 0.01 0.00 0.00 54.97 54.77 3i3m s GLU 136 Cb 0.19 -3.09 0.62 0.00 -4.31 0.00 0.00 34.13 27.53 3i3m s GLU 136 CO 0.26 -0.20 1.86 -1.00 0.01 0.00 0.00 175.26 176.19 3i3m h PRO 137 N 8.15 0.46 -4.85 0.39 0.13 -1.86 -3.39 132.00 131.01 3i3m h PRO 137 Ca -0.41 -0.11 -0.69 0.00 -0.87 0.00 0.00 66.00 63.92 3i3m h PRO 137 Cb 1.16 -0.06 -0.19 0.00 0.13 0.00 0.00 31.00 32.05 3i3m h PRO 137 CO 0.60 0.53 0.44 0.34 -0.23 0.00 0.00 178.00 179.68 3i3m s ASP 138 N -6.78 6.40 0.00 1.44 3.68 -1.26 -4.88 116.67 115.27 3i3m s ASP 138 Ca -0.07 -1.70 0.20 0.00 2.13 0.00 0.00 52.55 53.11 3i3m s ASP 138 Cb 0.15 -2.35 1.09 0.00 -1.45 0.00 0.00 42.92 40.36 3i3m s ASP 138 CO 0.76 -1.10 1.58 0.18 0.13 0.00 0.00 175.17 176.72 3i3m n LEU 139 N 6.41 0.00 0.21 -1.34 4.77 -1.26 -2.81 117.00 122.98 3i3m n LEU 139 Ca 0.06 0.13 0.10 0.00 -0.03 0.00 0.00 56.01 56.27 3i3m n LEU 139 Cb 0.46 -0.13 0.30 0.00 -2.33 0.00 0.00 43.42 41.72 3i3m n LEU 139 CO 0.54 -0.05 0.76 0.03 -1.33 0.00 0.00 177.39 177.34 3i3m h ARG 140 N 0.00 0.00 -6.16 3.23 3.08 -1.97 -3.40 114.38 109.16 3i3m h ARG 140 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3i3m h ARG 140 Cb 0.08 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3i3m h ARG 140 CO 0.00 0.19 0.07 0.00 -1.07 0.00 0.00 179.97 179.16 3i3m s ALA 141 N -3.35 3.41 0.92 0.04 0.00 -1.12 -4.77 121.76 116.88 3i3m s ALA 141 Ca 0.03 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 3i3m s ALA 141 Cb 0.08 -2.88 0.18 0.00 0.00 0.00 0.00 23.12 20.50 3i3m s ALA 141 CO 0.66 0.08 1.27 -1.25 0.00 0.00 0.00 175.76 176.52 3i3m s PRO 142 N 0.04 0.89 -0.16 0.00 0.04 -1.26 -4.88 135.00 129.67 3i3m s PRO 142 Ca 0.35 -0.43 -0.03 0.00 0.04 0.00 0.00 61.00 60.93 3i3m s PRO 142 Cb -0.19 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3i3m s PRO 142 CO 0.20 -2.22 -0.06 0.42 0.04 0.00 0.00 177.00 175.37 3i3m s ILE 143 N -3.78 3.63 -0.23 0.56 -1.09 0.48 -4.61 121.20 116.17 3i3m s ILE 143 Ca 0.72 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3i3m s ILE 143 Cb -0.05 -2.59 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 3i3m s ILE 143 CO 0.52 0.49 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.95 3i3m s VAL 144 N 0.54 2.96 -0.20 2.92 1.01 -1.03 -1.73 120.40 124.86 3i3m s VAL 144 Ca -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3i3m s VAL 144 Cb -0.15 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.85 3i3m s VAL 144 CO 0.03 0.35 -0.15 -0.55 0.00 0.00 0.00 175.10 174.78 3i3m s SER 145 N 1.39 3.61 -0.21 3.32 0.15 0.78 -0.65 113.70 122.09 3i3m s SER 145 Ca 0.03 -0.71 -0.07 0.00 0.70 0.00 0.00 55.95 55.91 3i3m s SER 145 Cb -0.15 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 3i3m s SER 145 CO -0.05 -0.04 0.04 -0.69 1.20 0.00 0.00 173.24 173.70 3i3m s VAL 146 N 1.31 4.37 -0.08 4.45 1.01 0.32 -0.48 120.40 131.29 3i3m s VAL 146 Ca 0.03 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 3i3m s VAL 146 Cb -0.14 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3i3m s VAL 146 CO -0.09 0.41 0.30 -0.44 0.00 0.00 0.00 175.10 