#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m s VAL 2 N 0.00 3.90 0.04 1.12 -7.23 -1.26 -2.82 120.40 114.15 3i1m s VAL 2 Ca 0.00 1.91 0.03 0.00 -1.81 0.00 0.00 61.98 62.11 3i1m s VAL 2 Cb 0.00 -4.22 -0.02 0.00 0.56 0.00 0.00 36.38 32.70 3i1m s VAL 2 CO 0.00 0.45 -0.10 -0.89 -0.31 0.00 0.00 175.10 174.26 3i1m s THR 3 N -1.16 0.74 -0.41 5.32 2.01 -0.63 -1.53 115.64 119.97 3i1m s THR 3 Ca 0.42 -0.97 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 3i1m s THR 3 Cb -0.28 -0.73 0.08 0.00 0.01 0.00 0.00 72.50 71.58 3i1m s THR 3 CO 0.35 -0.20 0.24 -0.63 -0.69 0.00 0.00 174.62 173.69 3i1m s ILE 4 N -1.06 4.15 0.32 1.82 1.01 -0.87 -0.55 121.20 126.02 3i1m s ILE 4 Ca -0.04 -1.41 0.04 0.00 0.00 0.00 0.00 60.65 59.24 3i1m s ILE 4 Cb -0.08 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3i1m s ILE 4 CO 0.01 -0.49 0.18 0.00 0.00 0.00 0.00 174.94 174.64 3i1m s ARG 5 N 1.41 1.67 -0.26 2.79 1.70 0.22 -2.45 118.95 124.03 3i1m s ARG 5 Ca 0.03 -1.97 -0.18 0.00 -0.47 0.00 0.00 55.73 53.14 3i1m s ARG 5 Cb -0.23 -0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.04 3i1m s ARG 5 CO 0.02 -0.49 0.50 -0.51 -1.08 0.00 0.00 175.30 173.74 3i1m s LEU 6 N -3.41 4.06 -0.21 -1.89 1.02 -1.26 -0.71 118.68 116.28 3i1m s LEU 6 Ca 0.35 0.51 -0.09 0.00 0.02 0.00 0.00 54.13 54.92 3i1m s LEU 6 Cb 0.04 -2.65 -0.05 0.00 0.02 0.00 0.00 46.19 43.56 3i1m s LEU 6 CO 0.19 -0.27 0.11 0.00 0.02 0.00 0.00 176.35 176.40 3i1m s ALA 7 N 2.25 3.52 0.00 4.21 0.00 -0.57 -4.87 121.76 126.31 3i1m s ALA 7 Ca 0.21 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 3i1m s ALA 7 Cb -0.16 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3i1m s ALA 7 CO 0.09 0.01 0.86 0.50 0.00 0.00 0.00 175.76 177.22 3i1m s ARG 8 N 0.67 4.53 0.00 0.00 3.52 -1.26 0.12 118.95 126.53 3i1m s ARG 8 Ca 0.06 1.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.86 3i1m s ARG 8 Cb -0.13 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 3i1m s ARG 8 CO 0.01 0.08 0.29 0.72 -0.81 0.00 0.00 175.30 175.59 3i1m n HIS 9 N 3.53 0.00 0.00 5.12 8.25 -0.77 -4.95 115.22 126.40 3i1m n HIS 9 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3i1m n HIS 9 Cb 0.51 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3i1m n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1m n GLY 10 N 0.00 -1.86 0.00 -1.41 0.00 -1.15 -4.68 105.19 96.08 3i1m n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1m n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m n ALA 11 N -3.00 0.00 -1.65 4.61 0.00 -1.17 -4.77 120.51 114.54 3i1m n ALA 11 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 53.44 52.78 3i1m n ALA 11 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3i1m n ALA 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1m n LYS 12 N -1.03 0.08 0.00 0.00 4.81 -1.26 -0.08 118.16 120.68 3i1m n LYS 12 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3i1m n LYS 12 Cb 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.51 3i1m n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3i1m