#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d6t n LEU 2 N 0.00 0.00 0.00 4.03 4.77 -1.26 -5.16 117.00 119.38 1d6t n LEU 2 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1d6t n LEU 2 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1d6t n LEU 2 CO 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 177.39 176.05 1d6t n LEU 3 N 0.00 0.00 0.00 2.23 -0.00 -1.26 -5.12 117.00 112.85 1d6t n LEU 3 Ca 0.00 -1.84 0.00 0.00 -0.00 0.00 0.00 56.01 54.17 1d6t n LEU 3 Cb 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 1d6t n LEU 3 CO 0.00 -0.42 0.00 1.21 -0.00 0.00 0.00 177.39 178.18 1d6t n GLU 4 N -1.17 0.00 0.00 1.47 2.13 -1.26 -4.94 120.64 116.87 1d6t n GLU 4 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1d6t n GLU 4 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 1d6t n GLU 4 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1d6t n LYS 5 N 0.00 0.00 -0.03 5.31 2.85 -1.26 -2.23 118.16 122.80 1d6t n LYS 5 Ca 0.00 0.30 0.23 0.00 -1.05 0.00 0.00 58.31 57.79 1d6t n LYS 5 Cb 0.00 -1.54 0.54 0.00 -0.65 0.00 0.00 35.03 33.38 1d6t n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d6t h ALA 6 N 1.77 2.49 -0.23 0.58 0.00 -1.98 0.42 119.26 122.31 1d6t h ALA 6 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1d6t h ALA 6 Cb 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1d6t h ALA 6 CO 0.00 -1.22 0.67 1.88 0.00 0.00 0.00 179.25 180.58 1d6t h TYR 7 N 0.00 0.00 -2.48 0.00 0.05 -1.68 -3.37 116.97 109.48 1d6t h TYR 7 Ca 0.32 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.49 1d6t h TYR 7 Cb 2.06 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 39.67 1d6t h TYR 7 CO 0.00 0.00 -0.73 -0.98 -1.05 0.00 0.00 178.16 175.40 1d6t s ARG 8 N -4.21 1.88 -0.22 4.88 1.70 0.15 0.30 118.95 123.43 1d6t s ARG 8 Ca -0.02 -1.56 -0.31 0.00 -0.47 0.00 0.00 55.73 53.37 1d6t s ARG 8 Cb 0.08 -1.95 -0.08 0.00 -0.57 0.00 0.00 34.95 32.44 1d6t s ARG 8 CO 0.28 0.37 2.16 -0.89 -1.08 0.00 0.00 175.30 176.13 1d6t n ILE 9 N -0.46 0.37 -0.34 4.99 -0.00 -1.26 -4.80 119.36 117.86 1d6t n ILE 9 Ca -0.07 -0.35 0.04 0.00 -0.00 0.00 0.00 62.75 62.37 1d6t n ILE 9 Cb 0.58 -2.24 0.20 0.00 -0.00 0.00 0.00 39.64 38.18 1d6t n ILE 9 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1d6t h LYS 10 N 13.42 0.93 -3.31 0.38 3.11 -1.90 -3.45 116.57 125.76 1d6t h LYS 10 Ca -0.39 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.36 1d6t h LYS 10 Cb 1.26 -0.21 -0.11 0.00 -1.00 0.00 0.00 32.23 32.17 1d6t h LYS 10 CO 0.97 0.62 0.01 0.21 -2.81 0.00 0.00 179.45 178.45 1d6t s LYS 11 N -6.00 1.29 0.26 1.90 2.47 -1.26 -5.01 119.74 113.38 1d6t s LYS 11 Ca -0.12 -0.80 -0.06 0.00 -1.56 0.00 0.00 55.97 53.43 1d6t s LYS 11 Cb 0.21 0.51 0.49 0.00 -1.46 0.00 0.00 37.83 37.58 1d6t s LYS 11 CO 0.80 -0.54 1.62 -0.97 0.16 0.00 0.00 175.35 176.42 1d6t h ASN 12 N 2.23 -0.39 -0.73 1.43 -0.73 -1.99 0.67 115.58 116.06 1d6t h ASN 12 Ca -0.30 0.21 0.16 0.00 1.87 0.00 0.00 56.30 58.24 1d6t h ASN 12 Cb 1.26 0.38 -0.13 0.00 0.27 0.00 0.00 38.32 40.11 1d6t h ASN 12 CO 0.40 -0.21 0.00 0.00 -0.37 0.00 0.00 177.43 177.25 1d6t h ALA 13 N 1.77 0.75 -0.08 1.57 0.00 -1.98 1.94 119.26 123.24 1d6t h ALA 13 Ca 0.45 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.60 1d6t h ALA 13 Cb 0.81 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1d6t h ALA 13 CO -0.72 -0.42 0.06 -0.44 0.00 0.00 0.00 179.25 177.73 1d6t h ASP 14 N 0.11 0.07 0.50 0.00 5.19 -0.07 0.23 116.42 122.44 1d6t h ASP 14 Ca 0.40 -0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.51 1d6t h ASP 14 Cb 0.69 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1d6t h ASP 14 CO -0.64 0.05 -1.41 0.15 -3.12 0.00 0.00 179.24 174.26 1d6t h PHE 15 N 0.08 0.54 0.24 4.55 3.04 0.31 -3.35 116.94 122.34 1d6t h PHE 15 Ca 0.03 -0.39 -0.01 0.00 3.98 0.00 0.00 57.97 61.58 1d6t h PHE 15 Cb 0.03 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1d6t h PHE 15 CO -0.00 1.37 -0.11 1.96 -2.02 0.00 0.00 178.31 179.50 1d6t h GLN 16 N 0.08 -0.31 -1.59 1.11 4.20 0.29 -2.21 