175.28 3i3m s SER 147 N 0.93 6.59 -0.03 3.32 0.01 0.39 -1.17 113.70 123.75 3i3m s SER 147 Ca 0.03 0.70 -0.02 0.00 1.31 0.00 0.00 55.95 57.97 3i3m s SER 147 Cb -0.14 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 63.92 3i3m s SER 147 CO 0.02 0.29 0.06 -0.76 0.41 0.00 0.00 173.24 173.27 3i3m s LEU 148 N -0.66 1.55 0.00 2.44 1.43 -0.21 -0.58 118.68 122.65 3i3m s LEU 148 Ca 0.19 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3i3m s LEU 148 Cb -0.14 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.25 3i3m s LEU 148 CO 0.08 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3i3m n GLY 149 N 3.35 0.68 3.72 -3.19 0.00 -1.26 -0.59 105.19 107.90 3i3m n GLY 149 Ca -0.16 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 3i3m n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i3m n LEU 150 N 0.00 4.98 -4.80 0.99 4.77 -1.00 -3.64 117.00 118.30 3i3m n LEU 150 Ca 0.00 0.99 -0.34 0.00 -0.03 0.00 0.00 56.01 56.64 3i3m n LEU 150 Cb 0.00 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 39.54 3i3m n LEU 150 CO 0.00 -0.72 0.72 -2.16 -1.33 0.00 0.00 177.39 173.91 3i3m s PRO 151 N -2.70 3.56 0.08 3.23 0.04 -1.26 -4.68 135.00 133.26 3i3m s PRO 151 Ca 0.69 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 3i3m s PRO 151 Cb -0.44 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 3i3m s PRO 151 CO 0.51 -0.63 0.14 0.00 0.04 0.00 0.00 177.00 177.06 3i3m s ALA 152 N -2.13 -0.05 -0.28 8.56 0.00 -0.67 -4.56 121.76 122.63 3i3m s ALA 152 Ca 0.67 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 3i3m s ALA 152 Cb -0.17 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 3i3m s ALA 152 CO 0.27 -0.47 0.22 0.42 0.00 0.00 0.00 175.76 176.20 3i3m s ILE 153 N -3.83 5.29 -0.20 0.00 -1.09 -1.26 -0.38 121.20 119.74 3i3m s ILE 153 Ca 0.05 0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.60 3i3m s ILE 153 Cb 0.05 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 3i3m s ILE 153 CO -0.11 0.24 0.15 0.12 -1.23 0.00 0.00 174.94 174.12 3i3m s PHE 154 N 1.79 3.41 -0.17 3.97 5.36 0.55 -1.54 117.98 131.35 3i3m s PHE 154 Ca 0.08 0.35 -0.09 0.00 -0.96 0.00 0.00 56.93 56.31 3i3m s PHE 154 Cb -0.16 -2.19 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 3i3m s PHE 154 CO 0.11 0.26 0.15 -0.65 -1.46 0.00 0.00 175.22 173.63 3i3m s GLN 155 N 0.43 3.99 -0.15 10.12 -0.21 0.62 -0.97 119.66 133.49 3i3m s GLN 155 Ca 0.09 -0.17 -0.02 0.00 0.02 0.00 0.00 55.36 55.28 3i3m s GLN 155 Cb -0.11 -3.36 0.05 0.00 1.00 0.00 0.00 33.01 30.59 3i3m s GLN 155 CO -0.01 0.43 0.02 0.12 -2.12 0.00 0.00 175.29 173.73 3i3m s PHE 156 N -0.03 0.93 0.00 0.91 5.36 -0.48 -1.57 117.98 123.09 3i3m s PHE 156 Ca 0.11 -0.63 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 3i3m s PHE 156 Cb -0.11 -0.96 0.00 0.00 -0.34 0.00 0.00 43.02 41.60 3i3m s PHE 156 CO 0.00 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 3i3m n GLY 157 N 5.08 1.54 0.00 13.12 0.00 0.36 -1.23 105.19 124.06 3i3m n GLY 157 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i3m n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3m