n LYS 13 N 4.79 0.00 -3.33 1.64 4.76 -1.26 -4.85 118.16 119.90 3i1m n LYS 13 Ca 0.35 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.54 3i1m n LYS 13 Cb -0.04 -0.87 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 3i1m n LYS 13 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1m n ARG 14 N -2.00 1.89 -0.48 1.97 1.74 0.89 -5.12 116.66 115.54 3i1m n ARG 14 Ca 0.00 -4.16 -0.28 0.00 -0.77 0.00 0.00 57.85 52.64 3i1m n ARG 14 Cb 0.00 -1.88 0.23 0.00 -1.02 0.00 0.00 32.46 29.78 3i1m n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3i1m n PRO 15 N 1.03 -2.77 -3.15 5.56 -0.04 -1.23 -3.03 135.00 131.37 3i1m n PRO 15 Ca 0.27 -0.80 0.05 0.00 -0.04 0.00 0.00 63.50 62.98 3i1m n PRO 15 Cb 0.45 -1.85 -0.00 0.00 -0.04 0.00 0.00 33.50 32.06 3i1m n PRO 15 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3i1m s PHE 16 N -2.23 -0.88 0.37 0.54 2.19 -1.26 -4.55 117.98 112.16 3i1m s PHE 16 Ca 0.59 0.52 -0.17 0.00 0.33 0.00 0.00 56.93 58.21 3i1m s PHE 16 Cb -0.15 0.15 -0.10 0.00 -1.31 0.00 0.00 43.02 41.62 3i1m s PHE 16 CO 0.59 -0.51 0.81 0.71 1.83 0.00 0.00 175.22 178.65 3i1m s TYR 17 N 2.92 3.36 -0.30 10.12 1.51 -0.64 -1.84 117.35 132.48 3i1m s TYR 17 Ca 0.22 1.35 0.03 0.00 -1.01 0.00 0.00 57.07 57.66 3i1m s TYR 17 Cb -0.04 -2.64 0.08 0.00 -0.11 0.00 0.00 41.96 39.25 3i1m s TYR 17 CO -0.24 0.00 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.05 3i1m s GLN 18 N -3.12 1.75 0.04 -0.62 2.00 0.12 -0.45 119.66 119.39 3i1m s GLN 18 Ca 0.57 -1.56 -0.30 0.00 -2.00 0.00 0.00 55.36 52.06 3i1m s GLN 18 Cb -0.10 -2.98 -0.07 0.00 0.80 0.00 0.00 33.01 30.67 3i1m s GLN 18 CO 0.17 -0.77 1.46 0.54 -0.50 0.00 0.00 175.29 176.19 3i1m s VAL 19 N 1.05 3.48 0.05 1.34 0.11 -1.01 -1.51 120.40 123.91 3i1m s VAL 19 Ca 0.02 0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 59.90 3i1m s VAL 19 Cb -0.19 -3.60 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 3i1m s VAL 19 CO -0.07 0.01 0.20 0.54 -3.33 0.00 0.00 175.10 172.44 3i1m s VAL 20 N 2.22 0.12 -0.21 2.04 0.11 0.11 -2.03 120.40 122.76 3i1m s VAL 20 Ca 0.66 -0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 58.67 3i1m s VAL 20 Cb -0.34 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 3i1m s VAL 20 CO 0.28 -0.53 0.09 -0.69 -3.33 0.00 0.00 175.10 170.92 3i1m s VAL 21 N -2.91 4.89 0.09 2.04 1.01 -0.82 -0.61 120.40 124.10 3i1m s VAL 21 Ca -0.02 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 3i1m s VAL 21 Cb 0.01 -3.24 0.08 0.00 0.00 0.00 0.00 36.38 33.23 3i1m s VAL 21 CO -0.06 0.41 0.76 0.00 0.00 0.00 0.00 175.10 176.21 3i1m s ALA 22 N 0.74 -1.68 -0.41 5.51 0.00 0.29 -0.04 121.76 126.17 3i1m s ALA 22 Ca 0.05 0.65 -0.28 0.00 0.00 0.00 0.00 51.96 52.38 3i1m s ALA 22 Cb -0.13 0.66 -0.07 0.00 0.00 0.00 0.00 23.12 23.58 3i1m s ALA 22 CO 0.02 -0.77 2.35 -3.47 0.00 0.00 0.00 175.76 173.89 3i1m n ASP 23 N -0.33 2.55 -0.28 0.00 2.03 -1.26 -1.61 116.55 117.64 3i1m n ASP 23 Ca -0.12 -0.18 0.28 0.00 0.52 0.00 0.00 54.79 55.29 3i1m n ASP 23 Cb 0.63 -1.53 0.50 0.00 -0.72 0.00 0.00 41.12 