#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b77 s LYS 2 N 0.00 1.41 -0.19 2.12 1.02 -1.26 0.03 119.74 122.87 1b77 s LYS 2 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.17 1b77 s LYS 2 Cb 0.00 -1.45 0.02 0.00 -0.52 0.00 0.00 37.83 35.87 1b77 s LYS 2 CO 0.00 0.38 -0.16 -0.51 -0.92 0.00 0.00 175.35 174.14 1b77 s LEU 3 N -0.89 2.39 0.93 3.17 1.43 -1.26 -4.71 118.68 119.75 1b77 s LEU 3 Ca 0.07 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1b77 s LEU 3 Cb -0.08 -1.54 0.15 0.00 0.03 0.00 0.00 46.19 44.75 1b77 s LEU 3 CO 0.01 -0.02 1.11 -0.94 0.23 0.00 0.00 176.35 176.74 1b77 s SER 4 N 1.31 3.24 0.32 2.29 1.04 -1.26 -4.80 113.70 115.84 1b77 s SER 4 Ca 0.04 1.11 0.03 0.00 0.48 0.00 0.00 55.95 57.61 1b77 s SER 4 Cb -0.14 -1.74 0.61 0.00 0.10 0.00 0.00 66.02 64.85 1b77 s SER 4 CO -0.10 -2.74 1.90 0.11 0.98 0.00 0.00 173.24 173.39 1b77 h LYS 5 N -1.62 0.90 -0.22 4.02 1.57 -1.99 -1.57 116.57 117.66 1b77 h LYS 5 Ca -0.52 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.10 1b77 h LYS 5 Cb 1.32 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1b77 h LYS 5 CO 0.60 0.60 -0.28 -0.44 -0.57 0.00 0.00 179.45 179.35 1b77 h ASP 6 N 0.93 0.62 -0.33 0.86 3.32 -1.99 -1.09 116.42 118.73 1b77 h ASP 6 Ca 0.40 -0.50 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1b77 h ASP 6 Cb 0.34 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1b77 h ASP 6 CO -0.17 1.00 0.19 0.74 -1.72 0.00 0.00 179.24 179.28 1b77 h THR 7 N 0.25 1.13 -0.85 0.35 2.02 -1.88 -1.44 112.91 112.49 1b77 h THR 7 Ca 0.03 -0.33 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1b77 h THR 7 Cb 0.85 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1b77 h THR 7 CO 0.07 0.13 0.56 0.40 0.37 0.00 0.00 175.52 177.05 1b77 h ILE 8 N 0.41 1.17 -0.34 3.11 2.04 -1.25 0.62 117.51 123.27 1b77 h ILE 8 Ca 0.12 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1b77 h ILE 8 Cb 0.05 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.09 1b77 h ILE 8 CO -0.02 0.20 0.17 0.00 0.00 0.00 0.00 178.15 178.50 1b77 h ALA 9 N 1.49 0.44 -0.45 1.87 0.00 -0.67 -0.45 119.26 121.49 1b77 h ALA 9 Ca 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1b77 h ALA 9 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1b77 h ALA 9 CO -0.09 -0.01 0.13 0.82 0.00 0.00 0.00 179.25 180.10 1b77 h ILE 10 N 0.42 1.23 -0.31 0.00 2.04 -0.65 -2.26 117.51 117.98 1b77 h ILE 10 Ca 0.12 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1b77 h ILE 10 Cb 0.10 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1b77 h ILE 10 CO -0.02 0.27 0.18 -0.07 0.00 0.00 0.00 178.15 178.51 1b77 h LEU 11 N 0.58 0.36 -0.70 1.44 3.38 -0.61 -0.57 115.31 119.20 1b77 h LEU 11 Ca 0.14 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1b77 h LEU 11 Cb 0.28 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1b77 h LEU 11 CO -0.00 0.29 0.05 0.50 0.09 0.00 0.00 178.44 179.37 1b77 h LYS 12 N 0.42 1.05 -0.19 1.13 3.64 -0.59 0.15 116.57 122.18 1b77 h LYS 12 Ca 0.11 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1b77 h LYS 12 Cb -0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1b77 h LYS 12 CO -0.02 1.00 0.07 -0.97 -2.27 0.00 0.00 179.45 177.26 1b77 h ASN 13 N 0.98 0.27 -0.78 4.20 -0.73 -0.65 -2.66 115.58 116.21 1b77 h ASN 13 Ca 0.18 -0.18 0.04 0.00 1.87 0.00 0.00 56.30 58.21 1b77 h ASN 13 Cb 0.49 -0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.97 1b77 h ASN 13 CO 0.02 0.38 0.51 -0.26 -0.37 0.00 0.00 177.43 177.71 1b77 h PHE 14 N 0.15 0.91 -0.07 0.67 -1.00 -0.75 -1.15 116.94 115.70 1b77 h PHE 14 Ca 0.06 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 1b77 h PHE 14 Cb 0.19 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1b77 h PHE 14 CO -0.01 0.53 -0.09 0.00 -1.61 0.00 0.00 178.31 177.13 1b77 h ALA 15 N 1.55 1.72 0.00 2.45 0.00 -0.39 -1.55 119.26 123.05 1b77 h ALA 15 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1b77 h ALA 15 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1b77 h ALA 15 CO -0.09 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.02 1b77 h SER 16 N 0.10 0.00 0.29 0.00 4.64 -0.91 -3.17 113.55 114.50 1b77 h SER 16 Ca 0.02 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.01 1b77 h SER 16 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1b77 h SER 16 CO 0.01 0.00 -1.70 0.40 -0.87 0.00 0.00 176.83 174.67 1b77 h ILE 17 N 0.00 0.97 -2.78 0.95 2.04 -1.22 -3.46 117.51 114.01 1b77 h ILE 17 Ca 0.00 -2.60 -0.17 0.00 1.00 0.00 0.00 64.86 63.09 1b77 h ILE 17 Cb 0.73 2.72 -0.30 0.00 -0.74 0.00 0.00 36.82 39.22 1b77 h ILE 17 CO 0.00 0.83 -0.46 0.21 0.00 0.00 0.00 178.15 178.73 1b77 s ASN 18 N -7.10 0.03 0.66 1.72 3.84 -0.78 -4.28 114.94 109.03 1b77 s ASN 18 Ca -0.14 0.71 0.41 0.00 0.21 0.00 0.00 52.86 54.05 1b77 s ASN 18 Cb 0.06 0.81 2.24 0.00 -0.55 0.00 0.00 41.25 43.82 1b77 s ASN 18 CO 0.84 -0.22 2.28 0.77 -2.79 0.00 0.00 177.10 177.98 1b77 h SER 19 N 7.98 0.00 -1.69 -4.21 4.64 -1.83 -3.37 113.55 115.08 1b77 h SER 19 Ca -0.21 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.50 1b77 h SER 19 Cb 1.13 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.10 1b77 h SER 19 CO 0.18 0.00 -0.59 -0.83 -0.87 0.00 0.00 176.83 174.73 1b77 s GLY 20 N -4.07 2.42 0.00 -0.77 0.00 -1.25 -1.42 107.32 102.23 1b77 s GLY 20 Ca -0.05 -2.23 -0.28 0.00 0.00 0.00 0.00 44.72 42.16 1b77 s GLY 20 CO 0.39 -2.04 0.75 -1.50 0.00 0.00 0.00 173.10 170.70 1b77 s ILE 21 N -2.67 0.00 -0.20 0.90 2.07 -0.81 -4.91 121.20 115.59 1b77 s ILE 21 Ca 0.36 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.58 1b77 s ILE 21 Cb 0.07 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1b77 s ILE 21 CO 0.19 0.00 -0.08 -0.22 -1.91 0.00 0.00 174.94 172.92 1b77 s LEU 22 N -1.91 2.78 -0.16 8.50 0.20 -1.26 -1.02 118.68 125.81 1b77 s LEU 22 Ca -0.03 -0.40 -0.07 0.00 0.69 0.00 0.00 54.13 54.33 1b77 s LEU 22 Cb -0.01 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1b77 s LEU 22 CO -0.02 0.03 0.08 -0.76 -0.29 0.00 0.00 176.35 175.38 1b77 s LEU 23 N 1.19 3.93 0.11 -0.68 1.43 0.20 -4.80 118.68 120.06 1b77 s LEU 23 Ca 0.02 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1b77 s LEU 23 Cb -0.14 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1b77 s LEU 23 CO -0.02 0.24 -0.19 -0.94 0.23 0.00 0.00 176.35 175.66 1b77 s SER 24 N -0.01 2.39 0.15 2.29 1.04 -1.26 -1.34 113.70 116.96 1b77 s SER 24 Ca 0.07 -0.70 -0.34 0.00 0.48 0.00 0.00 55.95 55.46 1b77 s SER 24 Cb -0.12 -0.12 -0.16 0.00 0.10 0.00 0.00 66.02 65.72 1b77 s SER 24 CO 0.01 0.01 1.24 0.00 0.98 0.00 0.00 173.24 175.48 1b77 n GLN 25 N 0.99 1.24 0.00 4.02 6.02 -1.26 -4.77 117.38 123.62 1b77 n GLN 25 Ca -0.19 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1b77 n GLN 25 Cb 0.54 -2.00 0.00 0.00 1.02 0.00 0.00 30.24 29.80 1b77 n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b77 n GLY 26 N 2.21 0.90 2.28 1.08 0.00 -0.94 -4.88 105.19 105.85 1b77 n GLY 26 Ca 0.16 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.02 1b77 n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b77 n LYS 27 N 0.00 3.18 -3.83 1.61 5.02 -1.26 -0.84 118.16 122.04 1b77 n LYS 27 Ca 0.00 -4.12 -0.13 0.00 -2.02 0.00 0.00 58.31 52.04 1b77 n LYS 27 Cb 0.00 -2.12 -0.14 0.00 -0.02 0.00 0.00 35.03 32.75 1b77 n LYS 27 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1b77 s PHE 28 N -3.58 -0.05 0.03 2.13 5.36 -1.26 -1.00 117.98 119.61 1b77 s PHE 28 Ca 0.46 0.18 0.02 0.00 -0.96 0.00 0.00 56.93 56.63 1b77 s PHE 28 Cb 0.40 -0.04 -0.02 0.00 -0.34 0.00 0.00 43.02 43.02 1b77 s PHE 28 CO -0.03 -0.05 -0.08 0.96 -1.46 0.00 0.00 175.22 174.56 1b77 s ILE 29 N 0.35 0.57 0.10 3.12 -4.36 -0.38 -4.72 121.20 115.88 1b77 s ILE 29 Ca -0.03 -0.90 -0.19 0.00 -0.26 0.00 0.00 60.65 59.27 1b77 s ILE 29 Cb -0.04 -0.60 0.05 0.00 1.25 0.00 0.00 42.46 43.12 1b77 s ILE 29 CO -0.01 -0.24 0.47 0.00 0.24 0.00 0.00 174.94 175.40 1b77 s MET 30 N -1.24 1.08 0.32 0.37 0.23 -1.26 -0.84 119.30 117.96 1b77 s MET 30 Ca -0.06 -0.50 -0.14 0.00 -1.03 0.00 0.00 55.69 53.96 1b77 s MET 30 Cb -0.08 0.49 