n GLY 158 N 5.00 5.57 0.11 -0.02 0.00 -1.26 -4.58 105.19 110.01 3i3m n GLY 158 Ca 0.00 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.62 3i3m n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i3m h LEU 159 N 0.00 0.00 -9.00 0.99 3.38 -1.94 0.11 115.31 108.85 3i3m h LEU 159 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 3i3m h LEU 159 Cb 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.54 3i3m h LEU 159 CO 0.00 0.00 -0.77 -0.54 0.09 0.00 0.00 178.44 177.22 3i3m s LYS 160 N -3.12 2.33 0.55 1.13 1.02 -1.26 -4.90 119.74 115.49 3i3m s LYS 160 Ca 0.10 -0.82 0.24 0.00 0.02 0.00 0.00 55.97 55.50 3i3m s LYS 160 Cb 0.12 -2.33 1.46 0.00 -0.52 0.00 0.00 37.83 36.56 3i3m s LYS 160 CO 0.59 0.58 2.08 -0.09 -0.92 0.00 0.00 175.35 177.60 3i3m h ARG 161 N 4.80 0.00 -0.05 1.68 2.43 -2.02 -1.33 114.38 119.90 3i3m h ARG 161 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3i3m h ARG 161 Cb 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3i3m h ARG 161 CO 0.50 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.23 3i3m n ASN 162 N -4.23 1.81 -4.76 -3.80 6.94 -1.26 -4.94 115.26 105.02 3i3m n ASN 162 Ca 0.03 -1.62 -0.36 0.00 -0.02 0.00 0.00 54.58 52.61 3i3m n ASN 162 Cb 0.34 -0.02 0.02 0.00 -2.36 0.00 0.00 39.78 37.77 3i3m n ASN 162 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3i3m s ASP 163 N -1.93 5.39 0.31 0.53 1.01 -0.50 -4.93 116.67 116.54 3i3m s ASP 163 Ca 0.36 2.31 -0.29 0.00 0.71 0.00 0.00 52.55 55.64 3i3m s ASP 163 Cb 0.20 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.41 3i3m s ASP 163 CO 0.32 -1.45 1.23 -0.81 0.21 0.00 0.00 175.17 174.67 3i3m n PRO 164 N -1.49 1.91 -4.30 8.23 -0.04 -1.26 -4.66 135.00 133.38 3i3m n PRO 164 Ca 0.13 0.67 -0.35 0.00 -0.04 0.00 0.00 63.50 63.91 3i3m n PRO 164 Cb 0.50 -2.21 -0.09 0.00 -0.04 0.00 0.00 33.50 31.66 3i3m n PRO 164 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i3m s LEU 165 N -0.47 3.65 -0.00 1.53 1.43 -1.26 -4.38 118.68 119.18 3i3m s LEU 165 Ca 0.58 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 3i3m s LEU 165 Cb -0.62 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 3i3m s LEU 165 CO 0.60 0.35 0.33 -0.54 0.23 0.00 0.00 176.35 177.32 3i3m s LYS 166 N -0.72 3.74 -0.23 1.70 1.02 -0.36 -4.91 119.74 119.97 3i3m s LYS 166 Ca 0.12 0.18 -0.01 0.00 0.02 0.00 0.00 55.97 56.27 3i3m s LYS 166 Cb -0.12 -3.14 0.02 0.00 -0.52 0.00 0.00 37.83 34.08 3i3m s LYS 166 CO 0.02 0.67 -0.09 1.03 -0.92 0.00 0.00 175.35 176.07 3i3m s ARG 167 N -1.38 2.88 -0.08 1.68 0.52 -1.26 -1.39 118.95 119.93 3i3m s ARG 167 Ca 0.25 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 3i3m s ARG 167 Cb -0.15 -2.91 0.01 0.00 0.52 0.00 0.00 34.95 32.42 3i3m s ARG 167 CO 0.13 -0.35 -0.18 -0.51 0.02 0.00 0.00 175.30 174.41 3i3m s LEU 168 N 1.32 1.86 0.18 2.53 2.01 -0.15 -4.95 118.68 121.48 3i3m s LEU 168 Ca 0.01 -0.42 -0.30 0.00 0.01 0.00 0.00 54.13 53.44 3i3m s LEU 168 Cb -0.16 -1.09 -0.08 0.00 0.01 0.00 0.00 46.19 44.87 3i3m s LEU 168 CO -0.06 0.10 1.15 -0.22 1.01 0.00 0.00 176.35 178.33 3i3m s LEU 169 N 0.47 4.47 -0.17 1.79 2.96 -1.26 -0.33 118.68 126.61 3i3m s LEU 169 Ca -0.16 2.