#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll s THR 31 N 0.00 3.83 -0.58 3.15 2.01 -1.26 -4.86 115.64 117.93 3dll s THR 31 Ca 0.00 1.23 -0.26 0.00 0.31 0.00 0.00 61.69 62.97 3dll s THR 31 Cb 0.00 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 3dll s THR 31 CO 0.00 -0.15 2.37 -0.47 -0.69 0.00 0.00 174.62 175.67 3dll s TYR 32 N -1.88 1.14 0.00 4.92 5.04 -1.26 -4.91 117.35 120.40 3dll s TYR 32 Ca 0.63 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.88 3dll s TYR 32 Cb -0.18 -3.58 0.00 0.00 0.35 0.00 0.00 41.96 38.55 3dll s TYR 32 CO 0.22 -2.26 0.00 0.44 -1.34 0.00 0.00 175.55 172.61 3dll n ILE 33 N 8.15 0.00 0.00 3.14 -0.00 -1.26 -4.98 119.36 124.41 3dll n ILE 33 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.13 3dll n ILE 33 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 3dll n ILE 33 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 3dll n PRO 34 N -0.48 1.77 0.00 6.28 -0.04 -1.26 -4.89 135.00 136.38 3dll n PRO 34 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3dll n PRO 34 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3dll n PRO 34 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3dll n LYS 35 N 0.00 0.00 0.00 0.54 3.00 -1.26 -4.88 118.16 115.56 3dll n LYS 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3dll n LYS 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3dll n LYS 35 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3dll n ASN 36 N 0.00 0.00 -0.23 3.14 6.94 -1.26 -4.96 115.26 118.89 3dll n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3dll n ASN 36 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3dll n ASN 36 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3dll n ASP 37 N 3.27 0.00 0.00 0.53 5.68 -1.26 -4.71 116.55 120.06 3dll n ASP 37 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 3dll n ASP 37 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3dll n ASP 37 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3dll n GLU 38 N 0.14 0.00 -3.58 0.11 0.28 -1.26 -5.10 120.64 111.23 3dll n GLU 38 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 3dll n GLU 38 Cb 0.00 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.75 3dll n GLU 38 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 3dll s GLN 39 N -2.00 1.12 0.09 3.44 -2.07 -1.26 -5.03 119.66 113.95 3dll s GLN 39 Ca 0.00 -2.01 -0.35 0.00 -1.82 0.00 0.00 55.36 51.18 3dll s GLN 39 Cb 0.00 -1.93 -0.15 0.00 -1.09 0.00 0.00 33.01 29.85 3dll s GLN 39 CO 0.00 -1.25 1.54 -1.71 -1.32 0.00 0.00 175.29 172.55 3dll n ASN 40 N 3.31 2.63 -4.45 12.60 2.85 -1.26 -4.88 115.26 126.06 3dll n ASN 40 Ca 0.17 1.08 -0.33 0.00 -0.11 0.00 0.00 54.58 55.39 3dll n ASN 40 Cb 0.39 -1.33 -0.14 0.00 1.24 0.00 0.00 39.78 39.94 3dll n ASN 40 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 3dll s TRP 41 N 1.18 2.69 0.02 1.20 -0.11 -1.26 -2.94 118.94 119.72 3dll s TRP 41 Ca 0.83 -0.25 -0.12 0.00 1.22 0.00 0.00 56.10 57.77 3dll s TRP 41 Cb -0.79 -1.65 0.01 0.00 -1.50 0.00 0.00 33.47 29.55 3dll s TRP 41 CO 0.43 0.11 0.26 0.08 -4.62 0.00 0.00 176.95 173.21 3dll s VAL 42 N -0.57 0.08 0.02 5.86 1.01 0.13 -3.40 120.40 123.53 3dll s VAL 42 Ca 0.08 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3dll s VAL 42 Cb -0.11 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3dll s VAL 42 CO 0.01 -0.36 -0.24 -0.69 0.00 0.00 0.00 175.10 173.83 3dll s VAL 43 N -1.94 1.89 0.22 2.92 1.01 0.60 0.14 120.40 125.24 3dll s VAL 43 Ca -0.10 -1.20 0.06 0.00 0.00 0.00 0.00 61.98 60.74 3dll s VAL 43 Cb -0.03 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3dll s VAL 43 CO 0.00 0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 174.70 3dll s VAL 44 N -0.72 1.42 -0.08 2.92 1.01 0.16 -3.63 120.40 121.49 3dll s VAL 44 Ca 0.09 -2.11 0.05 0.00 0.00 0.00 0.00 61.98 60.02 3dll s VAL 44 Cb -0.09 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3dll s VAL 44 CO 0.01 -0.46 -0.24 -0.62 0.00 0.00 0.00 175.10 173.79 3dll s ASP 45 N -3.33 3.06 -0.77 3.32 -1.08 -1.26 -1.81 116.67 114.80 3dll s ASP 45 Ca 0.25 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.75 3dll s ASP 45 Cb 0.03 -1.08 0.19 0.00 -1.46 0.00 0.00 42.92 40.60 3dll s ASP 45 CO 0.08 0.21 0.61 0.00 0.52 0.00 0.00 175.17 176.58 3dll s ALA 46 N 0.06 3.96 0.10 3.66 0.00 -1.06 -4.82 121.76 123.65 3dll s ALA 46 Ca -0.10 -3.70 0.04 0.00 0.00 0.00 0.00 51.96 48.19 3dll s ALA 46 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 3dll s ALA 46 CO 0.06 -2.12 -0.10 -1.54 0.00 0.00 0.00 175.76 172.06 3dll s SER 47 N -0.36 1.52 0.00 0.00 1.04 -1.26 -2.71 113.70 111.93 3dll s SER 47 Ca 0.24 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3dll s SER 47 Cb -0.10 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.02 3dll s SER 47 CO -0.11 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3dll n GLY 48 N 0.45 0.00 3.70 7.32 0.00 -1.24 -4.62 