0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1b77 s MET 30 CO 0.00 -0.42 0.63 -0.08 -2.03 0.00 0.00 175.02 173.12 1b77 s THR 31 N -3.29 0.00 -0.07 3.16 -1.32 0.02 -4.74 115.64 109.40 1b77 s THR 31 Ca -0.01 -1.22 -0.23 0.00 -1.21 0.00 0.00 61.69 59.02 1b77 s THR 31 Cb 0.00 -2.46 0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1b77 s THR 31 CO -0.08 0.00 0.53 -0.60 -2.21 0.00 0.00 174.62 172.25 1b77 s ARG 32 N -3.26 0.84 0.67 7.08 3.52 -1.26 -2.12 118.95 124.42 1b77 s ARG 32 Ca 0.19 0.22 -0.17 0.00 -0.13 0.00 0.00 55.73 55.84 1b77 s ARG 32 Cb -0.03 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 1b77 s ARG 32 CO 0.12 -0.23 1.22 0.00 -0.81 0.00 0.00 175.30 175.60 1b77 s ALA 33 N -0.92 2.31 0.32 6.12 0.00 0.17 -4.63 121.76 125.13 1b77 s ALA 33 Ca -0.10 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1b77 s ALA 33 Cb -0.03 -3.48 0.54 0.00 0.00 0.00 0.00 23.12 20.16 1b77 s ALA 33 CO 0.06 -1.58 1.94 0.28 0.00 0.00 0.00 175.76 176.46 1b77 h VAL 34 N 0.25 1.19 -0.18 0.00 2.07 -1.92 -0.62 116.25 117.04 1b77 h VAL 34 Ca -0.49 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1b77 h VAL 34 Cb 1.30 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1b77 h VAL 34 CO 0.52 0.21 0.00 -0.46 0.02 0.00 0.00 177.57 177.87 1b77 n ASN 35 N -4.38 1.22 0.00 0.57 0.23 -1.26 -4.91 115.26 106.73 1b77 n ASN 35 Ca 0.06 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.29 1b77 n ASN 35 Cb 0.11 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1b77 n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1b77 n GLY 36 N 0.95 0.24 0.26 4.83 0.00 -0.24 -4.92 105.19 106.30 1b77 n GLY 36 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1b77 n GLY 36 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1b77 h THR 37 N 0.00 1.27 -3.64 2.61 1.35 -1.91 -3.45 112.91 109.14 1b77 h THR 37 Ca 0.00 -1.65 -0.59 0.00 -0.55 0.00 0.00 66.41 63.61 1b77 h THR 37 Cb 0.52 1.51 -0.32 0.00 -1.73 0.00 0.00 68.15 68.13 1b77 h THR 37 CO 0.00 0.55 -0.85 -0.89 -0.25 0.00 0.00 175.52 174.08 1b77 s THR 38 N -4.26 1.59 0.03 6.82 2.01 -1.26 -0.99 115.64 119.58 1b77 s THR 38 Ca -0.11 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.21 1b77 s THR 38 Cb 0.11 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1b77 s THR 38 CO 0.89 0.45 -0.26 -0.47 -0.69 0.00 0.00 174.62 174.55 1b77 s TYR 39 N 0.26 2.25 -0.02 4.92 5.04 -0.17 -0.66 117.35 128.97 1b77 s TYR 39 Ca -0.11 -0.41 -0.10 0.00 -2.44 0.00 0.00 57.07 54.02 1b77 s TYR 39 Cb -0.15 -1.37 0.01 0.00 0.35 0.00 0.00 41.96 40.81 1b77 s TYR 39 CO 0.05 0.09 0.21 0.00 -1.34 0.00 0.00 175.55 174.55 1b77 s ALA 40 N -0.76 -0.50 0.14 3.97 0.00 -0.90 -1.07 121.76 122.63 1b77 s ALA 40 Ca 0.11 0.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 1b77 s ALA 40 Cb -0.10 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1b77 s ALA 40 CO 0.01 -0.20 0.36 -1.83 0.00 0.00 0.00 175.76 174.11 1b77 s GLU 41 N -1.05 1.10 -0.15 0.00 -1.05 -0.90 -0.80 118.70 115.85 1b77 s GLU 41 Ca -0.11 -0.86 -0.30 0.00 -0.15 0.00 0.00 54.97 53.54 1b77 s GLU 41 Cb -0.06 0.44 0.12 0.00 -0.44 0.00 0.00 34.13 34.19 1b77 s GLU 41 CO 0.02 -0.42 0.96 0.00 0.95 0.00 0.00 175.26 176.77 1b77 s ALA 42 N -3.85 -1.91 -0.12 -0.84 0.00 -0.02 -2.04 121.76 112.96 1b77 s ALA 42 Ca 0.07 1.57 -0.12 0.00 0.00 0.00 0.00 51.96 53.47 1b77 s ALA 42 Cb 0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1b77 s ALA 42 CO -0.08 -0.31 0.27 -0.80 0.00 0.00 0.00 175.76 174.84 1b77 s ASN 43 N -1.07 6.48 0.30 0.00 -0.87 -1.26 -1.25 114.94 117.27 1b77 s ASN 43 Ca -0.03 0.57 0.11 0.00 -1.57 0.00 0.00 52.86 51.94 1b77 s ASN 43 Cb -0.01 -2.16 -0.05 0.00 -0.02 0.00 0.00 41.25 39.01 1b77 s ASN 43 CO 0.02 0.22 -0.16 0.27 -2.57 0.00 0.00 177.10 174.88 1b77 s ILE 44 N -0.18 2.42 -0.69 0.60 -4.36 -0.17 -4.98 121.20 113.84 1b77 s ILE 44 Ca 0.17 -2.33 0.25 0.00 -0.26 0.00 0.00 60.65 58.48 1b77 s ILE 44 Cb -0.13 -2.42 0.17 0.00 1.25 0.00 0.00 42.46 41.32 1b77 s ILE 44 CO 0.05 -0.33 1.55 -1.54 0.24 0.00 0.00 174.94 174.90 1b77 n SER 45 N -0.68 0.76 -4.83 4.36 3.41 -1.26 -4.72 113.62 110.65 1b77 n SER 45 Ca -0.05 0.34 -0.38 0.00 -0.26 0.00 0.00 58.87 58.52 1b77 n SER 45 Cb 0.61 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 1b77 n SER 45 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b77 s ASP 46 N -4.37 6.89 -0.21 4.04 1.01 -1.26 -5.06 116.67 117.71 1b77 s ASP 46 Ca 0.08 1.06 -0.19 0.00 0.71 0.00 0.00 52.55 54.22 1b77 s ASP 46 Cb 0.13 -2.29 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1b77 s ASP 46 CO 0.66 0.30 0.55 -0.70 0.21 0.00 0.00 175.17 176.18 1b77 s GLU 47 N -1.13 4.18 -0.22 8.23 2.12 -1.26 -4.51 118.70 126.10 1b77 s GLU 47 Ca 0.26 0.45 -0.24 0.00 0.36 0.00 0.00 54.97 55.80 1b77 s GLU 47 Cb -0.18 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 1b77 s GLU 47 CO 0.16 -0.20 0.80 0.42 -0.54 0.00 0.00 175.26 175.89 1b77 s ILE 48 N 1.81 4.87 -0.61 -3.70 1.01 -0.02 -4.68 121.20 119.89 1b77 s ILE 48 Ca 0.25 1.52 0.25 0.00 0.00 0.00 0.00 60.65 62.66 1b77 s ILE 48 Cb -0.16 -4.09 0.17 0.00 0.01 0.00 0.00 42.46 38.39 1b77 s ILE 48 CO 0.10 -0.03 1.50 0.44 0.00 0.00 0.00 174.94 176.95 1b77 h ASP 49 N 7.61 0.00 -5.05 3.58 3.32 -1.91 -2.49 116.42 121.48 1b77 h ASP 49 Ca -0.25 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 1b77 h ASP 49 Cb 1.11 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 1b77 h ASP 49 CO 0.85 0.04 -0.02 0.72 -1.72 0.00 0.00 179.24 179.11 1b77 s PHE 50 N -3.17 -0.30 0.08 4.55 -0.71 -1.26 -4.89 117.98 112.29 1b77 s PHE 50 Ca 0.07 0.09 -0.28 0.00 -1.04 0.00 0.00 56.93 55.78 1b77 s PHE 50 Cb 0.12 0.31 -0.06 0.00 -1.21 0.00 0.00 43.02 42.18 1b77 s PHE 50 CO 0.67 -0.69 0.87 -0.51 -1.34 0.00 0.00 175.22 174.23 1b77 s ASP 51 N -2.54 7.36 -0.24 1.98 1.11 -1.26 -4.27 116.67 118.81 1b77 s ASP 51 Ca 0.00 1.63 -0.26 0.00 0.18 0.00 0.00 52.55 54.10 1b77 s ASP 51 Cb 0.01 -2.53 0.10 0.00 1.07 0.00 0.00 42.92 41.56 1b77 s ASP 51 CO -0.09 -0.04 0.86 0.54 1.18 0.00 0.00 175.17 177.63 1b77 s VAL 52 N 0.02 0.00 -0.12 -1.27 0.11 -0.45 -5.01 120.40 113.68 1b77 s VAL 52 Ca 0.43 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.44 1b77 s VAL 52 Cb -0.22 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 1b77 s VAL 52 CO 0.27 0.00 0.03 0.00 -3.33 0.00 0.00 175.10 172.07 1b77 s ALA 53 N 0.03 3.39 -0.17 1.54 0.00 -1.26 -0.63 121.76 124.66 1b77 s ALA 53 Ca -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 1b77 s ALA 53 Cb -0.04 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 1b77 s ALA 53 CO -0.01 0.49 -0.12 -0.51 0.00 0.00 0.00 175.76 175.60 1b77 s LEU 54 N -0.58 2.58 0.16 0.00 1.43 -0.19 -0.82 118.68 121.27 1b77 s LEU 54 Ca 0.10 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1b77 s LEU 54 Cb -0.12 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1b77 s LEU 54 CO 0.02 0.05 1.41 0.22 0.23 0.00 0.00 176.35 178.28 1b77 h TYR 55 N 7.56 0.71 -2.65 0.29 3.20 -1.85 -2.15 116.97 122.08 1b77 h TYR 55 Ca -0.36 -0.31 -0.60 0.00 3.14 0.00 0.00 58.73 60.60 1b77 h TYR 55 Cb 1.18 -0.11 -0.40 0.00 1.54 0.00 0.00 36.73 38.93 1b77 h TYR 55 CO 0.52 1.08 -0.78 -3.47 -1.64 0.00 0.00 178.16 173.87 1b77 n ASP 56 N -3.88 1.34 -0.21 -2.11 2.03 -1.25 -3.86 116.55 108.61 1b77 n ASP 56 Ca -0.05 -2.82 0.01 0.00 0.52 0.00 0.00 54.79 52.45 1b77 n ASP 56 Cb 0.70 -0.65 0.12 0.00 -0.72 0.00 0.00 41.12 40.57 1b77 n ASP 56 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1b77 h LEU 57 N 5.35 0.20 -0.10 -2.67 5.85 -1.42 -2.32 115.31 120.20 1b77 h LEU 57 Ca 0.20 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1b77 h LEU 57 Cb 0.82 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1b77 h LEU 57 CO 0.56 0.11 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.57 1b77 h ASN 58 N 0.39 -0.23 -0.52 1.25 -1.24 -1.89 0.04 115.58 113.38 1b77 h ASN 58 Ca 0.33 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 57.33 1b77 h ASN 58 Cb 0.43 0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 1b77 h ASN 58 CO -0.34 -0.10 0.12 0.77 -1.29 0.00 0.00 177.43 176.60 1b77 h SER 59 N -0.08 0.84 -0.32 