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.93 3i3m s LEU 169 Cb -0.16 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.93 3i3m s LEU 169 CO 0.06 -0.30 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.84 3i3m s LEU 170 N -0.29 2.23 0.40 -0.68 1.43 0.49 -4.91 118.68 117.35 3i3m s LEU 170 Ca 0.51 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 3i3m s LEU 170 Cb -0.31 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3i3m s LEU 170 CO 0.36 0.03 0.19 -1.61 0.23 0.00 0.00 176.35 175.54 3i3m s GLU 171 N 1.13 2.27 -0.23 1.70 2.02 -1.26 -1.67 118.70 122.65 3i3m s GLU 171 Ca 0.01 -1.76 -0.40 0.00 0.02 0.00 0.00 54.97 52.83 3i3m s GLU 171 Cb -0.14 -2.05 -0.16 0.00 0.10 0.00 0.00 34.13 31.87 3i3m s GLU 171 CO -0.08 -0.07 1.64 1.58 0.02 0.00 0.00 175.26 178.34 3i3m n HIS 172 N -1.24 1.88 0.00 1.61 -0.00 -1.24 -1.12 115.22 115.11 3i3m n HIS 172 Ca -0.01 0.65 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 3i3m n HIS 172 Cb 0.64 -2.40 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 3i3m n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i3m n GLY 173 N 3.80 1.84 3.77 1.57 0.00 0.25 -4.65 105.19 111.76 3i3m n GLY 173 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3i3m n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i3m s ASP 174 N -1.63 6.73 -0.08 1.61 -0.00 -0.27 -0.27 116.67 122.76 3i3m s ASP 174 Ca 0.00 2.61 0.02 0.00 -0.00 0.00 0.00 52.55 55.18 3i3m s ASP 174 Cb 0.00 -2.64 0.01 0.00 -0.00 0.00 0.00 42.92 40.29 3i3m s ASP 174 CO 0.00 -0.55 -0.13 -0.69 -0.00 0.00 0.00 175.17 173.80 3i3m s VAL 175 N -1.19 1.25 -0.10 -1.27 1.01 -0.48 -0.46 120.40 119.16 3i3m s VAL 175 Ca 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3i3m s VAL 175 Cb -0.38 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3i3m s VAL 175 CO 0.50 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 175.19 3i3m s VAL 176 N 0.83 3.35 -0.07 2.92 1.01 0.37 0.42 120.40 129.23 3i3m s VAL 176 Ca -0.11 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3i3m s VAL 176 Cb -0.15 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.84 3i3m s VAL 176 CO 0.02 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.84 3i3m s VAL 177 N -0.14 1.22 0.01 2.92 1.01 -0.43 -0.16 120.40 124.83 3i3m s VAL 177 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3i3m s VAL 177 Cb -0.13 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3i3m s VAL 177 CO 0.03 0.37 -0.02 -1.66 0.00 0.00 0.00 175.10 173.82 3i3m s TRP 178 N 0.59 0.18 0.00 5.22 -2.14 -0.71 -0.98 118.94 121.10 3i3m s TRP 178 Ca -0.14 -0.27 0.00 0.00 2.66 0.00 0.00 56.10 58.35 3i3m s TRP 178 Cb -0.16 -0.13 0.00 0.00 -3.10 0.00 0.00 33.47 30.09 3i3m s TRP 178 CO 0.04 -0.09 0.00 0.41 -2.66 0.00 0.00 176.95 174.65 3i3m n GLY 179 N 2.32 0.77 7.00 3.67 0.00 -0.90 -0.39 105.19 117.68 3i3m n GLY 179 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i3m