40.00 3i1m n ASP 23 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3i1m n SER 24 N 13.88 0.28 0.09 1.67 3.41 -1.13 -0.58 113.62 131.24 3i1m n SER 24 Ca 0.36 1.35 0.08 0.00 -0.26 0.00 0.00 58.87 60.41 3i1m n SER 24 Cb 0.47 -0.66 0.39 0.00 -0.26 0.00 0.00 64.21 64.15 3i1m n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1m n ARG 25 N -4.81 0.10 -1.70 4.33 1.74 -1.26 -4.73 116.66 110.33 3i1m n ARG 25 Ca 0.32 0.46 -0.29 0.00 -0.77 0.00 0.00 57.85 57.57 3i1m n ARG 25 Cb 1.11 -1.75 0.13 0.00 -1.02 0.00 0.00 32.46 30.92 3i1m n ARG 25 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3i1m s ASN 26 N -3.70 3.74 0.76 0.55 0.02 0.25 -5.03 114.94 111.53 3i1m s ASN 26 Ca 0.02 0.80 -0.13 0.00 -1.02 0.00 0.00 52.86 52.53 3i1m s ASN 26 Cb 0.07 -1.26 0.05 0.00 0.02 0.00 0.00 41.25 40.13 3i1m s ASN 26 CO 0.24 -2.39 1.14 0.00 0.02 0.00 0.00 177.10 176.11 3i1m s ALA 27 N -3.46 2.12 0.53 0.60 0.00 -1.26 -4.91 121.76 115.38 3i1m s ALA 27 Ca 0.65 0.60 0.19 0.00 0.00 0.00 0.00 51.96 53.39 3i1m s ALA 27 Cb -0.12 -3.38 1.38 0.00 0.00 0.00 0.00 23.12 21.00 3i1m s ALA 27 CO 0.52 -1.87 2.16 -0.09 0.00 0.00 0.00 175.76 176.48 3i1m h ARG 28 N -0.71 0.00 -1.10 0.00 2.43 -1.95 -2.34 114.38 110.72 3i1m h ARG 28 Ca -0.46 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.16 3i1m h ARG 28 Cb 1.26 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 30.39 3i1m h ARG 28 CO 0.50 0.00 -0.80 0.09 -1.51 0.00 0.00 179.97 178.24 3i1m n ASN 29 N -4.39 4.58 0.00 -3.80 3.02 -1.26 -4.34 115.26 109.06 3i1m n ASN 29 Ca -0.02 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.89 3i1m n ASN 29 Cb 0.12 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3i1m n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1m n GLY 30 N -0.58 5.72 3.66 7.41 0.00 -0.88 -5.05 105.19 115.47 3i1m n GLY 30 Ca 0.39 -1.81 -0.60 0.00 0.00 0.00 0.00 46.02 44.00 3i1m n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1m n ARG 31 N 0.00 0.57 -4.25 1.61 0.63 -1.26 -4.93 116.66 109.02 3i1m n ARG 31 Ca 0.00 0.21 -0.18 0.00 -0.92 0.00 0.00 57.85 56.96 3i1m n ARG 31 Cb 0.00 -1.79 -0.15 0.00 0.45 0.00 0.00 32.46 30.97 3i1m n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3i1m s PHE 32 N 2.13 0.66 0.07 -0.14 -0.12 -1.26 -4.52 117.98 114.80 3i1m s PHE 32 Ca 0.96 -0.13 -0.20 0.00 -0.05 0.00 0.00 56.93 57.51 3i1m s PHE 32 Cb -1.22 -0.46 -0.11 0.00 -0.63 0.00 0.00 43.02 40.61 3i1m s PHE 32 CO 0.66 -0.04 1.52 0.82 -0.05 0.00 0.00 175.22 178.13 3i1m h ILE 33 N 5.16 1.24 -1.67 -4.49 2.04 -0.83 -3.46 117.51 115.50 3i1m h ILE 33 Ca -0.31 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 64.83 3i1m h ILE 33 Cb 1.18 1.40 -0.25 0.00 -0.74 0.00 0.00 36.82 38.40 3i1m h ILE 33 CO 0.50 0.24 0.35 -1.83 0.00 0.00 0.00 178.15 177.40 3i1m s GLU 34 N -5.09 0.53 0.41 2.37 -1.05 -1.01 -5.01 118.70 109.85 3i1m s GLU 34 Ca -0.14 0.73 -0.26 0.00 -0.15 0.00 0.00 54.97 55.15 3i1m s GLU 34 Cb 0.06 0.20 -0.09 0.00 -0.44 0.00 0.00 34.13 33.87 3i1m s GLU 34 CO 0.72 -0.08 1.30 0.50 0.95 0.00 0.00 175.26 