1.15 4.64 -1.91 -1.74 113.55 116.12 1b77 h SER 59 Ca 0.06 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1b77 h SER 59 Cb 0.17 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1b77 h SER 59 CO -0.15 0.83 0.19 0.15 -0.87 0.00 0.00 176.83 176.98 1b77 h PHE 60 N 0.85 0.36 -0.49 4.77 3.57 -0.83 -2.12 116.94 123.04 1b77 h PHE 60 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1b77 h PHE 60 Cb 0.33 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1b77 h PHE 60 CO 0.02 0.22 0.28 -0.07 -2.23 0.00 0.00 178.31 176.52 1b77 h LEU 61 N 0.39 0.61 -1.51 0.59 3.38 -0.67 -2.30 115.31 115.80 1b77 h LEU 61 Ca 0.13 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1b77 h LEU 61 Cb -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1b77 h LEU 61 CO -0.05 0.52 0.36 0.77 0.09 0.00 0.00 178.44 180.12 1b77 h SER 62 N 0.65 0.55 -0.40 -0.43 4.64 -1.10 -0.57 113.55 116.89 1b77 h SER 62 Ca 0.17 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1b77 h SER 62 Cb 0.04 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1b77 h SER 62 CO -0.03 0.38 0.01 0.40 -0.87 0.00 0.00 176.83 176.72 1b77 h ILE 63 N 0.64 1.24 0.00 0.95 1.08 -0.85 -2.59 117.51 117.99 1b77 h ILE 63 Ca 0.21 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.68 1b77 h ILE 63 Cb 0.07 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1b77 h ILE 63 CO -0.06 0.35 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.60 1b77 h LEU 64 N 0.73 0.00 0.00 1.44 3.38 -0.67 -1.51 115.31 118.69 1b77 h LEU 64 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1b77 h LEU 64 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1b77 h LEU 64 CO 0.02 0.08 0.00 -0.24 0.09 0.00 0.00 178.44 178.39 1b77 n SER 65 N -3.99 0.00 -0.20 -0.43 2.88 -0.97 -2.82 113.62 108.09 1b77 n SER 65 Ca -0.03 0.31 0.09 0.00 -1.33 0.00 0.00 58.87 57.92 1b77 n SER 65 Cb 0.17 -0.41 -0.06 0.00 -0.75 0.00 0.00 64.21 63.16 1b77 n SER 65 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1b77 n LEU 66 N -1.41 1.29 -4.95 2.46 4.77 -0.57 -4.98 117.00 113.61 1b77 n LEU 66 Ca 0.06 -0.62 -0.23 0.00 -0.03 0.00 0.00 56.01 55.18 1b77 n LEU 66 Cb 0.17 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1b77 n LEU 66 CO 0.14 0.27 0.40 0.68 -1.33 0.00 0.00 177.39 177.55 1b77 s VAL 67 N -2.44 3.23 0.81 4.08 -7.23 -1.13 -5.10 120.40 112.62 1b77 s VAL 67 Ca 0.11 -0.45 -0.10 0.00 -1.81 0.00 0.00 61.98 59.73 1b77 s VAL 67 Cb 0.14 -3.24 0.12 0.00 0.56 0.00 0.00 36.38 33.96 1b77 s VAL 67 CO 0.62 -0.19 1.15 -0.94 -0.31 0.00 0.00 175.10 175.42 1b77 s SER 68 N -4.35 4.16 0.54 4.85 1.04 -1.26 -4.94 113.70 113.73 1b77 s SER 68 Ca 0.54 0.37 0.32 0.00 0.48 0.00 0.00 55.95 57.66 1b77 s SER 68 Cb -0.10 -0.76 1.37 0.00 0.10 0.00 0.00 66.02 66.63 1b77 s SER 68 CO 0.40 -2.06 1.99 0.44 0.98 0.00 0.00 173.24 175.00 1b77 h ASP 69 N -1.02 0.00 0.82 7.02 3.32 -1.99 -2.15 116.42 122.42 1b77 h ASP 69 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1b77 h ASP 69 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1b77 h ASP 69 CO 0.52 0.04 -0.32 0.47 -1.72 0.00 0.00 179.24 178.23 1b77 n ASP 70 N -3.17 0.41 -4.74 6.45 8.00 -1.26 -4.91 116.55 117.33 1b77 n ASP 70 Ca 0.00 0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.26 1b77 n ASP 70 Cb 0.31 -0.10 0.06 0.00 -0.02 0.00 0.00 41.12 41.37 1b77 n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b77 s ALA 71 N -3.04 2.43 -0.03 2.24 0.00 -0.81 -4.57 121.76 117.97 1b77 s ALA 71 Ca 0.11 1.18 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 1b77 s ALA 71 Cb 0.17 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1b77 s ALA 71 CO 0.64 -1.50 0.02 -2.00 0.00 0.00 0.00 175.76 172.93 1b77 s GLU 72 N -3.35 0.15 -0.09 0.00 2.56 0.08 -4.88 118.70 113.17 1b77 s GLU 72 Ca 0.81 0.18 -0.25 0.00 0.00 0.00 0.00 54.97 55.71 1b77 s GLU 72 Cb -0.36 -0.48 -0.03 0.00 2.00 0.00 0.00 34.13 35.26 1b77 s GLU 72 CO 0.39 -0.21 0.80 0.42 -0.56 0.00 0.00 175.26 176.10 1b77 s ILE 73 N 1.42 4.95 0.18 -3.70 1.01 0.10 -2.07 121.20 123.10 1b77 s ILE 73 Ca -0.04 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.13 1b77 s ILE 73 Cb -0.13 -4.13 -0.00 0.00 0.01 0.00 0.00 42.46 38.21 1b77 s ILE 73 CO -0.03 0.15 0.36 -0.94 0.00 0.00 0.00 174.94 174.48 1b77 s SER 74 N 0.97 -0.04 -0.19 3.58 1.04 0.60 -0.51 113.70 119.15 1b77 s SER 74 Ca 0.41 -0.81 -0.29 0.00 0.48 0.00 0.00 55.95 55.74 1b77 s SER 74 Cb -0.18 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 1b77 s SER 74 CO 0.18 -0.96 1.12 -0.32 0.98 0.00 0.00 173.24 174.24 1b77 s MET 75 N -3.96 4.27 0.41 4.02 1.75 -1.26 -0.70 119.30 123.83 1b77 s MET 75 Ca 0.17 1.48 -0.12 0.00 -1.25 0.00 0.00 55.69 55.96 1b77 s MET 75 Cb 0.02 -3.67 -0.07 0.00 2.84 0.00 0.00 34.83 33.95 1b77 s MET 75 CO 0.01 -0.62 0.80 -1.58 -0.65 0.00 0.00 175.02 172.99 1b77 s HIS 76 N 3.14 3.45 0.60 4.11 2.46 -0.17 -4.88 115.29 123.99 1b77 s HIS 76 Ca 0.49 1.16 0.28 0.00 0.47 0.00 0.00 55.06 57.45 1b77 s HIS 76 Cb -0.18 -2.53 1.30 0.00 -0.13 0.00 0.00 32.58 31.04 1b77 s HIS 76 CO 0.11 -0.12 1.70 1.79 -2.47 0.00 0.00 174.74 175.74 1b77 h THR 77 N 1.22 0.22 -0.13 0.89 1.35 -1.96 0.33 112.91 114.83 1b77 h THR 77 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1b77 h THR 77 Cb 1.18 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1b77 h THR 77 CO 0.64 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 1b77 n ASP 78 N -3.51 1.24 0.00 5.36 5.75 -1.26 -4.89 116.55 119.24 1b77 n ASP 78 Ca 0.13 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 1b77 n ASP 78 Cb 0.95 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 1b77 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b77 n GLY 79 N 1.03 2.16 0.00 6.12 0.00 0.11 -5.03 105.19 109.57 1b77 n GLY 79 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1b77 n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b77 n ASN 80 N 0.00 0.00 -4.62 1.61 5.03 -1.25 -4.64 115.26 111.39 1b77 n ASN 80 Ca 0.00 -0.37 -0.29 0.00 0.87 0.00 0.00 54.58 54.79 1b77 n ASN 80 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1b77 n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1b77 s ILE 81 N 0.01 3.56 -0.02 2.41 1.01 0.12 -1.00 121.20 127.28 1b77 s ILE 81 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 59.40 1b77 s ILE 81 Cb 0.00 -2.70 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1b77 s ILE 81 CO 0.00 0.06 -0.04 -0.75 0.00 0.00 0.00 174.94 174.21 1b77 s LYS 82 N -2.40 0.50 -0.35 2.79 2.20 0.12 -0.59 119.74 122.00 1b77 s LYS 82 Ca 0.24 -0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.76 1b77 s LYS 82 Cb -0.11 -0.53 0.11 0.00 -1.51 0.00 0.00 37.83 35.78 1b77 s LYS 82 CO 0.16 0.01 0.10 0.42 -0.36 0.00 0.00 175.35 175.68 1b77 s ILE 83 N 0.38 1.72 0.08 5.43 1.01 0.11 -0.29 121.20 129.65 1b77 s ILE 83 Ca -0.04 -2.11 0.05 0.00 0.00 0.00 0.00 60.65 58.55 1b77 s ILE 83 Cb -0.08 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1b77 s ILE 83 CO -0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 174.94 174.13 1b77 s ALA 84 N 1.01 1.15 0.00 9.38 0.00 -0.88 -1.08 121.76 131.34 1b77 s ALA 84 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1b77 s ALA 84 Cb -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1b77 s ALA 84 CO -0.13 0.12 0.00 -0.40 0.00 0.00 0.00 175.76 175.35 1b77 n ASP 85 N 1.13 1.57 0.19 0.00 5.68 -0.50 -0.74 116.55 123.86 1b77 n ASP 85 Ca -0.20 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.12 1b77 n ASP 85 Cb 0.55 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.89 1b77 n ASP 85 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b77 h THR 86 N 0.00 1.18 0.00 2.12 1.03 -2.01 -3.37 112.91 111.87 1b77 h THR 86 Ca 0.00 -1.37 -0.25 0.00 -0.01 0.00 0.00 66.41 64.78 1b77 h THR 86 Cb 0.00 1.76 -0.05 0.00 -1.07 0.00 0.00 68.15 68.79 1b77 h THR 86 CO 0.00 0.38 -1.94 0.54 -0.01 0.00 0.00 175.52 174.49 1b77 n ARG 87 N -3.93 0.97 -4.35 0.00 1.74 -1.26 -5.08 116.66 104.75 1b77 n ARG 87 Ca -0.02 0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 56.94 1b77 n ARG 87 Cb 0.44 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 