n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3m n GLY 180 N 0.00 3.49 0.35 -0.02 0.00 -1.26 -1.72 105.19 106.03 3i3m n GLY 180 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3i3m n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i3m h GLU 181 N 0.00 0.43 -0.58 1.61 4.81 -1.91 -2.24 114.58 116.70 3i3m h GLU 181 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3i3m h GLU 181 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3i3m h GLU 181 CO 0.00 0.28 0.00 -1.13 -0.73 0.00 0.00 179.01 177.43 3i3m n SER 182 N -4.47 3.47 -0.35 1.04 3.41 -0.70 -4.58 113.62 111.44 3i3m n SER 182 Ca 0.10 -1.98 0.13 0.00 -0.26 0.00 0.00 58.87 56.85 3i3m n SER 182 Cb 0.35 -0.38 0.32 0.00 -0.26 0.00 0.00 64.21 64.25 3i3m n SER 182 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i3m h ARG 183 N 4.00 0.75 -0.59 4.33 9.65 -1.28 -1.82 114.38 129.42 3i3m h ARG 183 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3i3m h ARG 183 Cb 0.90 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.32 3i3m h ARG 183 CO 0.00 0.49 0.00 1.28 2.80 0.00 0.00 179.97 184.54 3i3m n LEU 184 N -4.73 5.02 -4.77 3.80 4.77 -1.26 -4.71 117.00 115.11 3i3m n LEU 184 Ca 0.23 -2.66 -0.39 0.00 -0.03 0.00 0.00 56.01 53.16 3i3m n LEU 184 Cb 0.56 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3i3m n LEU 184 CO 0.22 0.74 0.95 -0.36 -1.33 0.00 0.00 177.39 177.61 3i3m s PHE 185 N -2.23 2.75 0.44 -1.77 2.99 -0.68 -4.73 117.98 114.74 3i3m s PHE 185 Ca 0.51 1.42 -0.24 0.00 0.00 0.00 0.00 56.93 58.62 3i3m s PHE 185 Cb 0.36 -3.65 -0.08 0.00 0.00 0.00 0.00 43.02 39.65 3i3m s PHE 185 CO 0.20 -2.13 1.21 0.71 -0.00 0.00 0.00 175.22 175.21 3i3m s TYR 186 N -1.31 2.87 0.21 0.36 2.02 0.40 -4.64 117.35 117.27 3i3m s TYR 186 Ca 0.60 1.51 -0.23 0.00 -0.37 0.00 0.00 57.07 58.58 3i3m s TYR 186 Cb -0.37 -3.47 0.05 0.00 -0.40 0.00 0.00 41.96 37.77 3i3m s TYR 186 CO 0.47 -1.67 0.72 -3.38 -1.57 0.00 0.00 175.55 170.13 3i3m s HIS 187 N -1.43 -0.30 0.03 2.71 -3.43 -0.05 -0.49 115.29 112.33 3i3m s HIS 187 Ca 0.61 -0.05 -0.27 0.00 -0.80 0.00 0.00 55.06 54.55 3i3m s HIS 187 Cb -0.32 0.65 0.09 0.00 -1.43 0.00 0.00 32.58 31.57 3i3m s HIS 187 CO 0.39 -1.03 1.23 0.20 -2.00 0.00 0.00 174.74 173.53 3i3m s GLY 188 N -2.85 -0.11 -0.09 -1.38 0.00 -0.61 -0.74 107.32 101.54 3i3m s GLY 188 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.87 3i3m s GLY 188 CO -0.01 4.15 -0.17 -0.42 0.00 0.00 0.00 173.10 176.65 3i3m s ILE 189 N -2.12 1.52 0.58 0.90 -1.09 -0.21 -0.27 121.20 120.51 3i3m s ILE 189 Ca 0.26 -0.70 -0.15 0.00 -2.23 0.00 0.00 60.65 57.83 3i3m s ILE 189 Cb -0.00 -1.36 -0.05 0.00 -1.58 0.00 0.00 42.46 39.47 3i3m s ILE 189 CO 0.00 0.44 1.03 -1.10 -1.23 0.00 0.00 174.94 174.08 3i3m s GLN 190 N 0.62 3.54 -0.33 2.79 -0.21 -0.59 -1.92 119.66 123.57 3i3m s GLN 190 Ca -0.14 1.01 -0.44 0.00 0.02 0.00 0.00 55.36 55.81 3i3m s GLN 190 Cb -0.16 -2.07 -0.19 0.00 1.00 0.00 0.00 33.01 31.58 3i3m s GLN 190 CO 0.04 -0.61 1.50 -2.30 -2.12 0.00 0.00 175.29 171.81 3i3m n PRO 191 N -2.12 0.26 -1.84 2.91 -0.02 -1.26 -4.64 135.00 128.29 3i3m n