#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtg n ASN 2 N 0.00 2.05 -3.15 6.12 3.02 -1.26 -5.01 115.26 117.04 3gtg n ASN 2 Ca 0.00 -0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 53.99 3gtg n ASN 2 Cb 0.00 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 3gtg n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtg n ALA 3 N -3.24 -1.86 -2.87 5.41 0.00 -1.26 -4.91 120.51 111.78 3gtg n ALA 3 Ca -0.44 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 3gtg n ALA 3 Cb 0.97 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 3gtg n ALA 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gtg s PRO 4 N 0.94 3.46 -0.08 0.00 0.04 -1.26 -4.96 135.00 133.13 3gtg s PRO 4 Ca 0.66 -0.14 -0.37 0.00 0.04 0.00 0.00 61.00 61.20 3gtg s PRO 4 Cb -0.94 -3.18 -0.18 0.00 0.04 0.00 0.00 34.50 30.25 3gtg s PRO 4 CO 0.47 0.76 1.04 -0.25 0.04 0.00 0.00 177.00 179.05 3gtg n ASP 5 N 1.81 0.19 0.14 6.66 8.00 -1.26 -4.75 116.55 127.34 3gtg n ASP 5 Ca -0.18 1.04 0.18 0.00 0.71 0.00 0.00 54.79 56.53 3gtg n ASP 5 Cb 0.55 -0.81 0.67 0.00 -0.02 0.00 0.00 41.12 41.50 3gtg n ASP 5 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3gtg h ARG 6 N 2.99 0.00 0.00 -1.24 2.47 -2.04 0.03 114.38 116.59 3gtg h ARG 6 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 3gtg h ARG 6 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3gtg h ARG 6 CO 0.63 0.00 0.00 1.97 0.56 0.00 0.00 179.97 183.13 3gtg n PHE 7 N -3.30 0.00 -0.69 3.04 1.16 -1.26 -3.49 117.46 112.92 3gtg n PHE 7 Ca 0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.58 3gtg n PHE 7 Cb 0.70 -0.19 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 3gtg n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3gtg n GLU 8 N -1.19 1.36 -0.01 3.97 1.02 -0.01 -3.17 120.64 122.61 3gtg n GLU 8 Ca 0.14 -0.55 -0.00 0.00 -0.02 0.00 0.00 57.16 56.73 3gtg n GLU 8 Cb 0.16 -1.31 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3gtg n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gtg n LEU 9 N 1.37 0.00 0.00 -4.62 7.99 -1.23 -4.78 117.00 115.74 3gtg n LEU 9 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 3gtg n LEU 9 Cb 0.57 0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 3gtg n LEU 9 CO 0.11 0.04 0.03 2.22 -1.51 0.00 0.00 177.39 178.28 3gtg n PHE 10 N -1.94 0.00 -4.23 -1.77 1.16 -1.23 -4.37 117.46 105.08 3gtg n PHE 10 Ca -0.03 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.31 3gtg n PHE 10 Cb 0.43 0.07 -0.08 0.00 -1.61 0.00 0.00 39.48 38.29 3gtg n PHE 10 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gtg s LEU 11 N 0.00 3.09 -0.03 5.98 1.02 -1.19 -5.04 118.68 122.51 3gtg s LEU 11 Ca 0.00 -0.96 0.04 0.00 0.02 0.00 0.00 54.13 53.23 3gtg s LEU 11 Cb 0.00 -1.47 -0.00 0.00 0.02 0.00 0.00 46.19 44.73 3gtg s LEU 11 CO 0.00 -0.33 -0.14 -0.76 0.02 0.00 0.00 176.35 175.14 3gtg s LEU 12 N -3.80 1.89 0.00 1.79 1.02 -1.26 -4.82 118.68 113.50 3gtg s LEU 12 Ca 0.37 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.23 3gtg s LEU 12 Cb 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.41 3gtg s LEU 12 CO 0.21 0.13 0.00 0.61 0.02 0.00 0.00 176.35 177.32 3gtg n GLY 13 N 3.12 -1.98 3.65 -3.19 0.00 -1.26 -4.92 105.19 100.60 3gtg n GLY 13 Ca -0.18 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 3gtg n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtg s GLU 14 N -1.32 3.99 -0.70 1.61 2.02 -1.26 -3.71 118.70 119.33 3gtg s GLU 14 Ca 0.00 1.99 -0.06 0.00 0.02 0.00 0.00 54.97 56.92 3gtg s GLU 14 Cb 0.00 -4.02 0.01 0.00 0.10 0.00 0.00 34.13 30.22 3gtg s GLU 14 CO 0.00 -1.07 0.65 0.41 0.02 0.00 0.00 175.26 175.27 3gtg n GLY 15 N 4.39 -1.12 2.24 -1.39 0.00 -1.26 -4.99 105.19 103.06 3gtg n GLY 15 Ca 0.18 0.69 -0.21 0.00 0.00 0.00 0.00 46.02 46.68 3gtg n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gtg n GLU 16 N -1.74 1.08 -1.52 1.61 1.02 -1.24 -5.12 120.64 114.72 3gtg n GLU 16 Ca -0.12 -3.47 -0.54 0.00 -0.02 0.00 0.00 57.16 53.02 3gtg n GLU 16 Cb 0.59 -1.58 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 3gtg n GLU 16 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3gtg n SER 17 N 0.69 0.46 0.00 1.62 7.64 -1.26 -4.76 113.62 118.01 3gtg n SER 17 Ca 0.24 1.14 0.08 0.00 1.01 0.00 0.00 58.87 61.35 3gtg n SER 17 Cb 0.58 -1.04 0.47 0.00 -1.01 0.00 0.00 64.21 63.22 3gtg n SER 17 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3gtg n LYS 18 N 1.72 0.39 -3.77 1.43 0.00 -1.26 -4.29 118.16 112.37 3gtg n LYS 18 Ca 0.18 0.06 -0.13 0.00 0.00 0.00 0.00 58.31 58.43 3gtg n LYS 18 Cb 0.15 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.55 3gtg n LYS 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gtg s LEU 19 N -2.28 0.98 -0.05 3.14 1.43 -1.26 -3.68 118.68 116.96 3gtg s LEU 19 Ca 0.21 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 3gtg s LEU 19 Cb 0.12 0.41 -0.02 0.00 0.03 0.00 0.00 46.19 46.73 3gtg s LEU 19 CO 0.23 -0.11 -0.24 -0.75 0.23 0.00 0.00 176.35 175.71 3gtg s LYS 20 N 0.79 2.46 -0.09 1.70 2.20 -1.16 -4.99 119.74 120.66 3gtg s LYS 20 Ca -0.06 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.69 3gtg s LYS 20 Cb -0.08 -2.17 0.01 0.00 -1.51 0.00 0.00 37.83 34.08 3gtg s LYS 20 CO -0.04 0.45 -0.14 -1.50 -0.36 0.00 0.00 175.35 173.76 3gtg s ILE 21 N -0.33 1.33 0.03 5.43 2.07 -1.26 -0.14 121.20 128.33 3gtg s ILE 21 Ca 0.02 -0.57 0.02 0.00 -1.41 0.00 0.00 60.65 58.71 3gtg s ILE 21 Cb -0.12 -1.21 -0.02 0.00 0.13 0.00 0.00 42.46 41.23 3gtg s ILE 21 CO 0.02 0.40 -0.07 -1.81 -1.91 0.00 0.00 174.94 171.58 3gtg s ASP 22 N 0.82 0.74 0.03 4.50 1.01 -0.95 -5.02 116.67 117.81 3gtg s ASP 22 Ca -0.11 -0.48 -0.28 0.00 0.71 0.00 0.00 52.55 52.39 3gtg s ASP 22 Cb -0.15 0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 3gtg s ASP 22 CO 0.02 -0.18 0.89 -2.16 0.21 0.00 0.00 175.17 173.95 3gtg s PRO 23 N -1.37 4.57 -0.01 8.23 0.05 -1.26 -0.85 135.00 144.35 3gtg s PRO 23 Ca -0.09 1.28 -0.30 0.00 0.05 0.00 0.00 61.00 61.94 3gtg s PRO 23 Cb -0.09 -3.41 -0.05 0.00 0.05 0.00 0.00 34.50 31.00 3gtg s PRO 23 CO 0.00 0.11 1.29 0.34 0.05 0.00 0.00 177.00 178.80 3gtg s ASP 24 N 0.46 6.96 0.42 6.66 3.68 -0.78 -4.87 116.67 129.21 3gtg s ASP 24 Ca 0.46 1.98 0.24 0.00 2.13 0.00 0.00 52.55 57.36 3gtg s ASP 24 Cb -0.21 -2.56 0.51 0.00 -1.45 0.00 0.00 42.92 39.20 3gtg s ASP 24 CO 0.26 -0.63 1.67 0.71 0.13 0.00 0.00 175.17 177.31 3gtg h THR 25 N 4.90 0.00 0.02 1.71 1.35 -1.95 -3.36 112.91 115.57 3gtg h THR 25 Ca -0.37 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 3gtg h THR 25 Cb 1.18 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 3gtg h THR 25 CO 0.88 0.00 -0.11 0.11 -0.25 0.00 0.00 175.52 176.15 3gtg h LYS 26 N 0.00 0.05 -6.49 4.72 1.79 -1.97 -3.47 116.57 111.20 3gtg h LYS 26 Ca 0.00 -0.07 -0.64 0.00 -2.18 0.00 0.00 60.65 57.76 3gtg h LYS 26 Cb 0.91 0.03 -0.16 0.00 -1.58 0.00 0.00 32.23 31.43 3gtg h LYS 26 CO 0.00 0.99 -0.77 0.00 -1.08 0.00 0.00 179.45 178.58 3gtg s ALA 27 N -2.45 2.72 0.15 3.86 0.00 -1.26 -5.13 121.76 119.65 3gtg s ALA 27 Ca -0.18 -1.62 -0.28 0.00 0.00 0.00 0.00 51.96 49.89 3gtg s ALA 27 Cb -0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 3gtg s ALA 27 CO 0.71 0.42 0.87 -2.14 0.00 0.00 0.00 175.76 175.61 3gtg s PRO 28 N -2.87 4.67 -0.52 0.00 0.02 -1.26 -4.21 135.00 130.82 3gtg s PRO 28 Ca 0.24 1.30 -0.01 0.00 0.02 0.00 0.00 61.00 62.55 3gtg s PRO 28 Cb -0.08 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.13 3gtg s PRO 28 CO 0.13 0.41 0.44 -1.71 -0.33 0.00 0.00 177.00 175.93 3gtg n ASN 29 N 2.12 -2.53 -3.88 2.53 5.15 -1.26 -4.93 115.26 112.45 3gtg n ASN 29 Ca -0.02 -0.25 -0.11 0.00 -0.60 0.00 0.00 54.58 53.60 3gtg n ASN 29 Cb 0.49 -2.42 -0.10 0.00 -0.53 0.00 0.00 39.78 37.21 3gtg n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gtg s ALA 30 N -3.15 -0.27 -0.04 5.20 0.00 -1.26 -3.28 121.76 118.97 3gtg s