1b77 n ARG 87 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b77 s SER 88 N -5.25 1.87 -0.03 0.55 1.04 -1.26 -5.15 113.70 105.47 1b77 s SER 88 Ca -0.17 -1.27 -0.01 0.00 0.48 0.00 0.00 55.95 54.99 1b77 s SER 88 Cb 0.05 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.21 1b77 s SER 88 CO 0.45 -0.55 0.03 -0.89 0.98 0.00 0.00 173.24 173.26 1b77 s THR 89 N -3.43 0.03 -0.16 2.02 2.01 -1.26 -1.41 115.64 113.44 1b77 s THR 89 Ca 0.31 0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 1b77 s THR 89 Cb 0.06 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 1b77 s THR 89 CO 0.11 0.14 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.47 1b77 s VAL 90 N 1.43 4.02 0.02 3.82 1.01 -0.24 -4.95 120.40 125.51 1b77 s VAL 90 Ca -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1b77 s VAL 90 Cb -0.13 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1b77 s VAL 90 CO -0.03 0.49 0.06 -0.31 0.00 0.00 0.00 175.10 175.31 1b77 s TYR 91 N 0.35 3.20 -0.04 5.22 2.02 -1.26 0.10 117.35 126.93 1b77 s TYR 91 Ca -0.03 0.14 -0.05 0.00 -0.37 0.00 0.00 57.07 56.76 1b77 s TYR 91 Cb -0.14 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1b77 s TYR 91 CO 0.03 0.52 0.12 -0.46 -1.57 0.00 0.00 175.55 174.19 1b77 s TRP 92 N -1.22 -0.10 0.19 2.71 -0.11 0.24 -4.97 118.94 115.68 1b77 s TRP 92 Ca 0.24 0.25 -0.30 0.00 1.22 0.00 0.00 56.10 57.51 1b77 s TRP 92 Cb -0.12 0.03 -0.08 0.00 -1.50 0.00 0.00 33.47 31.80 1b77 s TRP 92 CO 0.15 -0.10 1.22 -1.25 -4.62 0.00 0.00 176.95 172.35 1b77 s PRO 93 N -0.17 4.47 -0.25 5.86 0.04 -1.26 0.12 135.00 143.81 1b77 s PRO 93 Ca -0.02 1.91 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 1b77 s PRO 93 Cb -0.02 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1b77 s PRO 93 CO 0.00 -0.11 0.46 0.00 0.04 0.00 0.00 177.00 177.39 1b77 s ALA 94 N -0.07 3.57 0.64 8.56 0.00 -1.26 -4.74 121.76 128.46 1b77 s ALA 94 Ca 0.53 -0.63 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1b77 s ALA 94 Cb -0.33 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 1b77 s ALA 94 CO 0.37 -0.61 1.04 0.00 0.00 0.00 0.00 175.76 176.56 1b77 s ALA 95 N 2.01 2.92 -0.01 0.00 0.00 0.00 -4.91 121.76 121.78 1b77 s ALA 95 Ca 0.19 0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1b77 s ALA 95 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1b77 s ALA 95 CO 0.09 -0.87 1.01 0.34 0.00 0.00 0.00 175.76 176.33 1b77 s ASP 96 N -3.89 7.32 0.49 0.00 -1.08 -1.26 -4.38 116.67 113.87 1b77 s ASP 96 Ca 0.57 1.69 0.32 0.00 -0.52 0.00 0.00 52.55 54.60 1b77 s ASP 96 Cb -0.12 -2.57 1.42 0.00 -1.46 0.00 0.00 42.92 40.19 1b77 s ASP 96 CO 0.52 -0.31 1.76 0.50 0.52 0.00 0.00 175.17 178.15 1b77 h LYS 97 N 6.85 0.12 0.00 4.34 3.64 -1.95 0.11 116.57 129.69 1b77 h LYS 97 Ca -0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1b77 h LYS 97 Cb 1.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1b77 h LYS 97 CO 0.77 0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 176.90 1b77 n SER 98 N -4.35 0.00 -0.63 4.20 3.41 -1.26 -3.07 113.62 111.92 1b77 n SER 98 Ca 0.28 -0.05 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1b77 n SER 98 Cb 1.22 -0.29 0.38 0.00 -0.26 0.00 0.00 64.21 65.26 1b77 n SER 98 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b77 n THR 99 N -1.29 0.15 -4.22 6.66 -2.24 0.39 -4.92 114.28 108.80 1b77 n THR 99 Ca 0.12 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1b77 n THR 99 Cb 0.20 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 68.91 1b77 n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1b77 s ILE 100 N -1.85 0.44 -0.11 2.28 -4.36 -1.17 -5.03 121.20 111.40 1b77 s ILE 100 Ca 0.34 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.77 1b77 s ILE 100 Cb 0.19 -2.21 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 1b77 s ILE 100 CO 0.30 -0.36 -0.10 -0.69 0.24 0.00 0.00 174.94 174.33 1b77 s VAL 101 N -3.82 3.40 0.01 8.37 1.01 -1.26 -5.01 120.40 123.09 1b77 s VAL 101 Ca 0.27 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1b77 s VAL 101 Cb 0.07 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1b77 s VAL 101 CO 0.06 0.54 0.38 0.72 0.00 0.00 0.00 175.10 176.80 1b77 s PHE 102 N -0.05 -0.25 0.13 5.22 -0.12 -1.26 -4.72 117.98 116.93 1b77 s PHE 102 Ca -0.01 0.31 -0.31 0.00 -0.05 0.00 0.00 56.93 56.87 1b77 s PHE 102 Cb -0.14 0.17 -0.07 0.00 -0.63 0.00 0.00 43.02 42.35 1b77 s PHE 102 CO 0.03 -0.49 1.29 -2.14 -0.05 0.00 0.00 175.22 173.86 1b77 s PRO 103 N -1.86 4.40 0.00 1.99 0.02 -1.26 -4.90 135.00 133.38 1b77 s PRO 103 Ca -0.09 1.95 0.27 0.00 0.02 0.00 0.00 61.00 63.15 1b77 s PRO 103 Cb -0.03 -3.26 0.91 0.00 0.02 0.00 0.00 34.50 32.15 1b77 s PRO 103 CO 0.02 -0.29 1.66 0.27 -0.33 0.00 0.00 177.00 178.33 1b77 n ASN 104 N 3.40 1.28 -3.57 2.53 0.23 -1.26 -4.87 115.26 113.00 1b77 n ASN 104 Ca 0.08 -1.21 -0.16 0.00 -0.53 0.00 0.00 54.58 52.76 1b77 n ASN 104 Cb 0.44 0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 38.14 1b77 n ASN 104 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1b77 s LYS 105 N -2.23 0.95 0.63 -3.83 2.20 -1.26 -5.15 119.74 111.04 1b77 s LYS 105 Ca 0.32 0.59 -0.16 0.00 -0.36 0.00 0.00 55.97 56.35 1b77 s LYS 105 Cb 0.20 0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 36.96 1b77 s LYS 105 CO 0.42 -0.22 1.12 -1.25 -0.36 0.00 0.00 175.35 175.06 1b77 s PRO 106 N -0.48 2.93 -0.06 4.03 0.04 -1.26 -5.00 135.00 135.19 1b77 s PRO 106 Ca -0.06 1.48 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 1b77 s PRO 106 Cb -0.02 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1b77 s PRO 106 CO 0.06 -1.17 0.56 0.42 0.04 0.00 0.00 177.00 176.91 1b77 s ILE 107 N -2.14 5.05 0.22 0.56 -1.09 -1.26 -5.08 121.20 117.46 1b77 s ILE 107 Ca 0.69 1.14 0.07 0.00 -2.23 0.00 0.00 60.65 60.32 1b77 s ILE 107 Cb -0.22 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1b77 s ILE 107 CO 0.37 0.36 0.13 -1.10 -1.23 0.00 0.00 174.94 173.48 1b77 s GLN 108 N 0.24 2.76 -0.51 2.79 -1.52 -1.26 -5.05 119.66 117.11 1b77 s GLN 108 Ca 0.30 -1.07 0.06 0.00 -1.95 0.00 0.00 55.36 52.69 1b77 s GLN 108 Cb -0.17 -2.50 0.22 0.00 -0.22 0.00 0.00 33.01 30.35 1b77 s GLN 108 CO 0.14 0.42 0.54 0.34 -0.25 0.00 0.00 175.29 176.48 1b77 n PHE 109 N -0.81 1.11 -0.32 0.91 7.35 -1.26 -4.98 117.46 119.45 1b77 n PHE 109 Ca -0.08 -3.78 0.05 0.00 -0.76 0.00 0.00 57.45 52.89 1b77 n PHE 109 Cb 0.57 -0.31 0.25 0.00 0.35 0.00 0.00 39.48 40.33 1b77 n PHE 109 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1b77 h PRO 110 N 4.60 0.97 -4.83 -7.13 0.11 -2.06 -3.45 132.00 120.23 1b77 h PRO 110 Ca 0.16 -0.06 -0.28 0.00 0.11 0.00 0.00 66.00 65.93 1b77 h PRO 110 Cb 0.81 -0.22 -0.15 0.00 0.11 0.00 0.00 31.00 31.55 1b77 h PRO 110 CO 0.58 0.64 -0.68 0.14 -0.21 0.00 0.00 178.00 178.47 1b77 s VAL 111 N -5.91 0.80 0.07 3.15 -7.23 -1.26 -5.17 120.40 104.85 1b77 s VAL 111 Ca -0.12 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.06 1b77 s VAL 111 Cb 0.21 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1b77 s VAL 111 CO 0.80 -0.63 -0.03 0.00 -0.31 0.00 0.00 175.10 174.94 1b77 s ALA 112 N -3.57 0.63 -0.21 1.32 0.00 -1.26 -4.81 121.76 113.86 1b77 s ALA 112 Ca 0.19 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1b77 s ALA 112 Cb 0.05 0.32 -0.12 0.00 0.00 0.00 0.00 23.12 23.38 1b77 s ALA 112 CO 0.01 -0.36 -0.21 0.43 0.00 0.00 0.00 175.76 175.63 1b77 n SER 113 N 0.06 2.13 -3.92 0.00 7.64 0.16 -4.94 113.62 114.75 1b77 n SER 113 Ca -0.13 0.02 -0.11 0.00 1.01 0.00 0.00 58.87 59.66 1b77 n SER 113 Cb 0.61 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 63.26 1b77 n SER 113 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1b77 s VAL 114 N -2.40 0.05 -0.03 0.44 1.01 -0.57 -5.01 120.40 113.89 1b77 s VAL 114 Ca -0.28 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1b77 s VAL 114 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.33 1b77 s VAL 114 CO 0.43 -0.22 -0.20 -0.63 0.00 0.00 0.00 175.10 174.49 1b77 s ILE 115 N -0.64 1.58 0.00 2.22 1.01 -1.26 -0.89 121.20 123.22 1b77 s ILE 115 Ca -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1b77 