115.11 116.68 1d6t h GLN 16 Ca -0.20 0.02 0.46 0.00 0.06 0.00 0.00 58.65 58.99 1d6t h GLN 16 Cb 2.02 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 29.80 1d6t h GLN 16 CO 0.19 0.02 1.33 0.00 -0.67 0.00 0.00 178.83 179.70 1d6t h ARG 17 N -0.68 0.00 0.03 1.46 3.08 -0.73 1.54 114.38 119.08 1d6t h ARG 17 Ca -0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1d6t h ARG 17 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1d6t h ARG 17 CO 0.05 0.00 -0.72 0.82 -1.07 0.00 0.00 179.97 179.05 1d6t h ILE 18 N 0.00 1.35 0.00 2.04 2.04 -1.62 -0.44 117.51 120.88 1d6t h ILE 18 Ca 0.75 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1d6t h ILE 18 Cb 3.40 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 42.35 1d6t h ILE 18 CO -0.01 0.53 0.00 -1.22 0.00 0.00 0.00 178.15 177.46 1d6t n TYR 19 N -4.40 0.14 0.00 1.37 4.02 0.48 -0.29 117.16 118.48 1d6t n TYR 19 Ca -0.20 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1d6t n TYR 19 Cb 0.65 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1d6t n TYR 19 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1d6t n LYS 20 N -1.64 0.00 -0.02 -0.72 0.00 0.14 -4.80 118.16 111.12 1d6t n LYS 20 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.33 1d6t n LYS 20 Cb 0.06 0.00 0.32 0.00 0.00 0.00 0.00 35.03 35.41 1d6t n LYS 20 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1d6t h LYS 21 N 0.00 0.58 -7.00 1.64 3.11 -1.42 -3.43 116.57 110.05 1d6t h LYS 21 Ca 0.00 -0.09 -0.54 0.00 -2.81 0.00 0.00 60.65 57.21 1d6t h LYS 21 Cb 0.00 -0.10 0.12 0.00 -1.00 0.00 0.00 32.23 31.25 1d6t h LYS 21 CO 0.00 0.52 0.66 0.20 -2.81 0.00 0.00 179.45 178.01 1d6t s GLY 22 N -3.75 2.91 0.00 5.01 0.00 0.60 -4.63 107.32 107.46 1d6t s GLY 22 Ca -0.08 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1d6t s GLY 22 CO 0.76 1.97 0.00 -2.39 0.00 0.00 0.00 173.10 173.43 1d6t n HIS 23 N -0.42 0.00 -3.62 1.90 1.44 0.63 -4.58 115.22 110.58 1d6t n HIS 23 Ca 0.07 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.72 1d6t n HIS 23 Cb 0.43 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.49 1d6t n HIS 23 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1d6t s SER 24 N -1.00 -0.19 0.00 4.39 1.04 -1.26 -3.41 113.70 113.27 1d6t s SER 24 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1d6t s SER 24 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1d6t s SER 24 CO 0.00 -0.13 0.00 1.33 0.98 0.00 0.00 173.24 175.42 1d6t n VAL 25 N 0.99 0.00 0.00 5.02 0.24 -0.94 -4.99 118.33 118.65 1d6t n VAL 25 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1d6t n VAL 25 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1d6t n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d6t n ALA 26 N -3.00 0.00 -0.83 2.33 0.00 -1.26 -4.29 120.51 113.46 1d6t n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1d6t n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1d6t n ALA 26 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1d6t n ASN 27 N 0.00 0.00 0.04 0.00 6.94 0.02 -4.88 115.26 117.37 1d6t n ASN 27 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 1d6t n ASN 27 Cb 0.00 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1d6t n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1d6t n ARG 28 N -1.49 0.00 0.00 -3.83 5.12 -1.26 -4.91 116.66 110.29 1d6t n ARG 28 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1d6t n ARG 28 Cb 0.00 -0.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 1d6t n ARG 28 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d6t n GLN 29 N -3.21 -0.16 -4.46 5.56 0.00 -1.26 -5.01 117.38 108.83 1d6t n GLN 29 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 57.00 56.53 1d6t n GLN 29 Cb 0.20 -0.65 -0.12 0.00 0.00 0.00 0.00 30.24 29.67 1d6t n GLN 29 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1d6t s PHE 30 N -0.03 2.51 -0.01 2.61 5.36 -1.26 -1.31 117.98 125.85 1d6t s PHE 30 Ca 0.00 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 1d6t s PHE 30 Cb 0.00 -1.38 -0.00 0.00 -0.34 0.00 0.00 43.02 