ALA 30 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3gtg s ALA 30 Cb -0.03 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.21 3gtg s ALA 30 CO 0.30 -0.20 0.13 0.08 0.00 0.00 0.00 175.76 176.08 3gtg s VAL 31 N -1.38 0.02 -0.16 0.00 1.01 -0.37 -1.86 120.40 117.66 3gtg s VAL 31 Ca -0.15 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3gtg s VAL 31 Cb -0.08 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.08 3gtg s VAL 31 CO 0.01 -0.11 -0.08 0.54 0.00 0.00 0.00 175.10 175.46 3gtg s VAL 32 N -0.34 1.28 -0.12 2.92 0.11 -0.03 -0.59 120.40 123.63 3gtg s VAL 32 Ca -0.04 -0.67 -0.05 0.00 -2.93 0.00 0.00 61.98 58.29 3gtg s VAL 32 Cb -0.03 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 3gtg s VAL 32 CO 0.00 0.21 0.06 -0.63 -3.33 0.00 0.00 175.10 171.42 3gtg s ILE 33 N 1.57 4.81 -0.48 7.04 1.01 0.29 -2.23 121.20 133.21 3gtg s ILE 33 Ca 0.01 -0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.51 3gtg s ILE 33 Cb -0.15 -3.09 0.12 0.00 0.01 0.00 0.00 42.46 39.35 3gtg s ILE 33 CO -0.08 0.57 0.37 -0.89 0.00 0.00 0.00 174.94 174.91 3gtg s THR 34 N -0.61 4.39 0.18 2.92 2.01 0.80 -1.42 115.64 123.91 3gtg s THR 34 Ca 0.11 -1.72 -0.30 0.00 0.31 0.00 0.00 61.69 60.09 3gtg s THR 34 Cb -0.12 -3.87 -0.08 0.00 0.01 0.00 0.00 72.50 68.45 3gtg s THR 34 CO 0.02 -0.78 1.06 -0.36 -0.69 0.00 0.00 174.62 173.87 3gtg s PHE 35 N 1.41 3.68 0.33 4.92 0.40 -1.06 -2.97 117.98 124.69 3gtg s PHE 35 Ca 0.05 1.68 0.06 0.00 -0.60 0.00 0.00 56.93 58.13 3gtg s PHE 35 Cb -0.27 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.05 3gtg s PHE 35 CO 0.00 -0.32 0.47 -1.21 0.70 0.00 0.00 175.22 174.86 3gtg s GLU 36 N -0.49 3.14 -1.33 0.44 0.41 -1.24 -3.21 118.70 116.42 3gtg s GLU 36 Ca 0.47 -0.97 -0.15 0.00 -0.41 0.00 0.00 54.97 53.91 3gtg s GLU 36 Cb -0.28 -2.82 0.15 0.00 -1.78 0.00 0.00 34.13 29.40 3gtg s GLU 36 CO 0.34 0.08 0.38 1.63 -0.49 0.00 0.00 175.26 177.20 3gtg n LYS 37 N -1.64 -0.81 -4.19 1.61 4.76 -1.23 -4.84 118.16 111.82 3gtg n LYS 37 Ca -0.01 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 3gtg n LYS 37 Cb 0.58 -3.29 -0.09 0.00 -1.84 0.00 0.00 35.03 30.40 3gtg n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gtg s GLU 38 N -5.55 1.40 0.00 1.97 0.41 -1.26 -4.51 118.70 111.16 3gtg s GLU 38 Ca 0.53 -1.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 3gtg s GLU 38 Cb -0.31 0.31 0.00 0.00 -1.78 0.00 0.00 34.13 32.35 3gtg s GLU 38 CO 0.74 -0.50 0.00 -0.40 -0.49 0.00 0.00 175.26 174.61 3gtg n ASP 39 N -0.63 0.00 0.24 -0.19 5.75 -1.26 -1.98 116.55 118.47 3gtg n ASP 39 Ca 0.03 -0.15 0.17 0.00 -0.01 0.00 0.00 54.79 54.83 3gtg n ASP 39 Cb 0.64 0.00 0.88 0.00 -1.03 0.00 0.00 41.12 41.62 3gtg n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gtg h HIS 40 N 0.15 0.00 -0.48 2.11 3.86 -2.00 0.29 115.15 119.08 3gtg h HIS 40 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3gtg h HIS 40 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 3gtg h HIS 40 CO 0.00 0.00 0.18 1.15 0.86 0.00 0.00 177.93 180.12 3gtg h THR 41 N 0.00 1.18 0.00 2.45 2.02 -2.00 -3.12 112.91 113.44 3gtg h THR 41 Ca 0.06 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3gtg h THR 41 Cb 0.39 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3gtg h THR 41 CO -0.00 0.23 0.00 -0.11 0.37 0.00 0.00 175.52 176.01 3gtg n LEU 42 N -4.35 0.02 -0.39 2.58 7.94 0.86 -4.39 117.00 119.28 3gtg n LEU 42 Ca 0.04 0.15 -0.08 0.00 -1.11 0.00 0.00 56.01 55.01 3gtg n LEU 42 Cb 0.16 -0.49 -0.05 0.00 0.53 0.00 0.00 43.42 43.57 3gtg n LEU 42 CO 0.38 -0.49 0.49 0.61 -1.11 0.00 0.00 177.39 177.27 3gtg n GLY 43 N 1.68 -2.32 0.36 -3.96 0.00 -0.19 0.25 105.19 101.01 3gtg n GLY 43 Ca 0.00 1.11 0.13 0.00 0.00 0.00 0.00 46.02 47.26 3gtg n GLY 43 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3gtg h ASN 44 N 0.00 0.78 0.09 1.61 -1.24 -1.76 -1.81 115.58 113.24 3gtg h ASN 44 Ca 0.21 0.09 -0.27 0.00 0.71 0.00 