s ILE 115 Cb -0.04 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1b77 s ILE 115 CO -0.00 0.45 0.00 1.07 0.00 0.00 0.00 174.94 176.45 1b77 n THR 116 N 2.83 0.00 -3.49 2.92 5.66 0.26 -5.01 114.28 117.45 1b77 n THR 116 Ca -0.16 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.68 1b77 n THR 116 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.26 1b77 n THR 116 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1b77 s GLU 117 N 0.78 1.09 -0.07 1.09 -1.05 -1.26 -0.87 118.70 118.40 1b77 s GLU 117 Ca 0.00 -0.01 0.01 0.00 -0.15 0.00 0.00 54.97 54.82 1b77 s GLU 117 Cb 0.00 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.22 1b77 s GLU 117 CO 0.00 -0.40 -0.08 -1.50 0.95 0.00 0.00 175.26 174.24 1b77 s ILE 118 N -2.10 0.87 0.45 1.83 2.07 -0.64 -4.68 121.20 118.99 1b77 s ILE 118 Ca -0.06 -0.27 -0.21 0.00 -1.41 0.00 0.00 60.65 58.70 1b77 s ILE 118 Cb -0.00 -0.86 -0.09 0.00 0.13 0.00 0.00 42.46 41.63 1b77 s ILE 118 CO 0.01 0.32 1.01 -0.54 -1.91 0.00 0.00 174.94 173.83 1b77 s LYS 119 N 1.15 4.02 0.28 3.50 3.01 -1.26 -1.74 119.74 128.70 1b77 s LYS 119 Ca -0.06 1.31 -0.04 0.00 -1.01 0.00 0.00 55.97 56.17 1b77 s LYS 119 Cb -0.14 -2.22 0.57 0.00 -1.01 0.00 0.00 37.83 35.03 1b77 s LYS 119 CO -0.01 -0.24 1.60 0.00 0.51 0.00 0.00 175.35 177.21 1b77 h ALA 120 N 1.87 0.92 0.00 5.17 0.00 -1.92 0.11 119.26 125.41 1b77 h ALA 120 Ca -0.49 0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1b77 h ALA 120 Cb 1.21 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1b77 h ALA 120 CO 0.60 -0.48 -0.41 1.05 0.00 0.00 0.00 179.25 180.02 1b77 h GLU 121 N 0.05 0.00 0.04 0.00 9.09 -1.93 -1.46 114.58 120.38 1b77 h GLU 121 Ca 0.50 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.68 1b77 h GLU 121 Cb 0.93 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.02 1b77 h GLU 121 CO -0.82 0.41 -1.00 -0.44 0.05 0.00 0.00 179.01 177.21 1b77 h ASP 122 N 0.00 0.29 -0.42 3.06 3.32 -1.22 -2.02 116.42 119.43 1b77 h ASP 122 Ca -0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 1b77 h ASP 122 Cb 0.74 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1b77 h ASP 122 CO 0.05 1.13 -0.08 0.25 -1.72 0.00 0.00 179.24 178.87 1b77 h LEU 123 N 0.09 0.80 -0.41 1.55 5.85 -1.04 -1.53 115.31 120.62 1b77 h LEU 123 Ca -0.07 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1b77 h LEU 123 Cb 1.68 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 1b77 h LEU 123 CO 0.16 0.97 0.27 -0.61 -0.34 0.00 0.00 178.44 178.88 1b77 h GLN 124 N 0.63 0.53 -0.02 1.25 4.15 -1.22 -1.19 115.11 119.23 1b77 h GLN 124 Ca 0.11 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1b77 h GLN 124 Cb 0.60 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1b77 h GLN 124 CO 0.04 0.35 0.01 0.37 -1.93 0.00 0.00 178.83 177.66 1b77 h GLN 125 N 0.54 0.03 -0.52 1.69 4.15 -1.25 -1.57 115.11 118.18 1b77 h GLN 125 Ca 0.15 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.67 1b77 h GLN 125 Cb -0.05 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.55 1b77 h GLN 125 CO -0.04 0.16 0.05 1.25 -1.93 0.00 0.00 178.83 178.32 1b77 h LEU 126 N -0.12 -0.12 -0.51 -2.39 5.85 -1.06 0.29 115.31 117.24 1b77 h LEU 126 Ca 0.01 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1b77 h LEU 126 Cb 0.15 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1b77 h LEU 126 CO -0.00 -0.03 0.14 -0.07 -0.34 0.00 0.00 178.44 178.14 1b77 h LEU 127 N 0.17 0.77 -0.20 2.25 4.07 -1.11 -2.07 115.31 119.19 1b77 h LEU 127 Ca 0.26 -0.22 -0.21 0.00 0.08 0.00 0.00 57.88 57.79 1b77 h LEU 127 Cb 0.39 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 41.94 1b77 h LEU 127 CO -0.39 0.79 -0.73 0.03 -1.08 0.00 0.00 178.44 177.06 1b77 h ARG 128 N 0.71 0.80 -0.46 1.13 3.08 -0.65 -3.08 114.38 115.91 1b77 h ARG 128 Ca 0.16 -0.62 -0.14 0.00 0.07 0.00 0.00 59.98 59.46 1b77 h ARG 128 Cb 0.31 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1b77 h ARG 128 CO -0.00 1.23 -0.25 0.28 -1.07 0.00 0.00 179.97 180.15 1b77 h VAL 129 N 0.56 1.27 -0.39 2.04 2.07 -0.47 -2.93 116.25 118.40 1b77 h VAL 129 Ca -0.04 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1b77 h VAL 129 Cb 1.35 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1b77 h VAL 129 CO 0.15 0.49 0.19 0.28 0.02 0.00 0.00 177.57 178.70 1b77 h SER 130 N 0.84 0.47 -0.54 0.57 0.02 -1.44 0.13 113.55 113.61 1b77 h SER 130 Ca 0.10 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1b77 h SER 130 Cb 0.84 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1b77 h SER 130 CO 0.07 0.40 -0.10 -0.09 -1.14 0.00 0.00 176.83 175.97 1b77 h ARG 131 N 0.54 1.03 0.00 3.45 2.43 -1.42 0.18 114.38 120.59 1b77 h ARG 131 Ca 0.14 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1b77 h ARG 131 Cb 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1b77 h ARG 131 CO -0.02 1.07 -0.52 0.78 -1.51 0.00 0.00 179.97 179.77 1b77 h GLY 132 N 0.94 0.00 -2.09 2.80 0.00 -1.24 -3.29 103.07 100.18 1b77 h GLY 132 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1b77 h GLY 132 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.63 1b77 n LEU 133 N -2.53 3.48 -3.87 3.11 4.77 0.41 -4.95 117.00 117.41 1b77 n LEU 133 Ca 0.03 -1.92 -0.29 0.00 -0.03 0.00 0.00 56.01 53.80 1b77 n LEU 133 Cb 0.49 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1b77 n LEU 133 CO 0.36 0.85 0.11 0.00 -1.33 0.00 0.00 177.39 177.39 1b77 n GLN 134 N 1.20 -5.73 -2.75 3.23 6.02 -0.60 -4.86 117.38 113.89 1b77 n GLN 134 Ca 0.19 0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 57.38 1b77 n GLN 134 Cb 0.54 -5.51 -0.03 0.00 1.02 0.00 0.00 30.24 26.26 1b77 n GLN 134 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b77 s ILE 135 N -3.33 4.77 -0.55 5.09 1.01 0.52 -4.41 121.20 124.30 1b77 s ILE 135 Ca 0.61 1.87 0.05 0.00 0.00 0.00 0.00 60.65 63.19 1b77 s ILE 135 Cb -0.30 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 37.94 1b77 s ILE 135 CO 0.82 -0.08 0.55 -0.90 0.00 0.00 0.00 174.94 175.33 1b77 n ASP 136 N 5.74 1.13 -3.76 3.58 5.68 -0.19 -4.72 116.55 124.00 1b77 n ASP 136 Ca 0.09 -1.06 -0.13 0.00 -0.50 0.00 0.00 54.79 53.19 1b77 n ASP 136 Cb 0.47 0.25 -0.12 0.00 -1.14 0.00 0.00 41.12 40.59 1b77 n ASP 136 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1b77 s THR 137 N -0.69 -0.01 0.25 2.12 2.01 -1.01 -1.09 115.64 117.21 1b77 s THR 137 Ca 0.05 0.05 0.11 0.00 0.31 0.00 0.00 61.69 62.20 1b77 s THR 137 Cb 0.04 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 1b77 s THR 137 CO 0.10 0.02 -0.18 0.27 -0.69 0.00 0.00 174.62 174.14 1b77 s ILE 138 N 0.52 2.22 -0.03 1.82 -4.36 -0.70 -0.11 121.20 120.56 1b77 s ILE 138 Ca -0.03 -2.33 0.01 0.00 -0.26 0.00 0.00 60.65 58.03 1b77 s ILE 138 Cb -0.05 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1b77 s ILE 138 CO -0.03 -0.46 -0.01 0.00 0.24 0.00 0.00 174.94 174.68 1b77 s ALA 139 N -2.64 0.40 -0.33 2.27 0.00 0.10 -1.18 121.76 120.38 1b77 s ALA 139 Ca 0.27 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.23 1b77 s ALA 139 Cb -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1b77 s ALA 139 CO 0.12 -0.04 0.16 0.42 0.00 0.00 0.00 175.76 176.42 1b77 s ILE 140 N 0.92 4.50 0.17 0.00 1.01 0.47 -0.92 121.20 127.35 1b77 s ILE 140 Ca -0.10 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1b77 s ILE 140 Cb -0.13 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 1b77 s ILE 140 CO -0.01 -0.04 0.08 0.28 0.00 0.00 0.00 174.94 175.24 1b77 s THR 141 N 1.57 0.19 -0.02 2.92 -1.32 -0.54 -1.33 115.64 117.12 1b77 s THR 141 Ca 0.03 -1.96 -0.12 0.00 -1.21 0.00 0.00 61.69 58.44 1b77 s THR 141 Cb -0.18 -2.25 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 1b77 s THR 141 CO 0.06 -0.28 0.34 0.54 -2.21 0.00 0.00 174.62 173.07 1b77 s ASN 142 N -3.12 6.69 -0.25 8.08 2.20 -1.20 -1.23 114.94 126.10 1b77 s ASN 142 Ca 0.30 0.82 -0.11 0.00 -0.94 0.00 0.00 52.86 52.93 1b77 s ASN 142 Cb 0.07 -2.20 0.10 0.00 -2.00 0.00 0.00 41.25 37.22 1b77 s ASN 142 CO 0.06 0.33 0.58 -0.75 -2.94 0.00 0.00 177.10 174.38 1b77 s LYS 143 N -1.16 0.53 -1.26 3.55 2.20 0.10 -4.88 119.74 118.83 1b77 s LYS 