41.30 1d6t s PHE 30 CO 0.00 0.32 -0.07 0.14 -1.46 0.00 0.00 175.22 174.16 1d6t s VAL 31 N -1.04 0.55 -0.17 3.12 -7.23 -0.59 -0.80 120.40 114.23 1d6t s VAL 31 Ca 0.16 -0.28 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 1d6t s VAL 31 Cb -0.10 -0.47 0.02 0.00 0.56 0.00 0.00 36.38 36.38 1d6t s VAL 31 CO 0.08 0.16 -0.20 0.68 -0.31 0.00 0.00 175.10 175.51 1d6t s VAL 32 N -0.04 2.04 -0.31 1.32 -7.23 -1.26 0.20 120.40 115.12 1d6t s VAL 32 Ca 0.01 -0.93 -0.16 0.00 -1.81 0.00 0.00 61.98 59.09 1d6t s VAL 32 Cb -0.04 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1d6t s VAL 32 CO -0.00 0.54 0.39 -0.31 -0.31 0.00 0.00 175.10 175.41 1d6t s TYR 33 N 1.23 3.22 0.20 2.82 1.51 0.92 -2.22 117.35 125.03 1d6t s TYR 33 Ca 0.03 0.23 0.08 0.00 -1.01 0.00 0.00 57.07 56.41 1d6t s TYR 33 Cb -0.13 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.01 1d6t s TYR 33 CO -0.11 -0.35 -0.16 0.95 -1.11 0.00 0.00 175.55 174.77 1d6t s THR 34 N 2.11 1.83 0.04 -0.71 -4.23 -1.22 0.71 115.64 114.16 1d6t s THR 34 Ca 0.15 -2.15 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 1d6t s THR 34 Cb -0.16 -2.01 -0.06 0.00 1.34 0.00 0.00 72.50 71.61 1d6t s THR 34 CO 0.11 -0.50 0.46 0.00 -0.54 0.00 0.00 174.62 174.15 1d6t s ASN 36 N -1.19 6.38 0.28 0.00 2.47 -1.26 -4.82 114.94 116.80 1d6t s ASN 36 Ca 0.27 0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.88 1d6t s ASN 36 Cb -0.17 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 1d6t s ASN 36 CO 0.16 0.18 0.00 -0.46 -3.72 0.00 0.00 177.10 173.25 1d6t n ASN 37 N 0.41 -2.14 0.00 -4.21 0.23 -1.26 -4.73 115.26 103.56 1d6t n ASN 37 Ca -0.06 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 1d6t n ASN 37 Cb 0.51 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 1d6t n ASN 37 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1d6t n LYS 38 N -0.87 0.00 -1.56 -3.83 4.81 -1.26 -4.79 118.16 110.67 1d6t n LYS 38 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1d6t n LYS 38 Cb 0.04 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.09 1d6t n LYS 38 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1d6t n GLU 39 N 0.00 -3.48 -3.95 1.64 1.02 -1.26 -5.07 120.64 109.53 1d6t n GLU 39 Ca 0.00 2.66 -0.27 0.00 -0.02 0.00 0.00 57.16 59.53 1d6t n GLU 39 Cb 0.00 -2.78 -0.00 0.00 -0.02 0.00 0.00 31.44 28.64 1d6t n GLU 39 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1d6t n ILE 40 N 1.19 0.00 0.04 -3.67 0.13 -1.26 -5.05 119.36 110.74 1d6t n ILE 40 Ca 0.00 -2.26 0.00 0.00 -1.10 0.00 0.00 62.75 59.40 1d6t n ILE 40 Cb 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 39.64 38.82 1d6t n ILE 40 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1d6t n ASP 41 N -1.79 0.57 -4.05 9.51 2.03 -1.26 -4.63 116.55 116.93 1d6t n ASP 41 Ca -0.03 -0.47 -0.16 0.00 0.52 0.00 0.00 54.79 54.65 1d6t n ASP 41 Cb 0.65 1.01 -0.13 0.00 -0.72 0.00 0.00 41.12 41.92 1d6t n ASP 41 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1d6t s HIS 42 N -1.20 0.75 -0.67 -0.67 -3.43 -1.26 -4.46 115.29 104.35 1d6t s HIS 42 Ca 0.00 -0.33 -0.13 0.00 -0.80 0.00 0.00 55.06 53.80 1d6t s HIS 42 Cb 0.01 -0.46 0.17 0.00 -1.43 0.00 0.00 32.58 30.87 1d6t s HIS 42 CO 0.04 -0.03 0.59 -0.59 -2.00 0.00 0.00 174.74 172.75 1d6t s PHE 43 N -0.85 3.52 0.28 0.38 -0.71 -1.26 -1.62 117.98 117.72 1d6t s PHE 43 Ca -0.03 -1.83 -0.30 0.00 -1.04 0.00 0.00 56.93 53.73 1d6t s PHE 43 Cb -0.07 -3.71 -0.13 0.00 -1.21 0.00 0.00 43.02 37.90 1d6t s PHE 43 CO 0.00 -0.99 1.33 0.54 -1.34 0.00 0.00 175.22 174.77 1d6t n ARG 44 N 4.45 2.02 -3.89 1.99 1.74 -1.23 -4.53 116.66 117.20 1d6t n ARG 44 Ca 0.02 0.71 -0.32 0.00 -0.77 0.00 0.00 57.85 57.49 1d6t n ARG 44 Cb 0.43 -2.32 -0.13 0.00 -1.02 0.00 0.00 32.46 29.42 1d6t n ARG 44 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1d6t s LEU 45 N -0.30 4.54 -0.11 0.55 1.43 0.89 -1.44 118.68 124.23 1d6t s LEU 45 Ca 0.63 -2.99 -0.00 0.00 -1.03 0.00 0.00 54.13 50.74 1d6t s LEU 45 Cb -0.62 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 1d6t s LEU 45 CO 0.55 -0.26 -0.11 -0.83 0.23 0.00 0.00 176.35 175.93 1d6t s GLY 46 N -0.07 1.60 -0.16 -3.19 0.00 -1.07 -4.69 107.32 99.74 1d6t s GLY 46 Ca 0.17 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 1d6t s GLY 46 CO -0.01 -0.33 -0.11 -0.42 0.00 0.00 0.00 173.10 172.23 1d6t s ILE 47 N 0.01 3.08 0.18 0.90 1.09 -1.26 -1.20 121.20 124.01 1d6t s ILE 47 Ca -0.03 -0.63 0.10 0.00 -1.10 0.00 0.00 60.65 58.98 1d6t s ILE 47 Cb -0.14 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 1d6t s ILE 47 CO 0.04 0.50 -0.13 -0.44 -0.10 0.00 0.00 174.94 174.81 1d6t s SER 48 N 0.69 4.04 0.03 3.58 0.01 -0.76 -5.01 113.70 116.28 1d6t s SER 48 Ca -0.06 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.55 1d6t s SER 48 Cb -0.15 -0.60 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 1d6t s SER 48 CO 0.02 0.11 -0.04 -0.69 0.41 0.00 0.00 173.24 173.04 1d6t s VAL 49 N -1.70 0.26 0.46 3.43 1.01 -1.26 -2.80 120.40 119.79 1d6t s VAL 49 Ca 0.24 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1d6t s VAL 49 Cb -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1d6t s VAL 49 CO 0.14 -0.54 0.68 -0.55 0.00 0.00 0.00 175.10 174.83 1d6t s SER 50 N -1.72 5.76 0.00 3.32 0.15 -1.26 -4.99 113.70 114.96 1d6t s SER 50 Ca -0.11 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.02 1d6t s SER 50 Cb -0.07 -1.42 0.60 0.00 -1.71 0.00 0.00 66.02 63.42 1d6t s SER 50 CO -0.02 -0.76 1.49 2.29 1.20 0.00 0.00 173.24 177.45 1d6t n LYS 51 N -2.10 2.02 -0.01 5.44 2.85 -1.26 -3.77 118.16 121.33 1d6t n LYS 51 Ca 0.02 -1.49 0.09 0.00 -1.05 0.00 0.00 58.31 55.88 1d6t n LYS 51 Cb 0.58 -1.47 -0.14 0.00 -0.65 0.00 0.00 35.03 33.36 1d6t n LYS 51 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1d6t n LYS 52 N 0.80 0.53 0.00 -1.58 4.76 -1.26 -4.65 118.16 116.76 1d6t n LYS 52 Ca 0.17 -0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1d6t n LYS 52 Cb 0.48 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1d6t n LYS 52 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1d6t n LEU 53 N -2.10 0.00 0.00 -0.35 0.00 -1.25 -4.97 117.00 108.33 1d6t n LEU 53 Ca -0.03 0.82 0.00 0.00 0.00 0.00 0.00 56.01 56.80 1d6t n LEU 53 Cb 0.45 -0.32 0.00 0.00 0.00 0.00 0.00 43.42 43.55 1d6t n LEU 53 CO 0.37 -0.32 0.00 0.61 0.00 0.00 0.00 177.39 178.05 1d6t n GLY 54 N -0.98 -0.82 0.00 -3.96 0.00 -1.26 -4.71 105.19 93.46 1d6t n GLY 54 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1d6t n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d6t n ASN 55 N 0.00 0.00 0.02 1.61 3.02 -1.26 -5.03 115.26 113.62 1d6t n ASN 55 Ca 0.00 -0.72 0.07 0.00 -0.03 0.00 0.00 54.58 53.90 1d6t n ASN 55 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1d6t n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d6t n ALA 56 N -3.00 2.43 0.19 5.41 0.00 -1.26 -3.76 120.51 120.52 1d6t n ALA 56 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 52.95 1d6t n ALA 56 Cb 0.00 -0.83 0.44 0.00 0.00 0.00 0.00 19.45 19.07 1d6t n ALA 56 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1d6t h VAL 57 N 0.00 1.17 0.09 0.00 3.04 -1.99 -0.42 116.25 118.15 1d6t h VAL 57 Ca -0.09 -0.81 -0.26 0.00 -1.01 0.00 0.00 66.70 64.54 1d6t h VAL 57 Cb 1.24 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 1d6t h VAL 57 CO 0.01 0.24 -1.17 0.17 -1.01 0.00 0.00 177.57 175.80 1d6t h LEU 58 N 0.05 0.30 -0.10 3.16 8.10 -1.93 -2.97 115.31 121.92 1d6t h LEU 58 Ca 0.01 -0.33 0.00 0.00 0.11 0.00 0.00 57.88 57.67 1d6t h LEU 58 Cb 0.41 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1d6t h LEU 58 CO 0.03 1.25 0.00 -2.11 -4.11 0.00 0.00 178.44 173.50 1d6t n ARG 59 N -3.48 0.06 0.01 0.17 -4.01 -0.74 -1.64 116.66 107.04 1d6t n ARG 59 Ca -0.06 0.18 -0.17 0.00 -1.04 0.00 0.00 57.85 56.76 1d6t n ARG 59 Cb 1.00 -1.59 -0.14 0.00 -3.04 0.00 0.00 32.46 28.69 1d6t n ARG 59 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1d6t h ASN 60 N 0.00 0.31 1.16 2.89 2.35 -1.02 -2.72 115.58 118.55 1d6t h ASN 60 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 1d6t h ASN 60 Cb 0.43 