105.19 110.80 3dll n GLY 48 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3dll n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dll s VAL 49 N 0.00 2.62 -0.04 1.61 1.01 -1.26 -4.32 120.40 120.01 3dll s VAL 49 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 3dll s VAL 49 Cb 0.00 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3dll s VAL 49 CO 0.00 0.01 1.68 -2.16 0.00 0.00 0.00 175.10 174.62 3dll s PRO 50 N 2.06 4.18 0.00 2.72 0.04 -1.26 -2.06 135.00 140.69 3dll s PRO 50 Ca 0.75 2.22 0.00 0.00 0.04 0.00 0.00 61.00 64.01 3dll s PRO 50 Cb -0.44 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.11 3dll s PRO 50 CO 0.33 -0.85 0.47 -0.11 0.04 0.00 0.00 177.00 176.88 3dll n LEU 51 N 7.12 0.00 -0.00 -3.56 7.94 -0.73 -1.28 117.00 126.49 3dll n LEU 51 Ca 0.17 0.47 -0.00 0.00 -1.11 0.00 0.00 56.01 55.55 3dll n LEU 51 Cb 0.43 -0.23 -0.00 0.00 0.53 0.00 0.00 43.42 44.14 3dll n LEU 51 CO 0.63 -0.23 0.30 0.61 -1.11 0.00 0.00 177.39 177.59 3dll n GLY 52 N -0.99 -1.89 0.36 -3.96 0.00 -1.26 0.12 105.19 97.56 3dll n GLY 52 Ca 0.00 0.36 0.16 0.00 0.00 0.00 0.00 46.02 46.54 3dll n GLY 52 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dll h ARG 53 N 0.00 0.61 -0.56 1.61 3.08 -1.57 0.13 114.38 117.68 3dll h ARG 53 Ca 0.00 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.08 3dll h ARG 53 Cb 0.00 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.85 3dll h ARG 53 CO -0.00 0.40 0.24 1.25 -1.07 0.00 0.00 179.97 180.79 3dll h LEU 54 N 0.63 0.29 0.03 3.04 5.85 0.19 -2.93 115.31 122.41 3dll h LEU 54 Ca 0.60 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.37 3dll h LEU 54 Cb 1.11 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3dll h LEU 54 CO -0.39 0.19 -0.06 0.00 -0.34 0.00 0.00 178.44 177.84 3dll h ALA 55 N 1.35 -0.69 -1.60 1.25 0.00 0.40 -0.63 119.26 119.34 3dll h ALA 55 Ca 0.27 -0.02 0.47 0.00 0.00 0.00 0.00 54.91 55.63 3dll h ALA 55 Cb 0.26 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3dll h ALA 55 CO -0.24 -0.70 1.14 2.41 0.00 0.00 0.00 179.25 181.87 3dll n THR 56 N -2.75 -0.02 -0.03 0.00 -1.04 -1.09 0.18 114.28 109.52 3dll n THR 56 Ca -0.01 1.27 -0.00 0.00 -2.04 0.00 0.00 64.05 63.27 3dll n THR 56 Cb 0.05 -2.12 -0.00 0.00 -1.82 0.00 0.00 70.33 66.45 3dll n THR 56 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3dll h LEU 57 N 0.00 -0.03 -0.67 -4.42 5.85 -1.21 -3.25 115.31 111.59 3dll h LEU 57 Ca 0.78 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.61 3dll h LEU 57 Cb 3.08 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 44.00 3dll h LEU 57 CO -0.05 0.37 -0.38 0.40 -0.34 0.00 0.00 178.44 178.44 3dll h ILE 58 N -0.82 0.11 0.00 4.05 1.08 0.34 -2.67 117.51 119.60 3dll h ILE 58 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3dll h ILE 58 Cb 0.02 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 3dll h ILE 58 CO 0.01 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.47 3dll n ALA 59 N -3.21 -0.00 -0.23 1.87 0.00 0.17 -1.04 120.51 118.07 3dll n ALA 59 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.44 3dll n ALA 59 Cb 0.36 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3dll n ALA 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dll n SER 60 N -1.08 -0.52 0.21 0.00 3.41 -1.03 0.35 113.62 114.95 3dll n SER 60 Ca 0.00 0.97 0.17 0.00 -0.26 0.00 0.00 58.87 59.75 3dll n SER 60 Cb 0.00 -0.15 0.82 0.00 -0.26 0.00 0.00 64.21 64.62 3dll n SER 60 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3dll h ARG 61 N 0.00 0.00 -0.01 4.33 3.08 -1.09 1.20 114.38 121.88 3dll h ARG 61 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3dll h ARG 61 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3dll h ARG 61 CO -0.52 0.00 0.00 -0.89 -1.07 0.00 0.00 179.97 177.49 3dll n ILE 62 N -3.86 0.01 -2.91 2.04 5.41 1.06 -1.32 119.36 119.78 3dll n ILE 62 Ca 0.01 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.67 3dll n ILE 62 Cb 0.30 -0.12 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 3dll n ILE 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3dll n ARG 63 N -0.55 0.42 -2.64 0.38 3.00 0.41 -4.29 116.66 113.39 3dll n ARG 63 Ca 0.22 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.64 3dll n ARG 63 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.63 3dll n ARG 63 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3dll s GLY 64 N 0.00 2.31 0.00 5.14 0.00 -1.22 -4.00 107.32 109.55 3dll s GLY 64 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3dll s GLY 64 CO 0.00 1.98 0.00 0.58 0.00 0.00 0.00 173.10 175.66 3dll n LYS 65 N 5.02 0.00 -0.24 2.90 2.85 -1.26 -4.75 118.16 122.67 3dll n LYS 65 Ca 0.09 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.37 3dll n LYS 65 Cb 0.48 -0.24 0.03 0.00 -0.65 0.00 0.00 35.03 34.66 3dll n LYS 65 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3dll n HIS 66 N -2.10 0.00 0.00 5.58 8.25 -1.26 -5.11 