143 Ca 0.23 1.21 -0.20 0.00 -0.36 0.00 0.00 55.97 56.85 1b77 s LYS 143 Cb -0.15 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.61 1b77 s LYS 143 CO 0.12 -0.19 0.60 -0.25 -0.36 0.00 0.00 175.35 175.27 1b77 n ASP 144 N 4.96 -3.30 -1.13 1.43 8.00 -1.26 -1.26 116.55 123.99 1b77 n ASP 144 Ca -0.15 -1.14 -0.15 0.00 0.71 0.00 0.00 54.79 54.06 1b77 n ASP 144 Cb 0.53 -2.53 -0.06 0.00 -0.02 0.00 0.00 41.12 39.03 1b77 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b77 n GLY 145 N -1.98 1.47 3.07 0.44 0.00 -1.26 -4.99 105.19 101.94 1b77 n GLY 145 Ca -0.16 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 1b77 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b77 s LYS 146 N -3.27 0.54 -0.26 1.61 1.02 -0.39 -0.05 119.74 118.94 1b77 s LYS 146 Ca 0.00 -0.99 -0.13 0.00 0.02 0.00 0.00 55.97 54.88 1b77 s LYS 146 Cb 0.00 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 1b77 s LYS 146 CO 0.00 -0.10 0.27 0.42 -0.92 0.00 0.00 175.35 175.01 1b77 s ILE 147 N -3.09 5.27 0.10 2.17 -1.09 -0.01 0.03 121.20 124.57 1b77 s ILE 147 Ca -0.01 0.37 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 1b77 s ILE 147 Cb 0.02 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1b77 s ILE 147 CO -0.07 0.24 -0.11 0.68 -1.23 0.00 0.00 174.94 174.46 1b77 s VAL 148 N 1.62 0.98 -0.15 2.92 -7.23 -0.36 -0.29 120.40 117.89 1b77 s VAL 148 Ca 0.11 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1b77 s VAL 148 Cb -0.15 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1b77 s VAL 148 CO 0.09 -0.54 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.66 1b77 s ILE 149 N -2.38 3.78 -0.11 -0.62 1.01 0.12 -1.46 121.20 121.55 1b77 s ILE 149 Ca 0.05 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1b77 s ILE 149 Cb -0.03 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1b77 s ILE 149 CO 0.00 0.50 -0.15 0.20 0.00 0.00 0.00 174.94 175.49 1b77 s ASN 150 N 0.37 3.91 -0.03 3.58 0.01 -0.09 0.18 114.94 122.85 1b77 s ASN 150 Ca -0.05 -0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 1b77 s ASN 150 Cb -0.14 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.08 1b77 s ASN 150 CO 0.03 0.21 0.08 -0.83 -1.51 0.00 0.00 177.10 175.08 1b77 s GLY 151 N 0.09 2.01 0.20 0.66 0.00 0.36 -0.72 107.32 109.92 1b77 s GLY 151 Ca -0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 1b77 s GLY 151 CO 0.05 -0.66 0.17 -0.19 0.00 0.00 0.00 173.10 172.46 1b77 s TYR 152 N -1.12 1.06 -0.47 1.90 1.51 0.84 -1.40 117.35 119.67 1b77 s TYR 152 Ca 0.20 -1.30 0.02 0.00 -1.01 0.00 0.00 57.07 54.98 1b77 s TYR 152 Cb -0.12 -0.47 0.12 0.00 -0.11 0.00 0.00 41.96 41.38 1b77 s TYR 152 CO 0.11 -0.68 0.22 1.21 -1.11 0.00 0.00 175.55 175.29 1b77 s ASN 153 N -3.14 4.71 0.59 2.29 3.84 -1.26 -1.02 114.94 120.94 1b77 s ASN 153 Ca 0.37 -2.61 0.29 0.00 0.21 0.00 0.00 52.86 51.12 1b77 s ASN 153 Cb 0.06 -1.69 1.76 0.00 -0.55 0.00 0.00 41.25 40.83 1b77 s ASN 153 CO 0.11 -0.34 2.21 0.50 -2.79 0.00 0.00 177.10 176.80 1b77 h LYS 154 N 7.11 0.00 -0.66 0.43 3.64 -1.88 -0.26 116.57 124.94 1b77 h LYS 154 Ca -0.06 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1b77 h LYS 154 Cb 0.96 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1b77 h LYS 154 CO 0.64 0.00 0.44 0.28 -2.27 0.00 0.00 179.45 178.54 1b77 h VAL 155 N 0.00 1.16 -0.03 2.00 2.07 -1.93 -2.86 116.25 116.66 1b77 h VAL 155 Ca 0.02 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1b77 h VAL 155 Cb 0.12 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1b77 h VAL 155 CO -0.00 0.16 0.00 -1.84 0.02 0.00 0.00 177.57 175.91 1b77 n GLU 156 N -4.44 2.91 -3.14 1.57 0.28 -0.90 -4.77 120.64 112.15 1b77 n GLU 156 Ca 0.07 -1.54 -0.22 0.00 -0.16 0.00 0.00 57.16 55.31 1b77 n GLU 156 Cb 0.04 -1.03 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 1b77 n GLU 156 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1b77 n ASP 157 N -0.39 -0.22 -0.27 -1.84 -0.08 -0.16 -5.01 116.55 108.58 1b77 n ASP 157 Ca 0.01 -2.75 0.07 0.00 -1.51 0.00 0.00 54.79 50.61 1b77 n ASP 157 Cb 0.26 -0.34 0.21 0.00 2.34 0.00 0.00 41.12 43.59 1b77 n ASP 157 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1b77 h SER 158 N 4.06 0.17 0.27 1.67 0.02 -1.80 -1.50 113.55 116.45 1b77 h SER 158 Ca 0.05 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1b77 h SER 158 Cb 0.90 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1b77 h SER 158 CO 0.44 0.02 -0.05 0.61 -1.14 0.00 0.00 176.83 176.71 1b77 n GLY 159 N -1.34 -0.93 3.49 -3.77 0.00 -1.26 -4.93 105.19 96.44 1b77 n GLY 159 Ca 0.16 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1b77 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b77 n LEU 160 N -0.92 -4.15 -0.00 0.99 4.77 -0.56 -4.92 117.00 112.20 1b77 n LEU 160 Ca 0.17 -0.81 0.02 0.00 -0.03 0.00 0.00 56.01 55.36 1b77 n LEU 160 Cb 0.23 -2.85 -0.02 0.00 -2.33 0.00 0.00 43.42 38.44 1b77 n LEU 160 CO 0.21 0.30 -0.13 1.07 -1.33 0.00 0.00 177.39 177.51 1b77 n THR 161 N -3.81 0.00 -3.89 -5.08 5.66 -1.26 -4.86 114.28 101.04 1b77 n THR 161 Ca -0.14 -0.34 -0.30 0.00 -3.05 0.00 0.00 64.05 60.22 1b77 n THR 161 Cb 0.63 0.87 -0.12 0.00 -1.55 0.00 0.00 70.33 70.16 1b77 n THR 161 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1b77 s ARG 162 N -1.58 2.37 0.26 1.09 0.52 -1.26 -5.09 118.95 115.27 1b77 s ARG 162 Ca 0.01 -3.06 -0.30 0.00 -0.52 0.00 0.00 55.73 51.86 1b77 s ARG 162 Cb 0.03 -3.45 -0.10 0.00 0.52 0.00 0.00 34.95 31.95 1b77 s ARG 162 CO 0.16 -1.22 1.39 -1.25 0.02 0.00 0.00 175.30 174.41 1b77 s PRO 163 N -0.99 4.30 -0.01 3.54 0.04 -1.26 -4.77 135.00 135.85 1b77 s PRO 163 Ca 0.22 2.25 0.22 0.00 0.04 0.00 0.00 61.00 63.73 1b77 s PRO 163 Cb -0.13 -3.11 -0.24 0.00 0.04 0.00 0.00 34.50 31.06 1b77 s PRO 163 CO -0.10 -0.34 0.74 1.63 0.04 0.00 0.00 177.00 178.96 1b77 n LYS 164 N 1.95 0.32 -3.72 4.56 5.02 -0.49 -4.95 118.16 120.85 1b77 n LYS 164 Ca 0.05 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 1b77 n LYS 164 Cb 0.41 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 1b77 n LYS 164 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1b77 s TYR 165 N -3.25 -0.43 -0.03 2.13 5.04 -1.23 -5.00 117.35 114.59 1b77 s TYR 165 Ca 0.01 0.99 -0.00 0.00 -2.44 0.00 0.00 57.07 55.62 1b77 s TYR 165 Cb 0.15 0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.65 1b77 s TYR 165 CO 0.88 -0.28 0.03 0.45 -1.34 0.00 0.00 175.55 175.29 1b77 s SER 166 N -0.14 0.35 -0.11 4.32 0.15 -1.26 -0.49 113.70 116.51 1b77 s SER 166 Ca -0.03 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.68 1b77 s SER 166 Cb -0.03 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1b77 s SER 166 CO 0.02 -0.15 -0.20 -0.22 1.20 0.00 0.00 173.24 173.89 1b77 s LEU 167 N 1.28 1.95 -0.14 3.45 2.96 0.13 -4.96 118.68 123.35 1b77 s LEU 167 Ca -0.06 -0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 53.13 1b77 s LEU 167 Cb -0.13 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1b77 s LEU 167 CO -0.03 0.09 0.60 -0.89 -1.32 0.00 0.00 176.35 174.80 1b77 s THR 168 N 0.68 5.08 0.00 3.68 2.01 -1.26 0.15 115.64 125.97 1b77 s THR 168 Ca -0.12 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1b77 s THR 168 Cb -0.16 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1b77 s THR 168 CO 0.03 0.21 0.00 0.18 -0.69 0.00 0.00 174.62 174.35 1b77 n LEU 169 N 4.29 0.06 -4.02 4.42 4.77 0.60 -4.98 117.00 122.14 1b77 n LEU 169 Ca -0.03 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1b77 n LEU 169 Cb 0.51 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1b77 n LEU 169 CO 0.44 -0.43 -0.04 0.42 -1.33 0.00 0.00 177.39 176.45 1b77 s THR 170 N -0.86 0.05 0.16 -5.08 -4.23 -1.22 -4.91 115.64 99.54 1b77 s THR 170 Ca 0.00 -1.53 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 1b77 s THR 170 Cb 0.00 -2.03 -0.08 0.00 1.34 0.00 0.00 72.50 71.73 1b77 s THR 170 CO 0.00 -0.21 1.22 -1.81 -0.54 0.00 0.00 174.62 173.28 1b77 s ASP 171 N -3.01 7.05 -0.32 3.99 1.01 -1.26 -0.83 116.67 123.29 1b77 s ASP 171 Ca 0.22 2.22 -0.14 0.00 0.71 0.00 0.00 52.55 55.56 1b77 s ASP 171 Cb 0.03 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 