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1d6t h ASN 60 CO 0.00 1.53 -0.13 1.17 -1.65 0.00 0.00 177.43 178.35 1d6t n LYS 61 N -3.36 0.17 -0.02 0.81 4.81 -1.10 0.25 118.16 119.72 1d6t n LYS 61 Ca -0.24 0.11 -0.14 0.00 -0.87 0.00 0.00 58.31 57.18 1d6t n LYS 61 Cb 1.05 -1.67 -0.14 0.00 0.02 0.00 0.00 35.03 34.29 1d6t n LYS 61 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1d6t n ILE 62 N -1.95 1.67 -0.10 3.15 5.41 -0.65 -3.36 119.36 123.53 1d6t n ILE 62 Ca 0.06 -0.74 -0.20 0.00 1.00 0.00 0.00 62.75 62.86 1d6t n ILE 62 Cb 0.40 -1.29 -0.11 0.00 -0.71 0.00 0.00 39.64 37.93 1d6t n ILE 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1d6t h LYS 63 N 0.03 0.00 0.00 0.38 3.11 -1.47 -3.24 116.57 115.37 1d6t h LYS 63 Ca -0.35 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.49 1d6t h LYS 63 Cb 2.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.26 1d6t h LYS 63 CO 0.08 0.92 0.08 0.07 -2.81 0.00 0.00 179.45 177.79 1d6t h ARG 64 N -1.00 0.00 0.00 1.90 -0.00 -0.42 0.25 114.38 115.11 1d6t h ARG 64 Ca -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.67 1d6t h ARG 64 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.20 1d6t h ARG 64 CO -0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 179.97 179.78 1d6t h ALA 65 N 1.82 -0.01 -0.36 0.08 0.00 -1.67 -2.80 119.26 116.32 1d6t h ALA 65 Ca 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1d6t h ALA 65 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1d6t h ALA 65 CO 0.00 -0.02 -0.08 0.97 0.00 0.00 0.00 179.25 180.12 1d6t h ILE 66 N -0.97 1.24 0.00 0.00 -0.00 -1.23 -0.62 117.51 115.92 1d6t h ILE 66 Ca -0.00 -1.02 0.00 0.00 -0.00 0.00 0.00 64.86 63.84 1d6t h ILE 66 Cb 0.87 1.05 0.00 0.00 -0.00 0.00 0.00 36.82 38.73 1d6t h ILE 66 CO 0.00 0.34 0.00 -2.11 -0.00 0.00 0.00 178.15 176.38 1d6t n ARG 67 N -4.20 0.19 -0.04 2.19 -4.01 0.74 -1.73 116.66 109.79 1d6t n ARG 67 Ca 0.01 0.12 -0.22 0.00 -1.04 0.00 0.00 57.85 56.73 1d6t n ARG 67 Cb 0.32 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 28.11 1d6t n ARG 67 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1d6t n GLU 68 N -1.36 0.69 0.16 2.89 2.13 -0.28 -3.71 120.64 121.15 1d6t n GLU 68 Ca 0.08 0.34 -0.10 0.00 0.66 0.00 0.00 57.16 58.14 1d6t n GLU 68 Cb 0.18 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.14 1d6t n GLU 68 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1d6t h ASN 69 N -0.27 -0.39 0.00 4.31 -1.24 -1.29 -2.96 115.58 113.73 1d6t h ASN 69 Ca -0.43 -0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.46 1d6t h ASN 69 Cb 1.81 0.10 0.00 0.00 0.73 0.00 0.00 38.32 40.96 1d6t h ASN 69 CO -0.03 0.06 0.35 -0.26 -1.29 0.00 0.00 177.43 176.27 1d6t h PHE 70 N -1.02 0.00 0.00 0.67 -1.00 -1.56 1.55 116.94 115.59 1d6t h PHE 70 Ca -0.05 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.53 1d6t h PHE 70 Cb 0.49 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 1d6t h PHE 70 CO 0.03 0.00 -0.95 -0.22 -1.61 0.00 0.00 178.31 175.56 1d6t h LYS 71 N 0.00 0.00 0.05 1.51 1.63 -1.60 -1.20 116.57 116.96 1d6t h LYS 71 Ca 0.00 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.42 1d6t h LYS 71 Cb 0.70 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.28 1d6t h LYS 71 CO 0.00 0.95 -2.22 1.55 -3.45 0.00 0.00 179.45 176.28 1d6t n VAL 72 N -3.39 1.62 1.83 2.00 3.14 0.47 -4.04 118.33 119.96 1d6t n VAL 72 Ca -0.00 -0.56 0.06 0.00 -2.96 0.00 0.00 64.34 60.87 1d6t n VAL 72 Cb 0.90 -1.62 0.30 0.00 -1.06 0.00 0.00 33.84 32.36 1d6t n VAL 72 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1d6t n HIS 73 N -3.48 0.06 -0.34 1.45 8.25 0.19 -3.90 115.22 117.45 1d6t n HIS 73 Ca -0.40 -0.03 0.19 0.00 -0.26 0.00 0.00 57.72 57.22 1d6t n HIS 73 Cb 0.99 0.00 0.42 0.00 1.12 0.00 0.00 29.99 32.52 1d6t n HIS 73 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1d6t h LYS 74 N 0.38 0.52 0.00 -0.41 3.64 -1.35 2.03 116.57 121.38 1d6t h LYS 74 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1d6t h LYS 74 Cb 0.09 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1d6t h LYS 74 CO 0.00 0.34 -0.03 0.77 -2.27 0.00 0.00 179.45 178.26 1d6t h SER 75 N 0.54 0.00 1.17 4.20 0.02 -1.86 -3.06 113.55 114.56 1d6t h SER 75 Ca 0.62 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.55 1d6t h SER 75 Cb 1.