115.22 120.58 3dll n HIS 66 Ca 0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3dll n HIS 66 Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 3dll n HIS 66 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 3dll n ARG 67 N -0.36 0.00 0.00 -0.41 1.85 -1.26 -4.84 116.66 111.64 3dll n ARG 67 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 3dll n ARG 67 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 3dll n ARG 67 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dll n PRO 68 N 0.00 0.00 0.19 2.89 -0.02 -1.26 -3.48 135.00 133.32 3dll n PRO 68 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 3dll n PRO 68 Cb 0.00 -0.51 0.41 0.00 -0.02 0.00 0.00 33.50 33.38 3dll n PRO 68 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3dll h ASP 69 N 0.00 0.04 0.00 2.55 3.32 -1.90 -3.45 116.42 116.98 3dll h ASP 69 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dll h ASP 69 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3dll h ASP 69 CO 0.00 0.32 0.00 0.49 -1.72 0.00 0.00 179.24 178.33 3dll n PHE 70 N -4.20 0.00 -2.49 4.55 3.72 -1.23 -5.03 117.46 112.79 3dll n PHE 70 Ca -0.02 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 3dll n PHE 70 Cb 0.33 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 3dll n PHE 70 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3dll s THR 71 N -2.00 4.70 -0.25 4.37 -1.32 -1.26 -4.96 115.64 114.91 3dll s THR 71 Ca 0.00 0.83 -0.06 0.00 -1.21 0.00 0.00 61.69 61.25 3dll s THR 71 Cb 0.00 -3.77 -0.13 0.00 -1.51 0.00 0.00 72.50 67.09 3dll s THR 71 CO 0.00 -0.73 -0.27 -2.65 -2.21 0.00 0.00 174.62 168.75 3dll n PRO 72 N -1.78 0.57 -0.22 7.08 -0.02 -1.26 -4.50 135.00 134.88 3dll n PRO 72 Ca 0.04 0.19 0.19 0.00 -2.02 0.00 0.00 63.50 61.90 3dll n PRO 72 Cb 0.54 -1.45 0.29 0.00 -0.02 0.00 0.00 33.50 32.86 3dll n PRO 72 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dll n ASN 73 N -3.68 0.00 -4.03 2.55 3.02 -1.26 -4.07 115.26 107.79 3dll n ASN 73 Ca -0.47 0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 54.39 3dll n ASN 73 Cb 0.91 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.82 3dll n ASN 73 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3dll s MET 74 N -3.50 1.16 0.45 3.52 -1.94 -1.26 -5.15 119.30 112.58 3dll s MET 74 Ca -0.02 -1.29 -0.24 0.00 -1.71 0.00 0.00 55.69 52.43 3dll s MET 74 Cb 0.09 0.35 -0.07 0.00 2.01 0.00 0.00 34.83 37.21 3dll s MET 74 CO 0.32 -0.41 1.29 0.42 -0.01 0.00 0.00 175.02 176.62 3dll s ILE 75 N -4.01 2.57 0.00 2.53 1.01 -1.26 -4.88 121.20 117.16 3dll s ILE 75 Ca 0.22 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3dll s ILE 75 Cb 0.04 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.25 3dll s ILE 75 CO 0.03 0.04 0.00 0.00 0.00 0.00 0.00 174.94 175.00 3dll n GLN 76 N -0.30 0.00 -0.81 2.79 1.13 -1.26 -5.06 117.38 113.88 3dll n GLN 76 Ca 0.06 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.84 3dll n GLN 76 Cb 0.45 -0.16 0.08 0.00 0.11 0.00 0.00 30.24 30.71 3dll n GLN 76 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dll n GLY 77 N 0.00 -2.47 2.83 1.08 0.00 -1.26 -4.83 105.19 100.53 3dll n GLY 77 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3dll n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dll s ASP 78 N -1.35 4.24 0.00 1.61 1.01 -0.44 -4.78 116.67 116.96 3dll s ASP 78 Ca 0.35 -1.91 0.00 0.00 0.71 0.00 0.00 52.55 51.70 3dll s ASP 78 Cb 0.01 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.81 3dll s ASP 78 CO 0.50 -0.39 0.00 0.49 0.21 0.00 0.00 175.17 175.98 3dll n PHE 79 N 4.52 0.00 -4.44 4.23 3.01 -1.15 -4.50 117.46 119.13 3dll n PHE 79 Ca 0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.18 3dll n PHE 79 Cb 0.41 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.75 3dll n PHE 79 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3dll s VAL 80 N 0.00 2.32 -0.09 -4.37 1.01 -0.76 -0.69 120.40 117.81 3dll s VAL 80 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 61.98 60.29 3dll s VAL 80 Cb 0.00 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.39 3dll s VAL 80 CO 0.00 0.13 -0.04 -0.69 0.00 0.00 0.00 175.10 174.50 3dll s VAL 81 N -1.04 0.74 -0.03 2.92 1.01 0.37 -0.77 120.40 123.61 3dll s VAL 81 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 3dll s VAL 81 Cb -0.10 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 3dll s VAL 81 CO 0.06 0.32 0.31 -0.69 0.00 0.00 0.00 175.10 175.10 3dll s VAL 82 N 1.82 5.22 0.17 2.92 1.01 -0.39 0.39 120.40 131.53 3dll s VAL 82 Ca 0.05 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.65 3dll s VAL 82 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3dll s VAL 82 CO -0.07 0.53 -0.24 0.27 0.00 0.00 0.00 175.10 175.59 3dll s ILE 83 N -1.13 2.36 0.00 2.22 -4.36 -0.75 0.12 121.20 119.66 3dll s ILE 83 Ca 0.23 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 3dll s ILE 83 Cb -0.14 -2.10 0.00 0.00 1.25 