0.00 56.30 57.04 3gtg h ASN 44 Cb 0.44 -0.05 0.02 0.00 0.73 0.00 0.00 38.32 39.46 3gtg h ASN 44 CO -0.91 0.29 -1.07 0.25 -1.29 0.00 0.00 177.43 174.71 3gtg h LEU 45 N 0.77 0.84 -0.52 0.34 5.85 -0.39 -2.78 115.31 119.42 3gtg h LEU 45 Ca 0.57 -0.70 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3gtg h LEU 45 Cb 0.88 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3gtg h LEU 45 CO -0.36 1.50 0.33 0.40 -0.34 0.00 0.00 178.44 179.97 3gtg h ILE 46 N 0.35 1.10 0.54 4.05 2.04 -1.03 -2.65 117.51 121.91 3gtg h ILE 46 Ca -0.13 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3gtg h ILE 46 Cb 1.72 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3gtg h ILE 46 CO 0.20 0.12 -0.38 -0.09 0.00 0.00 0.00 178.15 178.01 3gtg h ARG 47 N 0.66 -0.86 -0.42 2.37 2.43 -1.35 -1.37 114.38 115.84 3gtg h ARG 47 Ca 0.20 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 3gtg h ARG 47 Cb -0.04 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 3gtg h ARG 47 CO -0.06 -0.57 -0.02 0.00 -1.51 0.00 0.00 179.97 177.80 3gtg h ALA 48 N -0.55 0.37 0.00 2.80 0.00 -1.45 0.28 119.26 120.71 3gtg h ALA 48 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gtg h ALA 48 Cb 0.74 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gtg h ALA 48 CO 0.03 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.27 3gtg n GLU 49 N -5.23 0.46 0.01 0.00 -0.58 -1.00 -1.80 120.64 112.49 3gtg n GLU 49 Ca 0.03 0.05 0.11 0.00 -0.42 0.00 0.00 57.16 56.93 3gtg n GLU 49 Cb 0.23 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.51 3gtg n GLU 49 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3gtg n LEU 50 N -1.18 0.50 0.12 -4.62 0.00 0.83 -3.95 117.00 108.71 3gtg n LEU 50 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 56.01 56.02 3gtg n LEU 50 Cb 0.14 -0.04 0.05 0.00 0.00 0.00 0.00 43.42 43.58 3gtg n LEU 50 CO 0.15 0.06 0.41 0.25 0.00 0.00 0.00 177.39 178.26 3gtg h LEU 51 N 0.00 0.00 -1.99 -1.96 5.85 -0.32 -3.31 115.31 113.58 3gtg h LEU 51 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3gtg h LEU 51 Cb 0.79 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3gtg h LEU 51 CO 0.00 0.66 -0.09 0.78 -0.34 0.00 0.00 178.44 179.44 3gtg h ASN 52 N 0.00 0.00 -2.92 1.25 4.21 -1.68 -3.41 115.58 113.04 3gtg h ASN 52 Ca -0.01 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.96 3gtg h ASN 52 Cb 1.38 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.52 3gtg h ASN 52 CO 0.09 0.09 1.08 -0.62 -1.29 0.00 0.00 177.43 176.78 3gtg s ASP 53 N -6.51 6.19 0.11 5.81 2.15 -1.25 -4.89 116.67 118.29 3gtg s ASP 53 Ca -0.04 0.30 0.05 0.00 0.43 0.00 0.00 52.55 53.29 3gtg s ASP 53 Cb 0.15 -2.55 0.30 0.00 -0.30 0.00 0.00 42.92 40.52 3gtg s ASP 53 CO 0.62 -1.65 1.06 0.54 -0.17 0.00 0.00 175.17 175.57 3gtg n ARG 54 N 8.58 0.04 -1.17 4.34 1.74 -1.26 -1.97 116.66 126.95 3gtg n ARG 54 Ca 0.12 0.45 -0.21 0.00 -0.77 0.00 0.00 57.85 57.44 3gtg n ARG 54 Cb 0.49 -1.77 0.17 0.00 -1.02 0.00 0.00 32.46 30.34 3gtg n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3gtg n LYS 55 N -1.63 2.23 -4.41 5.56 4.76 -1.26 -4.90 118.16 118.51 3gtg n LYS 55 Ca -0.00 -3.10 -0.24 0.00 -2.87 0.00 0.00 58.31 52.10 3gtg n LYS 55 Cb 0.15 -2.12 -0.17 0.00 -1.84 0.00 0.00 35.03 31.06 3gtg n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gtg s VAL 56 N -3.46 1.03 -0.12 -0.18 1.01 -0.83 -3.46 120.40 114.39 3gtg s VAL 56 Ca 0.55 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 3gtg s VAL 56 Cb 0.47 -0.97 -0.12 0.00 0.00 0.00 0.00 36.38 35.75 3gtg s VAL 56 CO 0.07 0.34 0.34 -0.07 0.00 0.00 0.00 175.10 175.78 3gtg h LEU 57 N 7.21 0.00 -8.29 3.92 3.38 -1.58 -3.48 115.31 116.47 3gtg h LEU 57 Ca -0.32 -0.45 -0.29 0.00 0.09 0.00 0.00 57.88 56.91 3gtg h LEU 57 Cb 1.17 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 3gtg h LEU 57 CO 0.46 0.76 -0.73 0.12 0.09 0.00 0.00 178.44 179.14 3gtg s PHE 58 N -1.89 0.84 -0.30 1.13 5.36 