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 1d6t h SER 75 CO -0.40 0.00 -0.83 0.45 -1.14 0.00 0.00 176.83 174.91 1d6t h HIS 76 N 0.00 0.00 -4.46 3.45 3.86 0.24 -3.47 115.15 114.77 1d6t h HIS 76 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 1d6t h HIS 76 Cb 0.92 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.47 1d6t h HIS 76 CO 0.00 0.06 0.41 0.42 0.86 0.00 0.00 177.93 179.68 1d6t s ILE 77 N -3.29 3.59 0.02 2.45 1.09 0.37 -1.83 121.20 123.60 1d6t s ILE 77 Ca 0.01 0.52 -0.09 0.00 -1.10 0.00 0.00 60.65 59.98 1d6t s ILE 77 Cb 0.09 -3.50 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 1d6t s ILE 77 CO 0.77 -0.68 0.19 -1.48 -0.10 0.00 0.00 174.94 173.64 1d6t s LEU 78 N -5.36 1.38 0.03 2.97 -0.00 -1.22 -4.69 118.68 111.78 1d6t s LEU 78 Ca 0.58 -0.27 -0.36 0.00 -0.00 0.00 0.00 54.13 54.08 1d6t s LEU 78 Cb -0.11 0.89 -0.19 0.00 -0.00 0.00 0.00 46.19 46.78 1d6t s LEU 78 CO 0.52 -0.48 0.94 0.00 -0.00 0.00 0.00 176.35 177.33 1d6t n ALA 79 N 1.00 -3.39 0.00 1.48 0.00 -1.26 -4.45 120.51 113.88 1d6t n ALA 79 Ca -0.20 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1d6t n ALA 79 Cb 0.57 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1d6t n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1d6t n LYS 80 N 1.35 0.00 -1.52 0.00 5.02 -0.64 -4.65 118.16 117.72 1d6t n LYS 80 Ca 0.19 0.00 -0.57 0.00 -2.02 0.00 0.00 58.31 55.90 1d6t n LYS 80 Cb 0.10 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.03 1d6t n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1d6t n ASP 81 N 0.00 0.30 -3.91 4.39 8.00 -1.23 -4.04 116.55 120.05 1d6t n ASP 81 Ca 0.00 1.15 -0.10 0.00 0.71 0.00 0.00 54.79 56.55 1d6t n ASP 81 Cb 0.00 -0.98 -0.10 0.00 -0.02 0.00 0.00 41.12 40.02 1d6t n ASP 81 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1d6t s ILE 82 N 0.07 0.09 -0.23 0.53 -1.16 -0.52 -2.54 121.20 117.44 1d6t s ILE 82 Ca 0.89 -0.76 -0.06 0.00 -0.51 0.00 0.00 60.65 60.21 1d6t s ILE 82 Cb -1.20 -0.37 0.11 0.00 0.61 0.00 0.00 42.46 41.61 1d6t s ILE 82 CO 0.55 -0.42 0.45 -0.63 -2.81 0.00 0.00 174.94 172.08 1d6t s ILE 83 N -1.41 -0.70 -0.14 2.00 1.01 0.22 -2.60 121.20 119.59 1d6t s ILE 83 Ca -0.15 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 1d6t s ILE 83 Cb -0.08 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 1d6t s ILE 83 CO 0.01 0.01 0.35 0.68 0.00 0.00 0.00 174.94 175.99 1d6t s VAL 84 N 2.64 5.26 0.18 2.92 -7.23 -0.34 0.31 120.40 124.15 1d6t s VAL 84 Ca 0.04 0.69 0.11 0.00 -1.81 0.00 0.00 61.98 61.00 1d6t s VAL 84 Cb -0.13 -3.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 1d6t s VAL 84 CO -0.15 0.39 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.16 1d6t s ILE 85 N 0.39 2.38 -0.41 -0.62 -1.09 0.54 -1.83 121.20 120.56 1d6t s ILE 85 Ca 0.20 -1.98 -0.09 0.00 -2.23 0.00 0.00 60.65 56.54 1d6t s ILE 85 Cb -0.14 -2.13 0.07 0.00 -1.58 0.00 0.00 42.46 38.68 1d6t s ILE 85 CO 0.06 -0.09 0.24 0.00 -1.23 0.00 0.00 174.94 173.92 1d6t s ALA 86 N -1.60 3.27 0.70 9.38 0.00 -1.12 -1.55 121.76 130.84 1d6t s ALA 86 Ca 0.20 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1d6t s ALA 86 Cb -0.08 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.42 1d6t s ALA 86 CO 0.10 -1.58 0.00 0.54 0.00 0.00 0.00 175.76 174.81 1d6t n ARG 87 N 4.92 -0.42 -0.02 0.00 1.74 -0.43 -4.08 116.66 118.37 1d6t n ARG 87 Ca -0.11 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.82 1d6t n ARG 87 Cb 0.44 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.77 1d6t n ARG 87 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1d6t h GLN 88 N 0.00 0.24 0.00 5.56 4.20 -1.97 -3.10 115.11 120.04 1d6t h GLN 88 Ca 0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 1d6t h GLN 88 Cb 0.00 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1d6t