0.00 0.00 42.46 41.46 3dll s ILE 83 CO 0.11 -0.03 0.00 0.59 0.24 0.00 0.00 174.94 175.85 3dll n ASN 84 N 0.51 0.00 0.00 4.36 3.02 0.34 -2.57 115.26 120.92 3dll n ASN 84 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 3dll n ASN 84 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 3dll n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dll n ALA 85 N 4.50 0.00 0.09 5.41 0.00 -1.18 -3.75 120.51 125.57 3dll n ALA 85 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3dll n ALA 85 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 3dll n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 86 N 0.00 0.24 -1.43 0.00 0.00 -1.25 0.34 120.51 118.42 3dll n ALA 86 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.57 3dll n ALA 86 Cb 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 19.45 19.37 3dll n ALA 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dll n GLN 87 N -2.10 0.75 -1.52 0.00 3.00 -1.26 -5.03 117.38 111.22 3dll n GLN 87 Ca 0.06 -1.77 -0.39 0.00 -0.01 0.00 0.00 57.00 54.88 3dll n GLN 87 Cb 0.79 -1.01 -0.09 0.00 0.00 0.00 0.00 30.24 29.93 3dll n GLN 87 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 3dll n VAL 88 N -0.72 -0.04 -1.30 5.09 3.14 1.05 -3.61 118.33 121.94 3dll n VAL 88 Ca 0.08 -0.41 -0.51 0.00 -2.96 0.00 0.00 64.34 60.54 3dll n VAL 88 Cb 0.64 -1.69 -0.07 0.00 -1.06 0.00 0.00 33.84 31.66 3dll n VAL 88 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3dll n ALA 89 N 13.18 -1.84 -2.53 1.55 0.00 -0.87 -4.48 120.51 125.52 3dll n ALA 89 Ca 0.51 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 54.06 3dll n ALA 89 Cb 0.29 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 3dll n ALA 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dll s LEU 90 N 1.41 2.90 0.29 0.00 2.96 -1.26 -1.78 118.68 123.20 3dll s LEU 90 Ca 0.78 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3dll s LEU 90 Cb -1.11 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 3dll s LEU 90 CO 0.57 0.26 0.52 -0.89 -1.32 0.00 0.00 176.35 175.49 3dll s THR 91 N -0.99 5.07 0.00 3.68 2.01 -1.26 -4.91 115.64 119.25 3dll s THR 91 Ca 0.16 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3dll s THR 91 Cb -0.11 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.64 3dll s THR 91 CO 0.07 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 3dll n GLY 92 N -1.06 0.00 2.80 4.40 0.00 -1.26 -3.97 105.19 106.10 3dll n GLY 92 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3dll n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dll s LYS 93 N 0.00 1.06 0.00 1.61 3.01 -1.26 -4.88 119.74 119.28 3dll s LYS 93 Ca 0.00 -1.53 0.18 0.00 -1.01 0.00 0.00 55.97 53.61 3dll s LYS 93 Cb 0.00 -2.39 0.04 0.00 -1.01 0.00 0.00 37.83 34.48 3dll s LYS 93 CO 0.00 -1.02 0.97 0.36 0.51 0.00 0.00 175.35 176.16 3dll n LYS 94 N 4.35 1.58 -0.78 1.68 2.85 -1.25 -4.24 118.16 122.34 3dll n LYS 94 Ca 0.02 -1.09 -0.00 0.00 -1.05 0.00 0.00 58.31 56.18 3dll n LYS 94 Cb 0.40 -1.33 0.27 0.00 -0.65 0.00 0.00 35.03 33.72 3dll n LYS 94 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3dll n LEU 95 N 0.27 4.93 0.00 -5.58 4.32 -1.26 -0.46 117.00 119.22 3dll n LEU 95 Ca 0.08 -3.27 0.00 0.00 -0.02 0.00 0.00 56.01 52.81 3dll n LEU 95 Cb 0.40 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 3dll n LEU 95 CO 0.19 0.85 0.00 -0.90 -1.22 0.00 0.00 177.39 176.31 3dll n ASP 96 N -0.47 0.00 0.00 -1.43 5.75 -1.26 -4.97 116.55 114.16 3dll n ASP 96 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 3dll n ASP 96 Cb 1.15 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.24 3dll n ASP 96 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3dll n ASP 97 N 0.00 0.00 -4.55 -1.12 2.03 -1.26 -4.24 116.55 107.40 3dll n ASP 97 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 3dll n ASP 97 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 3dll n ASP 97 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3dll n LYS 98 N 0.00 1.13 -3.59 -0.67 3.00 -1.26 -4.77 118.16 112.00 3dll n LYS 98 Ca 0.00 0.09 -0.28 0.00 -0.00 0.00 0.00 58.31 58.12 3dll n LYS 98 Cb 0.00 -3.25 -0.12 0.00 0.00 0.00 0.00 35.03 31.66 3dll n LYS 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3dll s VAL 99 N 11.22 1.11 -0.05 3.15 1.01 -1.26 -1.06 120.40 134.52 3dll s VAL 99 Ca 1.02 -2.