1b77 s ASP 171 CO 0.04 -0.42 0.30 -0.47 0.21 0.00 0.00 175.17 174.83 1b77 s TYR 172 N 0.23 3.22 -0.91 4.23 5.04 0.93 -4.81 117.35 125.29 1b77 s TYR 172 Ca 0.55 0.03 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1b77 s TYR 172 Cb -0.33 -2.55 0.31 0.00 0.35 0.00 0.00 41.96 39.74 1b77 s TYR 172 CO 0.35 -0.33 1.42 -0.25 -1.34 0.00 0.00 175.55 175.40 1b77 n ASP 173 N 5.25 6.08 -3.99 4.32 8.00 -1.26 -4.61 116.55 130.34 1b77 n ASP 173 Ca -0.11 -3.58 -0.13 0.00 0.71 0.00 0.00 54.79 51.68 1b77 n ASP 173 Cb 0.50 -1.02 -0.09 0.00 -0.02 0.00 0.00 41.12 40.50 1b77 n ASP 173 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1b77 s GLY 174 N -2.04 1.42 0.00 0.44 0.00 -1.26 -5.06 107.32 100.83 1b77 s GLY 174 Ca 0.39 -1.61 0.12 0.00 0.00 0.00 0.00 44.72 43.61 1b77 s GLY 174 CO -0.05 -1.26 0.85 1.44 0.00 0.00 0.00 173.10 174.08 1b77 n SER 175 N -0.53 1.90 -4.96 1.64 7.64 -1.26 -5.02 113.62 113.03 1b77 n SER 175 Ca 0.02 -1.45 -0.22 0.00 1.01 0.00 0.00 58.87 58.23 1b77 n SER 175 Cb 0.65 0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.92 1b77 n SER 175 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1b77 s ASN 176 N -1.02 5.48 -0.02 6.43 0.01 -1.26 -5.11 114.94 119.44 1b77 s ASN 176 Ca 0.13 0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.48 1b77 s ASN 176 Cb 0.10 -1.18 -0.00 0.00 0.41 0.00 0.00 41.25 40.57 1b77 s ASN 176 CO 0.16 -1.00 -0.12 0.20 -1.51 0.00 0.00 177.10 174.83 1b77 s ASN 177 N -4.35 1.52 0.19 -1.22 0.01 -1.26 -4.98 114.94 104.85 1b77 s ASN 177 Ca 0.54 -0.24 -0.17 0.00 -0.71 0.00 0.00 52.86 52.28 1b77 s ASN 177 Cb -0.10 -0.33 0.03 0.00 0.41 0.00 0.00 41.25 41.26 1b77 s ASN 177 CO 0.39 0.12 0.50 0.72 -1.51 0.00 0.00 177.10 177.32 1b77 s PHE 178 N -0.01 -0.11 -0.47 2.20 -0.12 -1.26 -1.87 117.98 116.33 1b77 s PHE 178 Ca -0.00 -0.22 0.06 0.00 -0.05 0.00 0.00 56.93 56.71 1b77 s PHE 178 Cb -0.08 0.36 0.18 0.00 -0.63 0.00 0.00 43.02 42.86 1b77 s PHE 178 CO 0.00 -0.89 0.61 1.21 -0.05 0.00 0.00 175.22 176.11 1b77 s ASN 179 N -2.87 -0.68 0.00 1.98 2.47 0.03 -3.26 114.94 112.61 1b77 s ASN 179 Ca 0.09 -1.86 -0.29 0.00 0.42 0.00 0.00 52.86 51.22 1b77 s ASN 179 Cb -0.01 1.34 -0.04 0.00 -1.45 0.00 0.00 41.25 41.10 1b77 s ASN 179 CO -0.04 -0.11 0.91 -0.36 -3.72 0.00 0.00 177.10 173.79 1b77 s PHE 180 N 0.89 3.67 -0.15 0.43 0.08 -0.44 -2.26 117.98 120.19 1b77 s PHE 180 Ca 0.28 1.62 -0.05 0.00 0.12 0.00 0.00 56.93 58.89 1b77 s PHE 180 Cb -0.01 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.37 1b77 s PHE 180 CO -0.08 0.05 0.03 0.08 -0.10 0.00 0.00 175.22 175.20 1b77 s VAL 181 N 0.79 4.48 -0.07 -0.44 1.01 -1.26 -0.40 120.40 124.51 1b77 s VAL 181 Ca 0.48 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1b77 s VAL 181 Cb -0.21 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1b77 s VAL 181 CO 0.26 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 175.09 1b77 s ILE 182 N 0.07 1.34 -0.21 2.22 1.01 -0.33 -0.74 121.20 124.56 1b77 s ILE 182 Ca 0.03 -0.60 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1b77 s ILE 182 Cb -0.13 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 1b77 s ILE 182 CO 0.01 0.40 1.47 0.21 0.00 0.00 0.00 174.94 177.04 1b77 s ASN 183 N 0.55 6.59 0.65 3.58 3.84 -1.26 -1.71 114.94 127.18 1b77 s ASN 183 Ca -0.15 1.59 0.28 0.00 0.21 0.00 0.00 52.86 54.80 1b77 s ASN 183 Cb -0.16 -2.54 1.51 0.00 -0.55 0.00 0.00 41.25 39.52 1b77 s ASN 183 CO 0.05 -1.08 1.87 0.24 -2.79 0.00 0.00 177.10 175.38 1b77 h MET 184 N 9.76 0.00 0.00 0.43 2.86 -1.45 0.24 114.93 126.77 1b77 h MET 184 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1b77 h MET 184 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1b77 h MET 184 CO 1.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.97 1b77 h ALA 185 N 1.29 1.00 -0.24 6.32 0.00 -1.89 -2.59 119.26 123.15 1b77 h ALA 185 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b77 h ALA 185 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1b77 h ALA 185 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1b77 n ASN 186 N -2.60 2.64 -2.38 0.00 3.02 0.84 -4.46 115.26 112.31 1b77 n ASN 186 Ca 0.02 -1.86 -0.25 0.00 -0.03 0.00 0.00 54.58 52.45 1b77 n ASN 186 Cb 0.30 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1b77 n ASN 186 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1b77 n MET 187 N 0.98 2.30 -1.58 3.52 2.81 -0.98 -4.80 117.12 119.37 1b77 n MET 187 Ca 0.17 -2.24 -0.40 0.00 -1.81 0.00 0.00 57.70 53.42 1b77 n MET 187 Cb 0.49 -2.05 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 1b77 n MET 187 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1b77 n LYS 188 N 0.71 3.66 -4.51 0.03 5.02 -1.26 -4.92 118.16 116.88 1b77 n LYS 188 Ca 0.46 -2.58 -0.34 0.00 -2.02 0.00 0.00 58.31 53.83 1b77 n LYS 188 Cb 0.55 -2.89 -0.11 0.00 -0.02 0.00 0.00 35.03 32.56 1b77 n LYS 188 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1b77 s ILE 189 N 1.74 3.84 0.88 -0.18 -4.36 -1.26 -4.95 121.20 116.91 1b77 s ILE 189 Ca 0.60 -0.41 -0.11 0.00 -0.26 0.00 0.00 60.65 60.48 1b77 s ILE 189 Cb 0.17 -2.62 0.12 0.00 1.25 0.00 0.00 42.46 41.38 1b77 s ILE 189 CO -0.07 0.56 1.11 0.00 0.24 0.00 0.00 174.94 176.78 1b77 s GLN 190 N -0.36 1.36 0.49 0.37 -2.07 -1.26 -4.95 119.66 113.24 1b77 s GLN 190 Ca 0.06 1.26 -0.23 0.00 -1.82 0.00 0.00 55.36 54.62 1b77 s GLN 190 Cb -0.12 -1.79 -0.06 0.00 -1.09 0.00 0.00 33.01 29.95 1b77 s GLN 190 CO 0.02 -2.30 1.27 -1.25 -1.32 0.00 0.00 175.29 171.71 1b77 s PRO 191 N -4.77 3.50 0.00 9.60 0.04 -1.26 -4.96 135.00 137.16 1b77 s PRO 191 Ca 0.64 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1b77 s PRO 191 Cb -0.20 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1b77 s PRO 191 CO 0.58 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 177.19 1b77 n GLY 192 N 0.59 0.61 3.71 0.56 0.00 -1.26 -5.09 105.19 104.31 1b77 n GLY 192 Ca 0.08 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 1b77 n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b77 s ASN 193 N 0.00 6.81 0.02 1.61 0.01 -1.26 -3.33 114.94 118.81 1b77 s ASN 193 Ca 0.00 0.98 0.06 0.00 -0.71 0.00 0.00 52.86 53.19 1b77 s ASN 193 Cb 0.00 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 1b77 s ASN 193 CO 0.00 -0.10 -0.19 -0.31 -1.51 0.00 0.00 177.10 174.99 1b77 s TYR 194 N 0.92 1.66 -0.02 2.20 1.51 -0.71 -4.18 117.35 118.74 1b77 s TYR 194 Ca 0.31 -0.35 -0.19 0.00 -1.01 0.00 0.00 57.07 55.84 1b77 s TYR 194 Cb -0.16 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.61 1b77 s TYR 194 CO 0.14 0.04 0.54 0.21 -1.11 0.00 0.00 175.55 175.37 1b77 s LYS 195 N -0.89 4.25 -0.19 -0.62 2.20 0.53 -1.62 119.74 123.39 1b77 s LYS 195 Ca 0.06 0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 56.30 1b77 s LYS 195 Cb -0.08 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1b77 s LYS 195 CO 0.01 0.41 -0.15 0.08 -0.36 0.00 0.00 175.35 175.34 1b77 s VAL 196 N -0.28 2.54 -0.16 4.02 1.01 -0.05 -0.72 120.40 126.75 1b77 s VAL 196 Ca 0.29 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1b77 s VAL 196 Cb -0.18 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1b77 s VAL 196 CO 0.15 0.50 -0.15 -0.04 0.00 0.00 0.00 175.10 175.57 1b77 s MET 197 N 1.26 3.22 -0.11 2.72 -1.94 0.48 -0.57 119.30 124.36 1b77 s MET 197 Ca 0.03 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 1b77 s MET 197 Cb -0.14 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.05 1b77 s MET 197 CO -0.08 0.01 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.33 1b77 s LEU 198 N 0.82 2.88 -0.04 -0.03 1.43 -0.07 0.36 118.68 124.04 1b77 s LEU 198 Ca -0.05 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1b77 s LEU 198 Cb -0.15 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1b77 s LEU 198 CO -0.00 0.23 -0.16 0.86 0.23 0.00 0.00 176.35 177.51 1b77 s TRP 199 N -0.05 1.63 -0.05 0.29 -0.00 0.09 0.40 118.94 121.25 1b77 s TRP 199 Ca -0.02 -0.45 -0.02 0.00 -0.00 0.00 0.00 56.10 55.61 1b77 s TRP 199 Cb -0.14 -1.10 0.03 0.00 -0.00 0.00 0.00 33.47 32.27 1b77 s TRP 199 CO 0.03 -0.15 0.11 0.20 -0.00 0.00 0.00 176.95 177.14 