0.66 -4.97 117.98 118.81 3gtg s PHE 58 Ca -0.10 -0.58 -0.16 0.00 -0.96 0.00 0.00 56.93 55.13 3gtg s PHE 58 Cb -0.01 -0.49 0.18 0.00 -0.34 0.00 0.00 43.02 42.36 3gtg s PHE 58 CO 0.33 -0.06 1.11 0.00 -1.46 0.00 0.00 175.22 175.14 3gtg s ALA 59 N -1.89 -2.60 -0.18 11.12 0.00 -1.23 -2.08 121.76 124.90 3gtg s ALA 59 Ca -0.03 2.05 -0.28 0.00 0.00 0.00 0.00 51.96 53.70 3gtg s ALA 59 Cb -0.06 -1.93 0.11 0.00 0.00 0.00 0.00 23.12 21.23 3gtg s ALA 59 CO -0.00 -0.51 0.91 0.00 0.00 0.00 0.00 175.76 176.16 3gtg s ALA 60 N 1.51 -1.89 0.31 0.00 0.00 -1.00 -5.00 121.76 115.69 3gtg s ALA 60 Ca -0.06 1.66 0.10 0.00 0.00 0.00 0.00 51.96 53.65 3gtg s ALA 60 Cb -0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 3gtg s ALA 60 CO -0.14 -0.30 -0.05 1.52 0.00 0.00 0.00 175.76 176.78 3gtg s TYR 61 N -0.61 2.50 -0.10 0.00 -0.85 -1.25 -2.09 117.35 114.94 3gtg s TYR 61 Ca -0.02 -0.36 -0.12 0.00 -0.52 0.00 0.00 57.07 56.04 3gtg s TYR 61 Cb -0.02 -1.28 0.03 0.00 0.38 0.00 0.00 41.96 41.07 3gtg s TYR 61 CO 0.01 0.58 0.33 -1.59 -1.52 0.00 0.00 175.55 173.37 3gtg s LYS 62 N -3.64 0.45 -0.91 -3.49 -2.85 -1.08 -4.95 119.74 103.27 3gtg s LYS 62 Ca 0.33 0.34 -0.09 0.00 -1.00 0.00 0.00 55.97 55.54 3gtg s LYS 62 Cb -0.03 0.21 0.23 0.00 -2.06 0.00 0.00 37.83 36.19 3gtg s LYS 62 CO 0.18 -0.07 0.84 0.14 0.10 0.00 0.00 175.35 176.54 3gtg s VAL 63 N -0.12 5.31 0.10 1.79 -7.23 -1.26 -1.36 120.40 117.63 3gtg s VAL 63 Ca -0.03 -3.06 -0.17 0.00 -1.81 0.00 0.00 61.98 56.92 3gtg s VAL 63 Cb -0.03 -4.27 -0.02 0.00 0.56 0.00 0.00 36.38 32.63 3gtg s VAL 63 CO 0.01 -1.07 0.87 -0.62 -0.31 0.00 0.00 175.10 173.98 3gtg n GLU 64 N 3.24 -0.23 -3.38 4.82 1.02 -1.26 -4.30 120.64 120.55 3gtg n GLU 64 Ca 0.17 0.86 -0.09 0.00 -0.02 0.00 0.00 57.16 58.08 3gtg n GLU 64 Cb 0.42 -1.26 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 3gtg n GLU 64 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3gtg s HIS 65 N -5.32 -0.83 -1.21 -0.32 5.04 -1.26 -5.04 115.29 106.36 3gtg s HIS 65 Ca -0.07 0.92 0.00 0.00 -1.54 0.00 0.00 55.06 54.37 3gtg s HIS 65 Cb 0.07 0.06 0.00 0.00 0.04 0.00 0.00 32.58 32.75 3gtg s HIS 65 CO 0.36 -0.69 0.54 -2.30 -2.34 0.00 0.00 174.74 170.31 3gtg n PRO 66 N 5.37 0.00 -0.11 2.88 -0.02 -1.26 -0.18 135.00 141.67 3gtg n PRO 66 Ca -0.04 0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.46 3gtg n PRO 66 Cb 0.50 -1.55 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3gtg n PRO 66 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3gtg h PHE 67 N 0.00 0.63 -3.43 6.00 0.05 -1.96 -3.43 116.94 114.81 3gtg h PHE 67 Ca 0.00 -0.11 -0.68 0.00 3.82 0.00 0.00 57.97 61.00 3gtg h PHE 67 Cb 0.09 -0.16 -0.16 0.00 2.00 0.00 0.00 35.95 37.73 3gtg h PHE 67 CO 0.00 0.71 -0.65 -0.06 -0.18 0.00 0.00 178.31 178.13 3gtg s PHE 68 N -4.95 3.08 0.05 -0.55 0.40 0.74 -5.11 117.98 111.64 3gtg s PHE 68 Ca -0.13 0.12 -0.20 0.00 -0.60 0.00 0.00 56.93 56.13 3gtg s PHE 68 Cb 0.09 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.81 3gtg s PHE 68 CO 0.77 0.43 0.57 0.00 0.70 0.00 0.00 175.22 177.69 3gtg s ALA 69 N -0.90 3.57 0.00 5.36 0.00 -1.26 -4.53 121.76 123.99 3gtg s ALA 69 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3gtg s ALA 69 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.35 3gtg s ALA 69 CO 0.04 0.34 0.00 2.89 0.00 0.00 0.00 175.76 179.03 3gtg n ARG 70 N 1.97 0.00 -4.13 0.00 1.85 -0.84 -3.56 116.66 111.95 3gtg n ARG 70 Ca -0.10 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.45 3gtg n ARG 70 Cb 0.51 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.84 3gtg n ARG 70 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3gtg s PHE 71 N 0.00 3.03 -0.14 2.89 -0.12 -1.20 -4.03 117.98 118.41 3gtg s PHE 71 Ca 0.00 -0.00 -0.04 0.00 -0.05 0.00 0.00 56.93 56.83 3gtg s PHE 71 Cb 0.00 -1.56 -0.03 0.00 -0.63 0.00 0.00 43.02 40.79 3gtg s PHE 71 CO 0.00 0.48 0.02 0.15 -0.05 0.00 0.00 175.22 175.82 3gtg