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 3dll s VAL 99 Cb -0.30 -1.76 -0.25 0.00 0.00 0.00 0.00 36.38 34.07 3dll s VAL 99 CO 0.30 -1.06 1.28 0.00 0.00 0.00 0.00 175.10 175.62 3dll n TYR 100 N 3.07 0.04 -1.88 5.22 4.19 0.24 -4.60 117.16 123.43 3dll n TYR 100 Ca 0.19 -0.32 -0.41 0.00 3.31 0.00 0.00 57.90 60.66 3dll n TYR 100 Cb 0.40 -0.73 -0.02 0.00 0.49 0.00 0.00 39.34 39.48 3dll n TYR 100 CO 0.00 0.00 0.00 -0.08 0.91 0.00 0.00 176.86 177.69 3dll s THR 101 N 6.14 2.35 -0.08 2.97 -1.32 -1.26 -3.79 115.64 120.66 3dll s THR 101 Ca 0.48 0.29 -0.03 0.00 -1.21 0.00 0.00 61.69 61.21 3dll s THR 101 Cb 0.09 -3.18 0.04 0.00 -1.51 0.00 0.00 72.50 67.94 3dll s THR 101 CO 0.23 0.04 0.15 0.00 -2.21 0.00 0.00 174.62 172.83 3dll s ARG 102 N -0.26 0.02 -0.01 7.08 1.70 0.36 -4.95 118.95 122.89 3dll s ARG 102 Ca 0.63 0.53 -0.02 0.00 -0.47 0.00 0.00 55.73 56.39 3dll s ARG 102 Cb -0.45 -0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 33.60 3dll s ARG 102 CO 0.44 -0.30 0.14 0.71 -1.08 0.00 0.00 175.30 175.21 3dll s TYR 103 N 2.19 3.44 0.00 5.89 1.51 -1.26 -3.08 117.35 126.04 3dll s TYR 103 Ca 0.02 0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.38 3dll s TYR 103 Cb -0.12 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 3dll s TYR 103 CO -0.05 0.61 0.00 0.25 -1.11 0.00 0.00 175.55 175.25 3dll n THR 104 N 1.06 0.00 -0.96 -0.71 -2.24 -0.62 -5.01 114.28 105.79 3dll n THR 104 Ca -0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 3dll n THR 104 Cb 0.53 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 3dll n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dll n GLY 105 N 5.00 -2.95 1.98 3.38 0.00 -1.26 -4.34 105.19 107.00 3dll n GLY 105 Ca 0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3dll n GLY 105 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dll n TYR 106 N -3.60 0.16 -0.34 1.61 9.36 -1.26 -4.37 117.16 118.73 3dll n TYR 106 Ca -0.02 0.59 -0.12 0.00 3.32 0.00 0.00 57.90 61.67 3dll n TYR 106 Cb 0.75 -1.17 -0.01 0.00 -0.63 0.00 0.00 39.34 38.27 3dll n TYR 106 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3dll n GLN 107 N 0.77 0.82 -1.56 2.98 3.00 -1.26 -4.59 117.38 117.54 3dll n GLN 107 Ca 0.11 -0.92 -0.42 0.00 -0.01 0.00 0.00 57.00 55.76 3dll n GLN 107 Cb 0.08 -2.22 -0.01 0.00 0.00 0.00 0.00 30.24 28.08 3dll n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dll n GLY 108 N 3.98 4.02 3.13 1.08 0.00 -1.26 -4.17 105.19 111.97 3dll n GLY 108 Ca 0.20 -1.50 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 3dll n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dll n GLY 109 N 4.14 -0.53 2.15 -0.02 0.00 -1.26 -4.81 105.19 104.86 3dll n GLY 109 Ca 0.53 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.51 3dll n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dll n LEU 110 N -4.21 6.06 -2.04 0.99 4.77 -1.26 -4.69 117.00 116.61 3dll n LEU 110 Ca -0.09 -3.58 -0.18 0.00 -0.03 0.00 0.00 56.01 52.13 3dll n LEU 110 Cb 0.61 -1.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 3dll n LEU 110 CO 0.51 1.77 1.34 2.29 -1.33 0.00 0.00 177.39 181.96 3dll n LYS 111 N 2.30 1.93 -1.90 3.23 2.85 -1.26 -1.58 118.16 123.73 3dll n LYS 111 Ca 0.50 -1.64 -0.42 0.00 -1.05 0.00 0.00 58.31 55.70 3dll n LYS 111 Cb 0.73 -1.75 -0.03 0.00 -0.65 0.00 0.00 35.03 33.33 3dll n LYS 111 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3dll s THR 112 N -1.89 3.34 -0.17 0.58 2.01 -1.18 -4.87 115.64 113.47 3dll s THR 112 Ca 0.39 0.48 -0.07 0.00 0.31 0.00 0.00 61.69 62.80 3dll s THR 112 Cb 0.27 -3.31 0.07 0.00 0.01 0.00 0.00 72.50 69.55 3dll s THR 112 CO -0.07 -0.04 0.38 -1.83 -0.69 0.00 0.00 174.62 172.37 3dll s GLU 113 N 3.96 0.30 0.07 4.92 4.04 -1.26 0.14 118.70 130.86 3dll s GLU 113 Ca 0.78 0.89 0.04 0.00 0.04 0.00 0.00 54.97 56.72 3dll s GLU 113 Cb -0.37 0.14 -0.03 0.00 0.02 0.00 0.00 34.13 33.90 3dll s GLU 113 CO 0.33 -0.23 -0.12 0.95 -1.84 0.00 0.00 175.26 174.35 3dll s THR 114 N 2.18 0.96 0.61 1.83 -4.23 -1.25 -4.90 115.64 110.85 3dll s THR 114 Ca -0.04 -1.27 -0.18 0.00 -1.18 0.00 0.00 61.69 59.02 3dll s THR 114 Cb -0.11 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.73 3dll s THR 114 CO -0.12 -0.29 1.19 0.00 -0.54 0.00 0.00 174.62 174.86 3dll s ALA 115 N -1.38 2.50 0.16 3.99 0.00 -1.26 -0.60 121.76 125.17 3dll s ALA 115 Ca -0.03 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 3dll s ALA 115 Cb -0.10 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.61 3dll s ALA 115 CO 0.02 -1.22 1.56 -0.09 0.00 0.00 0.00 175.76 176.03 3dll h ARG 116 N 0.67 0.99 -0.18 0.00 9.65 -1.24 -0.79 114.38 123.48 3dll h ARG 116 Ca -0.50 -0.40 0.05 0.00 -1.10 0.00 0.00 59.98 58.03 3dll h ARG 116 Cb 1.29 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 3dll h ARG 116 CO 0.54 1.08 0.22 1.49 2.80 0.00 0.00 179.97 186.10 3dll h GLU 117 N 0.85 0.00 0.00 0.20 4.81 -1.06 0.79 114.58 120.16 3dll h GLU 117 Ca 0.12 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3dll h GLU 117 Cb 0.74 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3dll h GLU 117 CO 0.06 0.00 -0.16 0.00 -0.73 0.00 0.00 179.01 178.18 3dll h ALA 118 N 1.73 1.01 0.00 2.92 0.00 -1.40 -3.16 119.26 120.36 3dll h ALA 118 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dll h ALA 118 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3dll h ALA 118 CO -0.00 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.73 3dll n LEU 119 N -3.30 0.77 0.09 0.00 4.77 0.27 -2.06 117.00 117.55 3dll n LEU 119 Ca 