1b77 s GLY 200 N 0.03 -0.01 -0.30 5.86 0.00 -1.26 -1.69 107.32 109.95 1b77 s GLY 200 Ca -0.03 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.24 1b77 s GLY 200 CO 0.02 0.81 0.41 0.00 0.00 0.00 0.00 173.10 174.34 1b77 s ALA 201 N 0.97 -1.15 0.00 3.20 0.00 0.21 -4.77 121.76 120.22 1b77 s ALA 201 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1b77 s ALA 201 Cb -0.10 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.92 1b77 s ALA 201 CO -0.04 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.31 1b77 n GLY 202 N 5.19 2.64 0.09 0.00 0.00 -1.26 -1.78 105.19 110.07 1b77 n GLY 202 Ca 0.02 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1b77 n GLY 202 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b77 n ASP 203 N 5.36 0.58 -4.64 1.61 8.00 -1.26 -4.77 116.55 121.42 1b77 n ASP 203 Ca 0.00 0.59 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 1b77 n ASP 203 Cb 0.00 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.31 1b77 n ASP 203 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1b77 s LYS 204 N -3.14 4.17 -0.01 -1.24 1.02 -0.74 -5.00 119.74 114.80 1b77 s LYS 204 Ca 0.09 0.66 0.01 0.00 0.02 0.00 0.00 55.97 56.74 1b77 s LYS 204 Cb 0.12 -3.62 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 1b77 s LYS 204 CO 0.49 -0.36 -0.01 0.14 -0.92 0.00 0.00 175.35 174.69 1b77 s VAL 205 N 2.32 0.17 0.06 3.17 -7.23 -1.26 -0.62 120.40 117.02 1b77 s VAL 205 Ca 0.29 -0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 60.23 1b77 s VAL 205 Cb -0.16 -0.20 0.05 0.00 0.56 0.00 0.00 36.38 36.64 1b77 s VAL 205 CO 0.09 0.09 0.50 0.00 -0.31 0.00 0.00 175.10 175.47 1b77 s ALA 206 N 0.37 -1.27 0.06 1.32 0.00 -0.68 -2.74 121.76 118.82 1b77 s ALA 206 Ca -0.03 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.47 1b77 s ALA 206 Cb -0.06 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1b77 s ALA 206 CO -0.01 -0.53 -0.15 0.00 0.00 0.00 0.00 175.76 175.07 1b77 s ALA 207 N -2.69 1.23 -0.12 0.00 0.00 0.13 -0.73 121.76 119.59 1b77 s ALA 207 Ca -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1b77 s ALA 207 Cb -0.00 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.98 1b77 s ALA 207 CO -0.04 0.21 -0.21 0.21 0.00 0.00 0.00 175.76 175.93 1b77 s LYS 208 N -1.50 2.87 -0.23 0.00 2.20 0.16 0.10 119.74 123.34 1b77 s LYS 208 Ca 0.00 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.78 1b77 s LYS 208 Cb -0.09 -2.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1b77 s LYS 208 CO 0.02 0.05 -0.06 -0.06 -0.36 0.00 0.00 175.35 174.94 1b77 s PHE 209 N 0.66 2.97 -0.10 4.03 0.40 -0.47 -0.39 117.98 125.07 1b77 s PHE 209 Ca -0.12 -1.20 0.02 0.00 -0.60 0.00 0.00 56.93 55.03 1b77 s PHE 209 Cb -0.16 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.31 1b77 s PHE 209 CO 0.02 -0.63 -0.14 -2.00 0.70 0.00 0.00 175.22 173.17 1b77 s GLU 210 N 1.41 2.08 0.53 0.44 2.12 0.10 0.11 118.70 125.50 1b77 s GLU 210 Ca 0.04 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 54.88 1b77 s GLU 210 Cb -0.15 -1.78 0.01 0.00 0.26 0.00 0.00 34.13 32.47 1b77 s GLU 210 CO -0.05 -0.06 0.14 -1.54 -0.54 0.00 0.00 175.26 173.22 1b77 s SER 211 N 0.98 4.32 0.50 -1.70 1.04 0.03 -0.35 113.70 118.51 1b77 s SER 211 Ca -0.07 -1.55 0.29 0.00 0.48 0.00 0.00 55.95 55.10 1b77 s SER 211 Cb -0.15 0.59 0.97 0.00 0.10 0.00 0.00 66.02 67.53 1b77 s SER 211 CO -0.01 -0.99 1.84 0.77 0.98 0.00 0.00 173.24 175.83 1b77 h SER 212 N 1.09 0.00 0.15 7.02 4.64 -2.01 -3.31 113.55 121.14 1b77 h SER 212 Ca -0.41 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.55 1b77 h SER 212 Cb 1.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.35 1b77 h SER 212 CO 0.68 0.05 -2.16 0.00 -0.87 0.00 0.00 176.83 174.53 1b77 n GLN 213 N -3.14 0.68 -3.72 4.77 1.13 -1.26 -5.01 117.38 110.83 1b77 n GLN 213 Ca 0.01 0.16 -0.10 0.00 -1.94 0.00 0.00 57.00 55.14 1b77 n GLN 213 Cb 0.40 -1.63 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 1b77 n GLN 213 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1b77 s VAL 214 N -2.54 0.04 0.00 5.09 -7.23 -1.25 -4.44 120.40 110.07 1b77 s VAL 214 Ca -0.17 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1b77 s VAL 214 Cb 0.07 -1.49 -0.00 0.00 0.56 0.00 0.00 36.38 35.52 1b77 s VAL 214 CO 0.76 -0.16 -0.01 -0.94 -0.31 0.00 0.00 175.10 174.44 1b77 s SER 215 N -2.86 0.06 0.22 4.85 1.04 -0.87 -0.79 113.70 115.36 1b77 s SER 215 Ca 0.08 -0.08 0.11 0.00 0.48 0.00 0.00 55.95 56.54 1b77 s SER 215 Cb -0.00 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 1b77 s SER 215 CO -0.05 -0.05 -0.21 -0.31 0.98 0.00 0.00 173.24 173.60 1b77 s TYR 216 N -0.24 2.22 -0.16 5.02 1.51 0.12 -2.12 117.35 123.69 1b77 s TYR 216 Ca -0.03 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.67 1b77 s TYR 216 Cb -0.02 -1.04 0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1b77 s TYR 216 CO -0.00 0.56 -0.08 0.08 -1.11 0.00 0.00 175.55 175.00 1b77 s VAL 217 N -2.09 1.28 -0.12 0.71 1.01 -0.23 -1.37 120.40 119.58 1b77 s VAL 217 Ca 0.24 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1b77 s VAL 217 Cb -0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1b77 s VAL 217 CO 0.11 0.21 -0.18 -0.63 0.00 0.00 0.00 175.10 174.61 1b77 s ILE 218 N 1.57 2.53 0.08 2.22 1.01 0.12 -0.99 121.20 127.73 1b77 s ILE 218 Ca 0.01 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 1b77 s ILE 218 Cb -0.15 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.24 1b77 s ILE 218 CO -0.08 0.54 1.13 0.00 0.00 0.00 0.00 174.94 176.53 1b77 s ALA 219 N 0.43 3.34 0.28 9.38 0.00 -0.17 -0.69 121.76 134.34 1b77 s ALA 219 Ca -0.13 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1b77 s ALA 219 Cb -0.17 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1b77 s ALA 219 CO 0.06 -0.34 0.43 -1.64 0.00 0.00 0.00 175.76 174.27 1b77 s MET 220 N 0.72 3.43 0.58 0.00 1.00 -1.11 -4.76 119.30 119.17 1b77 s MET 220 Ca 0.55 -0.63 -0.16 0.00 0.00 0.00 0.00 55.69 55.46 1b77 s MET 220 Cb -0.28 -2.81 -0.05 0.00 0.00 0.00 0.00 34.83 31.70 1b77 s MET 220 CO 0.30 0.31 1.04 -1.21 0.00 0.00 0.00 175.02 175.46 1b77 s GLU 221 N -4.11 3.46 0.54 2.03 0.41 0.08 -4.82 118.70 116.28 1b77 s GLU 221 Ca 0.37 1.15 0.21 0.00 -0.41 0.00 0.00 54.97 56.29 1b77 s GLU 221 Cb -0.09 -2.05 1.41 0.00 -1.78 0.00 0.00 34.13 31.61 1b77 s GLU 221 CO 0.32 -0.69 2.11 0.00 -0.49 0.00 0.00 175.26 176.50 1b77 h ALA 222 N 0.55 2.07 -0.10 5.21 0.00 -1.94 -1.14 119.26 123.90 1b77 h ALA 222 Ca -0.47 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1b77 h ALA 222 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1b77 h ALA 222 CO 0.58 -0.21 0.16 -0.44 0.00 0.00 0.00 179.25 179.34 1b77 h ASP 223 N 0.00 0.00 -3.47 0.00 3.32 -1.93 -3.44 116.42 110.90 1b77 h ASP 223 Ca 0.08 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.56 1b77 h ASP 223 Cb 0.33 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.05 1b77 h ASP 223 CO -0.00 0.00 0.02 -1.20 -1.72 0.00 0.00 179.24 176.34 1b77 n SER 224 N -3.50 0.40 -3.88 6.45 7.64 -0.43 -4.90 113.62 115.40 1b77 n SER 224 Ca -0.00 0.78 -0.11 0.00 1.01 0.00 0.00 58.87 60.55 1b77 n SER 224 Cb 0.26 -1.35 -0.09 0.00 -1.01 0.00 0.00 64.21 62.02 1b77 n SER 224 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1b77 s THR 225 N -1.56 0.10 -0.02 0.44 -4.23 -0.96 -4.99 115.64 104.42 1b77 s THR 225 Ca 0.75 -0.83 -0.30 0.00 -1.18 0.00 0.00 61.69 60.13 1b77 s THR 225 Cb -0.42 -0.63 0.11 0.00 1.34 0.00 0.00 72.50 72.89 1b77 s THR 225 CO 0.48 -0.46 1.08 -1.38 -0.54 0.00 0.00 174.62 173.81 1b77 s HIS 226 N -1.90 -0.17 -0.28 3.99 -3.43 -1.26 -0.79 115.29 111.45 1b77 s HIS 226 Ca -0.11 0.02 0.08 0.00 -0.80 0.00 0.00 55.06 54.26 1b77 s HIS 226 Cb -0.05 0.56 0.45 0.00 -1.43 0.00 0.00 32.58 32.11 1b77 s HIS 226 CO -0.01 -0.46 1.25 -0.40 -2.00 0.00 0.00 174.74 173.13 1b77 n ASP 227 N -0.31 3.70 -0.19 7.38 5.68 -0.78 -4.99 116.55 127.03 1b77 n ASP 227 Ca -0.06 -3.81 0.15 0.00 -0.50 0.00 0.00 54.79 50.57 1b77 n ASP 227 Cb 0.61 -0.45 0.78 0.00 -1.14 0.00 0.00 41.12 40.92 1b77 n ASP 227 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36