s LYS 72 N -2.25 3.50 -0.16 1.99 1.02 -0.46 -2.55 119.74 120.83 3gtg s LYS 72 Ca 0.26 -0.40 -0.02 0.00 0.02 0.00 0.00 55.97 55.82 3gtg s LYS 72 Cb -0.12 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 3gtg s LYS 72 CO 0.18 0.45 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.82 3gtg s LEU 73 N -0.17 2.95 -0.18 3.17 2.96 -0.51 -2.64 118.68 124.26 3gtg s LEU 73 Ca 0.06 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3gtg s LEU 73 Cb -0.12 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.87 3gtg s LEU 73 CO 0.02 0.12 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.41 3gtg s ARG 74 N 0.64 3.15 -0.05 1.98 3.52 -0.89 -0.55 118.95 126.75 3gtg s ARG 74 Ca -0.04 -0.76 0.01 0.00 -0.13 0.00 0.00 55.73 54.80 3gtg s ARG 74 Cb -0.15 -2.66 0.02 0.00 -1.56 0.00 0.00 34.95 30.60 3gtg s ARG 74 CO 0.03 -0.11 -0.05 0.42 -0.81 0.00 0.00 175.30 174.78 3gtg s ILE 75 N 1.12 0.59 -0.02 4.11 1.01 0.24 -2.37 121.20 125.88 3gtg s ILE 75 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.57 3gtg s ILE 75 Cb -0.14 -0.61 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 3gtg s ILE 75 CO -0.06 0.24 -0.20 -1.58 0.00 0.00 0.00 174.94 173.34 3gtg s GLN 76 N 0.94 1.73 0.09 2.79 0.74 -0.88 -1.24 119.66 123.83 3gtg s GLN 76 Ca -0.11 -0.72 -0.02 0.00 0.05 0.00 0.00 55.36 54.56 3gtg s GLN 76 Cb -0.14 -1.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.30 3gtg s GLN 76 CO 0.00 0.41 0.03 0.95 -0.55 0.00 0.00 175.29 176.13 3gtg s THR 77 N -0.38 0.16 0.42 -0.34 -4.23 -1.20 -0.24 115.64 109.82 3gtg s THR 77 Ca 0.05 -1.80 -0.23 0.00 -1.18 0.00 0.00 61.69 58.54 3gtg s THR 77 Cb -0.09 -1.73 -0.13 0.00 1.34 0.00 0.00 72.50 71.90 3gtg s THR 77 CO -0.00 -0.74 0.56 0.41 -0.54 0.00 0.00 174.62 174.31 3gtg n THR 78 N 0.01 1.79 -2.15 3.99 -1.04 -1.22 -4.81 114.28 110.85 3gtg n THR 78 Ca -0.10 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.99 3gtg n THR 78 Cb 0.62 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 68.54 3gtg n THR 78 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3gtg s GLU 79 N -1.59 4.31 0.00 -2.82 2.12 -1.26 -3.51 118.70 115.96 3gtg s GLU 79 Ca 0.63 2.11 0.00 0.00 0.36 0.00 0.00 54.97 58.07 3gtg s GLU 79 Cb -0.61 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 30.56 3gtg s GLU 79 CO 0.58 -0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.27 3gtg n GLY 80 N 3.37 1.33 3.13 -1.50 0.00 -1.26 -5.08 105.19 105.17 3gtg n GLY 80 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.92 3gtg n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gtg s TYR 81 N -2.11 -1.74 0.35 1.61 5.04 -1.23 -5.15 117.35 114.13 3gtg s TYR 81 Ca 0.00 0.88 -0.28 0.00 -2.44 0.00 0.00 57.07 55.23 3gtg s TYR 81 Cb 0.00 0.26 -0.12 0.00 0.35 0.00 0.00 41.96 42.45 3gtg s TYR 81 CO 0.00 -1.09 1.24 -3.47 -1.34 0.00 0.00 175.55 170.89 3gtg n ASP 82 N 5.27 2.47 -0.09 4.32 2.03 -1.26 -4.74 116.55 124.55 3gtg n ASP 82 Ca 0.05 1.18 -0.06 0.00 0.52 0.00 0.00 54.79 56.49 3gtg n ASP 82 Cb 0.54 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 3gtg n ASP 82 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gtg h PRO 83 N 2.37 -0.10 -0.95 -0.67 0.11 -1.92 -2.86 132.00 127.99 3gtg h PRO 83 Ca -0.45 0.01 0.23 0.00 0.11 0.00 0.00 66.00 65.89 3gtg h PRO 83 Cb 1.29 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 3gtg h PRO 83 CO 0.62 -0.07 0.49 0.87 -0.21 0.00 0.00 178.00 179.70 3gtg h LYS 84 N -0.11 0.48 -0.70 1.05 1.57 -1.98 0.74 116.57 117.62 3gtg h LYS 84 Ca 0.17 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3gtg h LYS 84 Cb 0.36 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3gtg h LYS 84 CO -0.40 0.32 0.18 -0.44 -0.57 0.00 0.00 179.45 178.54 3gtg h ASP 85 N 0.50 1.06 -0.13 0.86 5.19 -1.88 1.27 116.42 123.29 3gtg h ASP 85 Ca 0.60 -0.23 -0.08 0.00 -0.62 0.00 0.00 57.03 56.70 3gtg h ASP 85 Cb 1.13 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 