0.00 -0.38 0.11 0.00 -0.03 0.00 0.00 56.01 55.71 3dll n LEU 119 Cb 0.41 -0.15 0.45 0.00 -2.33 0.00 0.00 43.42 41.80 3dll n LEU 119 CO 0.32 0.13 0.84 -1.20 -1.33 0.00 0.00 177.39 176.15 3dll n SER 120 N 0.72 0.51 0.00 -1.43 7.64 -1.19 -2.79 113.62 117.08 3dll n SER 120 Ca 0.00 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.49 3dll n SER 120 Cb 0.13 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 3dll n SER 120 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dll n LYS 121 N -2.05 0.00 -3.18 1.43 5.02 -0.87 -4.64 118.16 113.88 3dll n LYS 121 Ca 0.03 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.87 3dll n LYS 121 Cb 0.25 -0.20 -0.04 0.00 -0.02 0.00 0.00 35.03 35.02 3dll n LYS 121 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3dll s HIS 122 N -0.03 3.21 0.01 2.13 3.76 -1.23 -4.89 115.29 118.25 3dll s HIS 122 Ca 0.00 -1.27 -0.20 0.00 -0.15 0.00 0.00 55.06 53.44 3dll s HIS 122 Cb 0.00 -3.96 -0.21 0.00 1.11 0.00 0.00 32.58 29.52 3dll s HIS 122 CO 0.00 -1.20 1.15 -1.35 -0.85 0.00 0.00 174.74 172.50 3dll h PRO 123 N 8.83 0.41 -1.14 8.40 0.11 -1.78 -3.29 132.00 143.53 3dll h PRO 123 Ca -0.18 -0.38 0.36 0.00 0.11 0.00 0.00 66.00 65.91 3dll h PRO 123 Cb 1.08 0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 3dll h PRO 123 CO 1.02 1.03 0.71 0.93 -0.21 0.00 0.00 178.00 181.49 3dll h GLU 124 N -0.08 0.23 0.51 1.05 3.07 -1.90 -1.34 114.58 116.12 3dll h GLU 124 Ca -0.05 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 3dll h GLU 124 Cb 1.16 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 29.03 3dll h GLU 124 CO 0.10 0.15 -0.25 0.00 -1.40 0.00 0.00 179.01 177.61 3dll h ARG 125 N 0.23 -0.66 -0.55 2.33 2.47 -1.95 -3.15 114.38 113.09 3dll h ARG 125 Ca 0.74 0.05 0.23 0.00 -1.26 0.00 0.00 59.98 59.73 3dll h ARG 125 Cb 2.03 0.15 -0.09 0.00 -1.65 0.00 0.00 29.97 30.40 3dll h ARG 125 CO -0.45 -0.42 0.31 0.28 0.56 0.00 0.00 179.97 180.25 3dll n VAL 126 N -5.37 -0.21 0.02 2.04 0.31 -0.50 0.12 118.33 114.74 3dll n VAL 126 Ca -0.12 1.06 -0.01 0.00 -0.01 0.00 0.00 64.34 65.26 3dll n VAL 126 Cb 0.30 -1.72 -0.00 0.00 -0.91 0.00 0.00 33.84 31.50 3dll n VAL 126 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3dll h ILE 127 N 0.00 0.00 0.00 2.52 5.03 -1.69 -3.37 117.51 120.00 3dll h ILE 127 Ca 0.45 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 65.10 3dll h ILE 127 Cb 1.23 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.02 3dll h ILE 127 CO -0.39 0.00 0.00 -0.62 -0.68 0.00 0.00 178.15 176.46 3dll n GLU 128 N -2.40 0.00 -0.04 2.37 1.02 0.32 0.07 120.64 121.99 3dll n GLU 128 Ca -0.01 0.15 -0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3dll n GLU 128 Cb 0.02 -0.33 -0.00 0.00 -0.02 0.00 0.00 31.44 31.10 3dll n GLU 128 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3dll n HIS 129 N -0.54 0.00 0.00 -0.32 8.25 -0.90 0.21 115.22 121.93 3dll n HIS 129 Ca 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3dll n HIS 129 Cb 0.00 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.81 3dll n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dll n ALA 130 N 2.11 0.21 -0.06 -1.41 0.00 0.11 -4.76 120.51 116.72 3dll n ALA 130 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3dll n ALA 130 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 3dll n ALA 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dll h VAL 131 N 0.00 0.12 -0.85 0.00 2.07 0.54 -3.33 116.25 114.81 3dll h VAL 131 Ca 0.00 -1.11 0.16 0.00 0.82 0.00 0.00 66.70 66.57 3dll h VAL 131 Cb 0.00 0.24 -0.16 0.00 -1.52 0.00 0.00 31.29 29.86 3dll h VAL 131 CO 0.00 0.04 -0.26 0.15 0.02 0.00 0.00 177.57 177.52 3dll h PHE 132 N -1.00 -0.64 -1.92 1.57 3.57 -1.38 1.92 116.94 119.07 3dll h PHE 132 Ca -0.01 0.08 0.56 0.00 3.53 0.00 0.00 57.97 62.12 3dll h PHE 132 Cb 0.31 0.41 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 3dll h PHE 132 CO -0.07 -0.38 1.41 0.78 -2.23 0.00 0.00 178.31 177.81 3dll h GLY 133 N -0.02 0.00 1.18 2.40 0.00 -1.75 0.58 103.07 105.46 3dll h GLY 133 Ca 0.38 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.53 3dll h GLY 133 CO -0.88 0.00 -1.29 -0.33 0.00 0.00 0.00 176.54 174.04 3dll h MET 134 N 0.00 0.00 -6.80 4.80 2.86 0.29 -3.47 114.93 112.61 3dll h MET 134 Ca 0.91 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 58.07 3dll h MET 134 Cb 3.71 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 35.35 3dll h MET 134 CO -0.01 0.38 0.14 -0.51 1.06 0.00 0.00 176.91 177.97 3dll s LEU 135 N -5.96 4.00 0.88 1.22 1.43 0.20 -5.02 118.68 115.43 3dll s LEU 135 Ca -0.02 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.24 3dll s LEU 135 Cb 0.08 -4.15 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 3dll s LEU 135 CO 0.80 -0.26 -0.40 -2.65 0.23 0.00 0.00 176.35 174.07 3dll n PRO 136 N -0.57 -0.02 0.04 1.29 -0.02 -1.26 -4.95 135.00 129.51 3dll n PRO 136 Ca 0.04 0.01 -0.09 0.00 -2.02 0.00 0.00 