h GLN 88 CO 0.00 0.93 0.00 -0.35 -0.67 0.00 0.00 178.83 178.74 1d6t n PRO 89 N -4.45 0.75 0.00 1.46 -0.04 -1.26 -2.31 135.00 129.15 1d6t n PRO 89 Ca -0.09 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1d6t n PRO 89 Cb 0.52 -1.17 0.45 0.00 -0.04 0.00 0.00 33.50 33.26 1d6t n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d6t n ALA 90 N -0.67 2.88 0.07 0.55 0.00 -1.17 -3.68 120.51 118.49 1d6t n ALA 90 Ca 0.06 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 1d6t n ALA 90 Cb 0.03 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1d6t n ALA 90 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1d6t h LYS 91 N 1.57 0.31 -0.76 0.00 5.09 -1.63 -2.92 116.57 118.23 1d6t h LYS 91 Ca 0.00 -0.32 -0.09 0.00 0.09 0.00 0.00 60.65 60.33 1d6t h LYS 91 Cb 0.49 0.09 -0.05 0.00 0.10 0.00 0.00 32.23 32.86 1d6t h LYS 91 CO 0.00 1.01 0.11 -3.47 -2.09 0.00 0.00 179.45 175.01 1d6t n ASP 92 N -3.73 4.26 -4.94 7.07 -0.08 -1.24 -4.91 116.55 112.98 1d6t n ASP 92 Ca -0.05 -2.79 -0.25 0.00 -1.51 0.00 0.00 54.79 50.19 1d6t n ASP 92 Cb 0.80 -0.66 -0.03 0.00 2.34 0.00 0.00 41.12 43.57 1d6t n ASP 92 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 1d6t s MET 93 N -2.31 3.49 0.12 -0.67 1.75 -1.11 -5.11 119.30 115.46 1d6t s MET 93 Ca 0.40 -0.47 0.10 0.00 -1.25 0.00 0.00 55.69 54.48 1d6t s MET 93 Cb 0.31 -2.84 -0.04 0.00 2.84 0.00 0.00 34.83 35.11 1d6t s MET 93 CO 0.11 0.38 -0.22 0.95 -0.65 0.00 0.00 175.02 175.59 1d6t s THR 94 N -1.95 2.57 0.63 10.11 -4.23 -1.26 -4.96 115.64 116.55 1d6t s THR 94 Ca 0.37 -1.63 0.23 0.00 -1.18 0.00 0.00 61.69 59.48 1d6t s THR 94 Cb -0.10 -2.16 0.29 0.00 1.34 0.00 0.00 72.50 71.86 1d6t s THR 94 CO 0.30 0.09 1.60 0.74 -0.54 0.00 0.00 174.62 176.81 1d6t h THR 95 N 3.68 0.11 -0.32 3.99 2.02 -1.99 1.45 112.91 121.86 1d6t h THR 95 Ca -0.50 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.51 1d6t h THR 95 Cb 1.17 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1d6t h THR 95 CO 0.43 0.00 -0.46 0.25 0.37 0.00 0.00 175.52 176.11 1d6t h LEU 96 N 0.00 0.95 0.00 2.58 7.12 -1.94 -0.86 115.31 123.17 1d6t h LEU 96 Ca 0.18 -0.51 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1d6t h LEU 96 Cb 1.59 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 41.45 1d6t h LEU 96 CO -0.00 1.27 -0.16 0.00 -0.13 0.00 0.00 178.44 179.42 1d6t n GLN 97 N -4.07 0.04 0.01 1.25 6.02 0.48 -2.83 117.38 118.29 1d6t n GLN 97 Ca -0.04 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.77 1d6t n GLN 97 Cb 0.58 -1.54 -0.14 0.00 1.02 0.00 0.00 30.24 30.16 1d6t n GLN 97 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1d6t h ILE 98 N 0.00 1.12 0.00 5.09 2.04 -0.75 -2.85 117.51 122.16 1d6t h ILE 98 Ca 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.44 1d6t h ILE 98 Cb 0.53 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1d6t h ILE 98 CO 0.00 0.70 0.00 0.00 0.00 0.00 0.00 178.15 178.85 1d6t n GLN 99 N -3.97 0.01 0.00 2.37 10.64 -0.35 -2.07 117.38 124.00 1d6t n GLN 99 Ca -0.23 0.13 0.10 0.00 -1.83 0.00 0.00 57.00 55.17 1d6t n GLN 99 Cb 0.88 -1.51 -0.09 0.00 -0.86 0.00 0.00 30.24 28.66 1d6t n GLN 99 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1d6t n ASN 100 N -1.52 0.76 -0.04 2.61 3.02 -1.13 -4.24 115.26 114.73 1d6t n ASN 100 Ca 0.05 -0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 53.68 1d6t n ASN 100 Cb 0.26 1.11 -0.13 0.00 -0.61 0.00 0.00 39.78 40.41 1d6t n ASN 100 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1d6t h SER 101 N 0.00 0.23 -0.83 6.41 0.02 -1.16 -3.36 113.55 114.86 1d6t h SER 101 Ca 0.00 -0.76 0.20 0.00 -0.84 0.00 0.00 61.79 60.39 1d6t h SER 101 Cb 0.61 -0.08 -0.12 0.00 0.14 0.00 0.00 62.40 62.95 1d6t h SER 101 CO 0.00 1.61 0.26 -0.07 -1.14 0.00 0.00 176.83 177.49 1d6t h LEU 102 N -0.50 0.11 -1.88 5.07 4.07 -1.66 1.94 115.31 122.46 1d6t h LEU 102 Ca -0.34 0.16 0.06 0.00 0.08 0.00 0.00 57.88 57.84 1d6t h LEU 102 Cb 1.63 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.55 1d6t h LEU 102 CO -0.04 -0.05 0.43 1.05 -1.08 0.00 