3gtg h ASP 85 CO -0.50 1.01 -0.16 0.00 -3.12 0.00 0.00 179.24 176.47 3gtg h ALA 86 N 1.08 1.18 0.36 3.45 0.00 -0.84 0.43 119.26 124.92 3gtg h ALA 86 Ca 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3gtg h ALA 86 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gtg h ALA 86 CO 0.00 0.52 -0.17 1.25 0.00 0.00 0.00 179.25 180.85 3gtg h LEU 87 N 0.47 -0.41 0.00 0.00 5.85 -0.57 -2.48 115.31 118.17 3gtg h LEU 87 Ca 0.08 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3gtg h LEU 87 Cb 0.56 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3gtg h LEU 87 CO 0.04 -0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.43 3gtg n LYS 88 N -5.14 0.00 -0.08 1.25 5.02 0.43 -1.74 118.16 117.89 3gtg n LYS 88 Ca -0.09 0.88 0.25 0.00 -2.02 0.00 0.00 58.31 57.33 3gtg n LYS 88 Cb 0.28 -1.47 0.72 0.00 -0.02 0.00 0.00 35.03 34.53 3gtg n LYS 88 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3gtg h ASN 89 N 0.00 0.00 0.79 4.39 2.35 -0.23 -0.51 115.58 122.37 3gtg h ASN 89 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 3gtg h ASN 89 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3gtg h ASN 89 CO 0.00 0.00 -1.23 0.00 -1.65 0.00 0.00 177.43 174.55 3gtg h ALA 90 N 1.51 0.39 -0.45 -0.83 0.00 -0.93 -3.26 119.26 115.69 3gtg h ALA 90 Ca 0.34 -1.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 3gtg h ALA 90 Cb 1.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3gtg h ALA 90 CO -0.00 1.27 -0.16 0.00 0.00 0.00 0.00 179.25 180.35 3gtg h ASN 92 N 0.73 0.03 -0.98 0.00 4.21 -1.67 -1.65 115.58 116.25 3gtg h ASN 92 Ca 0.11 0.12 0.05 0.00 1.21 0.00 0.00 56.30 57.79 3gtg h ASN 92 Cb 0.72 0.16 -0.06 0.00 -1.12 0.00 0.00 38.32 38.02 3gtg h ASN 92 CO 0.06 0.00 0.64 -1.28 -1.29 0.00 0.00 177.43 175.56 3gtg h SER 93 N 0.28 1.04 0.71 5.81 0.87 -1.47 1.20 113.55 122.00 3gtg h SER 93 Ca 0.35 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 3gtg h SER 93 Cb 0.55 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.29 3gtg h SER 93 CO -0.44 0.69 -0.34 0.40 -0.53 0.00 0.00 176.83 176.61 3gtg h ILE 94 N 1.20 0.00 -0.82 2.23 2.04 -1.20 -1.97 117.51 118.99 3gtg h ILE 94 Ca 0.41 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.35 3gtg h ILE 94 Cb 0.08 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.04 3gtg h ILE 94 CO -0.15 0.00 -0.37 -0.38 0.00 0.00 0.00 178.15 177.25 3gtg n ILE 95 N -4.64 -0.47 -0.28 -0.67 5.41 -0.64 0.31 119.36 118.37 3gtg n ILE 95 Ca -0.12 1.94 0.02 0.00 1.00 0.00 0.00 62.75 65.60 3gtg n ILE 95 Cb 0.37 -2.52 0.23 0.00 -0.71 0.00 0.00 39.64 37.01 3gtg n ILE 95 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3gtg h ASN 96 N 0.00 0.92 0.34 4.38 4.21 0.15 0.66 115.58 126.24 3gtg h ASN 96 Ca 0.24 -0.01 -0.25 0.00 1.21 0.00 0.00 56.30 57.49 3gtg h ASN 96 Cb 0.45 -0.21 0.01 0.00 -1.12 0.00 0.00 38.32 37.45 3gtg h ASN 96 CO -0.80 0.63 -1.05 0.11 -1.29 0.00 0.00 177.43 175.02 3gtg h LYS 97 N 1.06 0.44 0.11 0.81 1.57 0.49 -2.50 116.57 118.56 3gtg h LYS 97 Ca 0.35 -0.53 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3gtg h LYS 97 Cb 0.06 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3gtg h LYS 97 CO -0.11 1.19 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.83 3gtg h LEU 98 N 0.22 -0.12 0.00 2.94 3.38 0.73 0.20 115.31 122.65 3gtg h LEU 98 Ca -0.11 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3gtg h LEU 98 Cb 1.71 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3gtg h LEU 98 CO 0.19 0.32 0.00 0.61 0.09 0.00 0.00 178.44 179.65 3gtg n GLY 99 N 0.10 -0.69 0.07 0.83 0.00 0.22 -2.37 105.19 103.35 3gtg n GLY 99 Ca -0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 3gtg n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtg h ALA 100 N 2.32 0.00 -0.74 4.61 0.00 -1.20 -3.40 119.26 120.86 3gtg h ALA 100 Ca 0.00 -0.48 0.14 0.00 0.00 0.00 0.00 54.91 54.57 3gtg h ALA 100 Cb 0.11 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.24 