63.50 61.43 3dll n PRO 136 Cb 0.53 -1.20 -0.13 0.00 -0.02 0.00 0.00 33.50 32.69 3dll n PRO 136 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dll h LYS 137 N -0.85 0.04 0.00 -0.52 3.64 -1.94 -3.38 116.57 113.55 3dll h LYS 137 Ca -0.44 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3dll h LYS 137 Cb 1.33 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3dll h LYS 137 CO 0.30 0.86 0.00 0.41 -2.27 0.00 0.00 179.45 178.75 3dll n GLY 138 N 1.47 -1.69 0.10 5.01 0.00 -1.26 -4.48 105.19 104.34 3dll n GLY 138 Ca -0.08 -0.57 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 3dll n GLY 138 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dll h ARG 139 N 0.00 -0.10 -0.15 1.61 3.08 -1.99 -2.71 114.38 114.12 3dll h ARG 139 Ca 0.00 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3dll h ARG 139 Cb 0.00 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 3dll h ARG 139 CO 0.00 0.33 -0.28 0.37 -1.07 0.00 0.00 179.97 179.33 3dll h GLN 140 N -0.96 -0.32 -0.50 0.04 4.15 -1.96 -0.62 115.11 114.94 3dll h GLN 140 Ca -0.01 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.51 3dll h GLN 140 Cb 0.48 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.15 3dll h GLN 140 CO 0.02 -0.22 -0.45 0.78 -1.93 0.00 0.00 178.83 177.03 3dll h GLY 141 N -0.34 -0.57 -0.41 2.39 0.00 -1.78 0.40 103.07 102.76 3dll h GLY 141 Ca 0.10 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.11 3dll h GLY 141 CO -0.34 -0.16 -0.38 3.21 0.00 0.00 0.00 176.54 178.87 3dll h ARG 142 N -0.28 -0.20 0.00 4.80 3.08 -1.00 0.86 114.38 121.63 3dll h ARG 142 Ca 0.15 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3dll h ARG 142 Cb 0.57 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3dll h ARG 142 CO -0.64 -0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.13 3dll n ALA 143 N -3.13 1.26 0.04 0.04 0.00 0.14 -2.95 120.51 115.91 3dll n ALA 143 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 3dll n ALA 143 Cb 0.35 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 3dll n ALA 143 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3dll h MET 144 N 0.00 -0.17 -0.38 0.00 2.86 0.49 -3.31 114.93 114.42 3dll h MET 144 Ca 0.00 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 3dll h MET 144 Cb 0.11 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3dll h MET 144 CO 0.00 -0.11 0.27 1.58 1.06 0.00 0.00 176.91 179.71 3dll n HIS 145 N -3.96 0.00 0.00 -0.22 -0.00 -0.97 -0.50 115.22 109.58 3dll n HIS 145 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 3dll n HIS 145 Cb 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 3dll n HIS 145 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3dll n THR 146 N -2.40 0.00 0.09 3.57 -1.04 -1.25 -2.17 114.28 111.09 3dll n THR 146 Ca 0.09 0.94 0.03 0.00 -2.04 0.00 0.00 64.05 63.06 3dll n THR 146 Cb 0.39 -1.65 0.05 0.00 -1.82 0.00 0.00 70.33 67.29 3dll n THR 146 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3dll n ARG 147 N -0.68 0.01 -2.72 -2.82 1.74 0.35 -4.02 116.66 108.51 3dll n ARG 147 Ca 0.00 0.45 -0.43 0.00 -0.77 0.00 0.00 57.85 57.10 3dll n ARG 147 Cb 0.00 -1.18 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 3dll n ARG 147 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3dll s LEU 148 N -3.20 4.12 -0.31 0.55 2.96 -0.92 -1.83 118.68 120.04 3dll s LEU 148 Ca -0.00 1.32 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 3dll s LEU 148 Cb 0.02 -3.46 0.10 0.00 0.50 0.00 0.00 46.19 43.35 3dll s LEU 148 CO 0.05 -0.59 0.07 -0.54 -1.32 0.00 0.00 176.35 174.01 3dll s LYS 149 N 2.91 1.04 -0.04 1.98 -0.14 0.05 -4.98 119.74 120.56 3dll s LYS 149 Ca 0.42 -1.32 -0.12 0.00 -1.36 0.00 0.00 55.97 53.60 3dll s LYS 149 Cb -0.16 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.49 3dll s LYS 149 CO 0.08 -0.93 0.31 0.08 -0.76 0.00 0.00 175.35 174.13 3dll s VAL 150 N 1.36 5.20 -0.13 3.17 1.01 -1.26 -1.27 120.40 128.49 3dll s VAL 150 Ca 0.09 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 3dll s VAL 150 Cb -0.18 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3dll s VAL 150 CO -0.17 0.58 0.01 -0.31 0.00 0.00 0.00 175.10 175.20 3dll s TYR 151 N -1.08 0.91 0.34 5.22 1.51 0.32 -4.89 117.35 119.68 3dll s TYR 151 Ca 0.21 -0.53 0.14 0.00 -1.01 0.00 0.00 57.07 55.88 3dll s TYR 151 Cb -0.15 -0.95 1.03 0.00 -0.11 0.00 0.00 41.96 41.79 3dll s TYR 151 CO 0.10 -0.47 1.69 0.00 -1.11 0.00 0.00 175.55 175.76 3dll h ALA 152 N 8.28 1.94 -3.00 3.71 0.00 -1.82 0.98 119.26 129.34 3dll h ALA 152 Ca -0.19 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dll h ALA 152 Cb 1.