PRO 191 Ca 0.07 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 3i3m n PRO 191 Cb 0.54 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 3i3m n PRO 191 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i3m s LEU 192 N 2.35 4.38 0.41 2.45 2.96 0.02 -4.74 118.68 126.51 3i3m s LEU 192 Ca 1.00 2.64 -0.24 0.00 -0.22 0.00 0.00 54.13 57.31 3i3m s LEU 192 Cb -1.35 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 41.68 3i3m s LEU 192 CO 0.72 -0.92 1.06 -0.54 -1.32 0.00 0.00 176.35 175.36 3i3m s LYS 193 N 2.15 4.09 0.66 1.98 1.02 -1.26 0.03 119.74 128.41 3i3m s LYS 193 Ca 0.75 1.53 -0.16 0.00 0.02 0.00 0.00 55.97 58.11 3i3m s LYS 193 Cb -0.44 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3i3m s LYS 193 CO 0.33 -0.21 1.18 0.00 -0.92 0.00 0.00 175.35 175.73 3i3m s ALA 194 N -1.67 2.36 0.00 5.17 0.00 -1.26 -4.82 121.76 121.54 3i3m s ALA 194 Ca 0.59 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3i3m s ALA 194 Cb -0.22 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3i3m s ALA 194 CO 0.28 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 174.99 3i3m n GLY 195 N 0.17 -1.50 2.99 0.00 0.00 -1.26 -5.09 105.19 100.50 3i3m n GLY 195 Ca 0.13 -1.05 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 3i3m n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i3m s PHE 196 N -2.72 0.52 -0.02 1.61 5.36 -1.26 -4.69 117.98 116.78 3i3m s PHE 196 Ca 0.00 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 3i3m s PHE 196 Cb 0.00 -0.33 0.03 0.00 -0.34 0.00 0.00 43.02 42.38 3i3m s PHE 196 CO 0.00 -0.03 0.01 -1.58 -1.46 0.00 0.00 175.22 172.16 3i3m s HIS 197 N -0.49 0.23 0.57 10.12 5.65 -0.88 -4.93 115.29 125.56 3i3m s HIS 197 Ca -0.02 0.03 0.28 0.00 0.25 0.00 0.00 55.06 55.60 3i3m s HIS 197 Cb -0.04 -0.34 1.55 0.00 -1.18 0.00 0.00 32.58 32.56 3i3m s HIS 197 CO -0.00 -0.11 2.03 -1.00 -0.65 0.00 0.00 174.74 175.01 3i3m h PRO 198 N 7.17 0.00 0.00 2.88 0.13 -1.98 0.55 132.00 140.75 3i3m h PRO 198 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 3i3m h PRO 198 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3i3m h PRO 198 CO 0.48 0.00 -1.96 1.28 -0.23 0.00 0.00 178.00 177.57 3i3m n LEU 199 N -3.92 0.14 -0.01 1.56 4.77 -1.26 -4.52 117.00 113.75 3i3m n LEU 199 Ca 0.05 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3i3m n LEU 199 Cb 0.46 0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3i3m n LEU 199 CO 0.30 0.11 0.10 0.35 -1.33 0.00 0.00 177.39 176.92 3i3m n THR 200 N -2.45 0.00 0.00 -5.08 -2.24 -1.14 -5.04 114.28 98.33 3i3m n THR 200 Ca -0.11 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3i3m n THR 200 Cb 0.72 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 3i3m n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3i3m n ILE 201 N -0.59 0.00 -1.41 2.28 2.08 0.19 -3.36 119.36 118.55 3i3m n ILE 201 Ca 0.00 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.39 3i3m n ILE 201 Cb 0.01 0.00 0.15 0.00 -0.75 0.00 0.00 39.64 39.05 3i3m n ILE 201 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3i3m n ASP 