3gtg h ALA 100 CO 0.00 0.47 -0.22 -0.11 0.00 0.00 0.00 179.25 179.40 3gtg n LEU 101 N -4.63 -0.33 -0.08 0.00 0.00 0.66 0.12 117.00 112.74 3gtg n LEU 101 Ca -0.07 1.27 -0.12 0.00 0.00 0.00 0.00 56.01 57.10 3gtg n LEU 101 Cb 0.25 -0.36 -0.08 0.00 0.00 0.00 0.00 43.42 43.23 3gtg n LEU 101 CO 0.10 -1.20 0.50 0.50 0.00 0.00 0.00 177.39 177.29 3gtg h LYS 102 N 0.00 -0.36 -0.21 1.96 3.64 -1.69 0.18 116.57 120.10 3gtg h LYS 102 Ca 0.32 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 3gtg h LYS 102 Cb 0.51 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3gtg h LYS 102 CO -0.75 -0.24 0.15 1.15 -2.27 0.00 0.00 179.45 177.49 3gtg h THR 103 N -0.37 0.90 -0.20 1.00 2.02 -0.52 0.68 112.91 116.42 3gtg h THR 103 Ca 0.05 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.06 3gtg h THR 103 Cb 0.51 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3gtg h THR 103 CO -0.45 0.00 -0.53 0.78 0.37 0.00 0.00 175.52 175.69 3gtg h ASN 104 N 0.01 0.81 0.65 4.18 2.35 -0.86 -2.88 115.58 119.84 3gtg h ASN 104 Ca 0.10 -0.58 -0.03 0.00 -0.55 0.00 0.00 56.30 55.24 3gtg h ASN 104 Cb 0.38 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.52 3gtg h ASN 104 CO -0.00 1.24 -0.31 0.15 -1.65 0.00 0.00 177.43 176.85 3gtg h PHE 105 N 0.41 -0.81 -0.36 1.19 3.57 0.13 -2.91 116.94 118.15 3gtg h PHE 105 Ca -0.01 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3gtg h PHE 105 Cb 1.14 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 40.10 3gtg h PHE 105 CO 0.09 -0.50 -0.30 0.93 -2.23 0.00 0.00 178.31 176.30 3gtg h GLU 106 N -0.89 -0.10 -1.03 1.11 4.39 -1.05 0.69 114.58 117.71 3gtg h GLU 106 Ca -0.09 0.01 0.31 0.00 0.34 0.00 0.00 59.36 59.92 3gtg h GLU 106 Cb 0.67 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.21 3gtg h GLU 106 CO 0.15 -0.07 0.61 1.79 -1.16 0.00 0.00 179.01 180.32 3gtg h THR 107 N -0.11 0.37 -0.06 1.13 1.35 -1.50 0.13 112.91 114.21 3gtg h THR 107 Ca 0.06 -0.13 -0.24 0.00 -0.55 0.00 0.00 66.41 65.55 3gtg h THR 107 Cb 0.26 -0.04 0.02 0.00 -1.73 0.00 0.00 68.15 66.65 3gtg h THR 107 CO -0.40 0.07 -0.88 -0.33 -0.25 0.00 0.00 175.52 173.73 3gtg h GLU 108 N 0.38 0.71 -0.11 4.72 4.39 -0.74 -3.13 114.58 120.80 3gtg h GLU 108 Ca 0.71 -0.68 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 3gtg h GLU 108 Cb 1.61 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 3gtg h GLU 108 CO -0.53 1.27 -0.05 2.35 -1.16 0.00 0.00 179.01 180.89 3gtg h TRP 109 N 0.40 0.16 0.00 4.33 2.91 0.92 -1.39 115.95 123.28 3gtg h TRP 109 Ca -0.09 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.92 3gtg h TRP 109 Cb 1.53 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 30.13 3gtg h TRP 109 CO 0.10 0.22 0.00 -0.91 -1.03 0.00 0.00 178.44 176.82 3gtg h ASN 110 N 0.16 0.00 0.13 2.65 2.35 -1.33 -3.16 115.58 116.37 3gtg h ASN 110 Ca 0.04 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.59 3gtg h ASN 110 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3gtg h ASN 110 CO 0.01 0.00 -0.77 -0.07 -1.65 0.00 0.00 177.43 174.95 3gtg h LEU 111 N 0.00 0.64-10.05 1.61 3.38 -1.19 -3.48 115.31 106.22 3gtg h LEU 111 Ca 0.00 -0.43 -0.45 0.00 0.09 0.00 0.00 57.88 57.08 3gtg h LEU 111 Cb 0.70 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3gtg h LEU 111 CO 0.00 1.20 0.36 -1.10 0.09 0.00 0.00 178.44 178.99 3gtg s GLN 112 N -3.63 4.09 0.27 1.13 -1.52 -1.20 -5.07 119.66 113.73 3gtg s GLN 112 Ca -0.07 1.24 -0.15 0.00 -1.95 0.00 0.00 55.36 54.43 3gtg s GLN 112 Cb 0.10 -2.20 -0.08 0.00 -0.22 0.00 0.00 33.01 30.60 3gtg s GLN 112 CO 0.86 -0.17 0.68 0.99 -0.25 0.00 0.00 175.29 177.40 3gtg s THR 113 N -2.05 4.73 0.00 -0.19 2.01 -1.26 -5.08 115.64 113.80 3gtg s THR 113 Ca 0.63 0.89 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3gtg s THR 113 Cb -0.13 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.72 3gtg s THR 113 CO 0.17 -0.05 0.00 0.18 -0.69 0.00 0.00 174.62 174.22