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3dll h ALA 152 CO 0.31 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.47 3dll n GLY 153 N -1.31 -0.95 0.34 0.00 0.00 -1.25 -2.92 105.19 99.10 3dll n GLY 153 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3dll n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dll n GLU 154 N 0.00 0.00 -0.02 1.61 4.71 -1.26 -2.07 120.64 123.61 3dll n GLU 154 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 3dll n GLU 154 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 3dll n GLU 154 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 3dll n THR 155 N -2.97 0.71 0.00 2.62 5.66 -1.26 -4.48 114.28 114.56 3dll n THR 155 Ca 0.00 0.29 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 3dll n THR 155 Cb 0.00 -1.73 0.00 0.00 -1.55 0.00 0.00 70.33 67.05 3dll n THR 155 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3dll n HIS 156 N -3.33 0.00 0.22 1.09 8.25 -1.26 0.29 115.22 120.48 3dll n HIS 156 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3dll n HIS 156 Cb 0.18 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 30.88 3dll n HIS 156 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dll n PRO 157 N -3.28 0.02 0.00 -0.41 -0.02 -1.26 -2.83 135.00 127.22 3dll n PRO 157 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3dll n PRO 157 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 3dll n PRO 157 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3dll n HIS 158 N -1.98 0.00 -0.06 6.00 8.25 0.86 -2.76 115.22 125.53 3dll n HIS 158 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3dll n HIS 158 Cb 0.82 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.83 3dll n HIS 158 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3dll h SER 159 N 1.85 0.00 0.00 0.41 0.02 -1.78 -3.23 113.55 110.82 3dll h SER 159 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dll h SER 159 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3dll h SER 159 CO 0.00 0.65 0.00 0.00 -1.14 0.00 0.00 176.83 176.34 3dll n ALA 160 N -3.38 2.05 -3.51 3.77 0.00 -1.11 -4.48 120.51 113.85 3dll n ALA 160 Ca -0.05 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 3dll n ALA 160 Cb 0.20 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 3dll n ALA 160 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dll s GLN 161 N -2.00 2.97 0.00 0.00 -0.21 -1.22 -4.73 119.66 114.48 3dll s GLN 161 Ca 0.05 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.53 3dll s GLN 161 Cb 0.02 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.91 3dll s GLN 161 CO 0.04 -0.40 0.00 1.63 -2.12 0.00 0.00 175.29 174.44 3dll n LYS 162 N 4.75 0.00 0.00 2.91 5.02 -1.26 -4.77 118.16 124.81 3dll n LYS 162 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 3dll n LYS 162 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3dll n LYS 162 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3dll n PRO 163 N -1.98 1.28 -0.47 1.97 -0.04 -1.26 -4.86 135.00 129.65 3dll n PRO 163 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 3dll n PRO 163 Cb 0.00 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 33.71 3dll n PRO 163 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3dll n GLN 164 N -0.08 -2.82 -2.66 0.54 1.13 -1.26 -4.96 117.38 107.26 3dll n GLN 164 Ca 0.00 -0.81 -0.03 0.00 -1.94 0.00 0.00 57.00 54.22 3dll n GLN 164 Cb 0.00 -1.98 0.10 0.00 0.11 0.00 0.00 30.24 28.47 3dll n GLN 164 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3dll n VAL 165 N -5.04 0.00 -0.79 5.09 0.24 -1.25 -4.70 118.33 111.87 3dll n VAL 165 Ca 0.04 -0.64 -0.31 0.00 -2.04 0.00 0.00 64.34 61.39 3dll n VAL 165 Cb 0.56 1.07 0.16 0.00 -1.47 0.00 0.00 33.84 34.16 3dll n VAL 165 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dll s LEU 166 N -0.87 2.77 0.15 1.34 1.43 -1.22 -4.40 118.68 117.88 3dll s LEU 166 Ca 0.22 2.09 0.06 0.00 -1.03 0.00 0.00 54.13 55.47 3dll s LEU 166 Cb 0.27 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 3dll s LEU 166 CO -0.17 -2.98 0.00 -0.75 0.23 0.00 0.00 176.35 172.69 3dll s LYS 167 N -4.69 2.45 -0.42 1.70 2.47 -1.26 -0.30 119.74 119.70 3dll s LYS 167 Ca 0.66 -1.01 0.05 0.00 -1.56 0.00 0.00 55.97 54.10 3dll s LYS 167 Cb -0.22 -2.42 0.29 0.00 -1.46 0.00 0.00 37.83 34.02 3dll s LYS 167 CO 0.58 0.48 1.13 0.25 0.16 0.00 0.00 175.35 177.95 3dll n THR 168 N 0.11 0.00 -0.88 3.43 -2.24 -1.24 -4.98 114.28 108.48 3dll n THR 168 Ca -0.10 -1.22 -0.36 0.00 -2.27 0.00 0.00 64.05 60.10 3dll n THR 168 Cb 0.54 1.36 0.08 0.00 -2.10 0.00 0.00 70.33 70.21 3dll n THR 168 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dll n GLN 169 N 0.88 -0.58 0.00 -0.78 -0.00 -1.26 -4.87 117.38 110.77 3dll n GLN 169 Ca 0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 57.00 56.88 3dll n GLN 169 Cb 0.69 -1.23 0.00 0.00 -0.00 0.00 0.00 30.24 29.70 3dll n GLN 169 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 3dll n PRO 170 N 0.92 0.00 0.00 2.61 -0.02 -1.26 -5.07 135.00 132.17 3dll n PRO 170 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3dll n PRO 170 Cb 0.70 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.18 3dll n PRO 170 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76