202 N 2.90 1.86 -3.71 4.38 3.85 -1.26 -2.08 116.55 122.50 3i3m n ASP 202 Ca 0.00 -3.21 -0.11 0.00 -0.71 0.00 0.00 54.79 50.75 3i3m n ASP 202 Cb 0.00 -0.44 -0.05 0.00 -1.35 0.00 0.00 41.12 39.28 3i3m n ASP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i3m s ARG 204 N -3.62 2.50 0.11 0.00 3.52 -0.66 -2.39 118.95 118.41 3i3m s ARG 204 Ca 0.27 -0.89 0.08 0.00 -0.13 0.00 0.00 55.73 55.06 3i3m s ARG 204 Cb 0.00 -2.17 -0.04 0.00 -1.56 0.00 0.00 34.95 31.18 3i3m s ARG 204 CO 0.13 0.42 -0.15 0.71 -0.81 0.00 0.00 175.30 175.60 3i3m s TYR 205 N -0.26 2.61 -0.00 5.12 1.51 0.24 0.07 117.35 126.64 3i3m s TYR 205 Ca -0.01 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 3i3m s TYR 205 Cb -0.13 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.34 3i3m s TYR 205 CO 0.03 0.40 -0.02 1.21 -1.11 0.00 0.00 175.55 176.05 3i3m s ASN 206 N -2.13 0.30 -0.21 2.29 3.84 0.08 -1.04 114.94 118.07 3i3m s ASN 206 Ca 0.19 -0.04 -0.03 0.00 0.21 0.00 0.00 52.86 53.19 3i3m s ASN 206 Cb -0.11 -0.05 -0.00 0.00 -0.55 0.00 0.00 41.25 40.54 3i3m s ASN 206 CO 0.11 0.02 -0.07 -0.76 -2.79 0.00 0.00 177.10 173.61 3i3m s LEU 207 N 0.05 2.77 -0.33 3.21 1.43 -0.32 -0.57 118.68 124.92 3i3m s LEU 207 Ca -0.00 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3i3m s LEU 207 Cb -0.02 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.57 3i3m s LEU 207 CO -0.00 -0.01 0.05 -0.89 0.23 0.00 0.00 176.35 175.73 3i3m s THR 208 N 1.42 3.07 -0.03 5.49 2.01 0.03 -0.52 115.64 127.10 3i3m s THR 208 Ca 0.05 -1.57 -0.19 0.00 0.31 0.00 0.00 61.69 60.29 3i3m s THR 208 Cb -0.14 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 3i3m s THR 208 CO -0.05 -0.26 0.55 -0.36 -0.69 0.00 0.00 174.62 173.81 3i3m s PHE 209 N 1.22 3.66 0.11 4.92 0.40 0.18 -1.20 117.98 127.26 3i3m s PHE 209 Ca -0.01 1.11 -0.07 0.00 -0.60 0.00 0.00 56.93 57.35 3i3m s PHE 209 Cb -0.20 -2.55 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 3i3m s PHE 209 CO -0.02 0.35 0.19 1.03 0.70 0.00 0.00 175.22 177.48 3i3m s ARG 210 N -0.15 0.93 -0.45 0.44 0.52 -0.57 -2.47 118.95 117.20 3i3m s ARG 210 Ca 0.29 -1.09 -0.08 0.00 -0.52 0.00 0.00 55.73 54.33 3i3m s ARG 210 Cb -0.17 0.33 0.11 0.00 0.52 0.00 0.00 34.95 35.74 3i3m s ARG 210 CO 0.15 -0.30 0.31 -1.14 0.02 0.00 0.00 175.30 174.34 3i3m s GLN 211 N -3.92 2.45 0.13 3.54 0.74 -1.26 -1.53 119.66 119.81 3i3m s GLN 211 Ca 0.11 -1.71 0.21 0.00 0.05 0.00 0.00 55.36 54.02 3i3m s GLN 211 Cb 0.05 -3.86 -0.09 0.00 1.10 0.00 0.00 33.01 30.21 3i3m s GLN 211 CO -0.06 -1.13 0.89 0.00 -0.55 0.00 0.00 175.29 174.43 3i3m n ALA 212 N 4.88 2.46 -2.67 1.58 0.00 -1.26 -4.71 120.51 120.79 3i3m n ALA 212 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3i3m n ALA 212 Cb 0.41 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3i3m n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3m n GLY 213 N 1.24 5.39 3.87 0.00 0.00 -1.26 -4.47 105.19 109.96 3i3m n GLY 213 Ca -0.03 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3i3m n GLY 213 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60