0.00 178.44 178.75 1d6t h GLU 103 N 0.30 0.00 0.00 1.13 4.11 -1.74 0.10 114.58 118.48 1d6t h GLU 103 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 1d6t h GLU 103 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1d6t h GLU 103 CO -0.55 0.00 0.00 1.58 0.07 0.00 0.00 179.01 180.11 1d6t n HIS 104 N -3.24 0.00 -0.35 2.06 -0.00 0.50 -4.12 115.22 110.07 1d6t n HIS 104 Ca 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.76 1d6t n HIS 104 Cb 0.54 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.60 1d6t n HIS 104 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1d6t n VAL 105 N -1.89 -0.46 -0.18 3.57 3.14 0.54 0.19 118.33 123.24 1d6t n VAL 105 Ca 0.00 2.18 -0.08 0.00 -2.96 0.00 0.00 64.34 63.48 1d6t n VAL 105 Cb 0.00 -2.93 0.01 0.00 -1.06 0.00 0.00 33.84 29.86 1d6t n VAL 105 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1d6t h LEU 106 N 0.00 0.72 -1.63 6.55 8.10 -1.06 -1.75 115.31 126.24 1d6t h LEU 106 Ca 0.37 -0.19 0.28 0.00 0.11 0.00 0.00 57.88 58.44 1d6t h LEU 106 Cb 0.60 -0.19 -0.07 0.00 -0.44 0.00 0.00 40.66 40.56 1d6t h LEU 106 CO -0.94 0.72 0.71 0.07 -4.11 0.00 0.00 178.44 174.89 1d6t h LYS 107 N 0.68 0.23 0.04 0.17 2.10 0.29 1.20 116.57 121.26 1d6t h LYS 107 Ca 0.16 -0.01 -0.22 0.00 -2.00 0.00 0.00 60.65 58.58 1d6t h LYS 107 Cb 0.25 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.52 1d6t h LYS 107 CO -0.01 0.15 -1.00 0.82 -2.00 0.00 0.00 179.45 177.42 1d6t h ILE 108 N 0.24 1.50 -0.83 0.07 2.04 0.11 -3.12 117.51 117.52 1d6t h ILE 108 Ca 0.55 -2.79 0.20 0.00 1.00 0.00 0.00 64.86 63.82 1d6t h ILE 108 Cb 1.70 2.62 -0.05 0.00 -0.74 0.00 0.00 36.82 40.36 1d6t h ILE 108 CO -0.17 0.81 0.56 0.00 0.00 0.00 0.00 178.15 179.36 1d6t h ALA 109 N 0.83 2.39 0.00 1.87 0.00 0.21 -3.45 119.26 121.12 1d6t h ALA 109 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d6t h ALA 109 Cb 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1d6t h ALA 109 CO 0.16 -0.64 0.00 1.17 0.00 0.00 0.00 179.25 179.94 1d6t n LYS 110 N -4.43 0.00 -0.88 0.00 4.81 -0.94 -4.74 118.16 111.99 1d6t n LYS 110 Ca 0.17 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.77 1d6t n LYS 110 Cb 0.73 -2.86 0.17 0.00 0.02 0.00 0.00 35.03 33.09 1d6t n LYS 110 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1d6t n VAL 111 N -2.76 2.55 -3.93 3.15 0.24 -1.25 -4.76 118.33 111.56 1d6t n VAL 111 Ca 0.00 -1.36 -0.31 0.00 -2.04 0.00 0.00 64.34 60.63 1d6t n VAL 111 Cb 0.00 -0.55 -0.15 0.00 -1.47 0.00 0.00 33.84 31.67 1d6t n VAL 111 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1d6t s PHE 112 N -2.45 2.73 -0.08 6.34 0.08 -1.26 -3.46 117.98 119.88 1d6t s PHE 112 Ca 0.43 -2.18 -0.27 0.00 0.12 0.00 0.00 56.93 55.03 1d6t s PHE 112 Cb 0.35 -2.05 -0.23 0.00 -0.57 0.00 0.00 43.02 40.53 1d6t s PHE 112 CO 0.09 -0.86 0.99 -2.95 -0.10 0.00 0.00 175.22 172.39 1d6t h ASN 113 N 7.86 -0.01 1.78 1.36 -1.07 -1.64 -3.24 115.58 120.63 1d6t h ASN 113 Ca -0.13 -0.74 -0.02 0.00 0.07 0.00 0.00 56.30 55.48 1d6t h ASN 113 Cb 1.04 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.29 1d6t h ASN 113 CO 0.46 0.75 -0.09 0.50 0.07 0.00 0.00 177.43 179.11 1d6t h LYS 114 N -0.77 0.00 -7.06 4.14 3.64 -1.90 -3.47 116.57 111.14 1d6t h LYS 114 Ca -0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 1d6t h LYS 114 Cb 0.75 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.38 1d6t h LYS 114 CO 0.00 0.09 -0.97 0.36 -2.27 0.00 0.00 179.45 176.67 1d6t n LYS 115 N -3.13 -0.86 -1.37 1.90 2.85 -1.23 -4.73 118.16 111.59 1d6t n LYS 115 Ca 0.03 0.08 -0.42 0.00 -1.05 0.00 0.00 58.31 56.96 1d6t n LYS 115 Cb 0.54 -3.43 0.00 0.00 -0.65 0.00 0.00 35.03 31.49 1d6t n LYS 115 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1d6t n ILE 116 N -4.62 1.21 -0.06 0.58 2.08 -1.26 -5.15 119.36 112.14 1d6t n ILE 116 Ca -0.30 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.51 1d6t n ILE 116 Cb 0.68 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 39.32 1d6t n ILE 116 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28