178.65 3i1m s ARG 35 N 0.73 3.94 0.00 -4.83 3.00 -1.26 -1.95 118.95 118.57 3i1m s ARG 35 Ca -0.02 2.14 0.10 0.00 -1.00 0.00 0.00 55.73 56.94 3i1m s ARG 35 Cb -0.05 -2.73 0.16 0.00 0.00 0.00 0.00 34.95 32.33 3i1m s ARG 35 CO -0.10 -0.51 0.99 1.55 0.00 0.00 0.00 175.30 177.23 3i1m n VAL 36 N 0.08 0.00 0.00 7.11 3.14 -0.86 -4.93 118.33 122.87 3i1m n VAL 36 Ca 0.04 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 3i1m n VAL 36 Cb 0.44 0.61 0.00 0.00 -1.06 0.00 0.00 33.84 33.83 3i1m n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1m n GLY 37 N 0.18 0.40 3.26 7.55 0.00 -1.19 -2.39 105.19 113.01 3i1m n GLY 37 Ca -0.06 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 3i1m n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i1m s PHE 38 N -1.45 -0.04 -0.29 1.61 -0.12 -0.63 -2.42 117.98 114.63 3i1m s PHE 38 Ca 0.00 -0.32 -0.03 0.00 -0.05 0.00 0.00 56.93 56.53 3i1m s PHE 38 Cb 0.00 0.11 0.11 0.00 -0.63 0.00 0.00 43.02 42.62 3i1m s PHE 38 CO 0.00 -0.63 0.18 0.12 -0.05 0.00 0.00 175.22 174.85 3i1m s PHE 39 N -3.80 0.10 -0.43 3.49 5.36 0.41 -2.86 117.98 120.25 3i1m s PHE 39 Ca 0.04 -0.71 -0.25 0.00 -0.96 0.00 0.00 56.93 55.05 3i1m s PHE 39 Cb 0.03 -0.77 0.02 0.00 -0.34 0.00 0.00 43.02 41.97 3i1m s PHE 39 CO -0.11 -0.86 0.89 1.21 -1.46 0.00 0.00 175.22 174.88 3i1m s ASN 40 N 2.12 6.52 0.03 6.13 3.84 -1.21 -1.63 114.94 130.74 3i1m s ASN 40 Ca 0.10 0.19 0.20 0.00 0.21 0.00 0.00 52.86 53.55 3i1m s ASN 40 Cb -0.16 -2.44 0.82 0.00 -0.55 0.00 0.00 41.25 38.93 3i1m s ASN 40 CO -0.34 -0.96 1.62 -0.81 -2.79 0.00 0.00 177.10 173.83 3i1m n PRO 41 N 6.94 0.03 0.00 0.43 -0.04 -1.26 -4.21 135.00 136.88 3i1m n PRO 41 Ca 0.05 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3i1m n PRO 41 Cb 0.48 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3i1m n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i1m n ILE 42 N -1.60 0.00 0.00 0.52 2.08 -1.26 -4.91 119.36 114.19 3i1m n ILE 42 Ca 0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.35 3i1m n ILE 42 Cb 0.23 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.87 3i1m n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1m n ALA 43 N -3.00 0.00 -0.09 -1.39 0.00 -1.26 -4.78 120.51 109.99 3i1m n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1m n ALA 43 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1m n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1m n SER 44 N 1.54 -0.47 -4.55 0.00 3.41 -1.26 -4.71 113.62 107.57 3i1m n SER 44 Ca 0.00 0.10 -0.24 0.00 -0.26 0.00 0.00 58.87 58.47 3i1m n SER 44 Cb 0.00 0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3i1m n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i1m n GLU 45 N -1.68 0.79 0.00 4.33 2.13 -1.26 -4.68 120.64 120.27 3i1m n GLU 45 Ca -0.00 -0.44 0.00 0.00 0.66 0.00 0.00 57.16 57.38 3i1m n GLU 45 Cb 0.03 -3.58 0.00 0.00 0.27 0.00 0.00 31.44 28.16 3i1m n GLU 45 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 3i1m n LYS 46 N 8.91 0.00 0.04 5.31 -0.00 -1.26 -5.07 118.16 126.08 3i1m n LYS 46 Ca 0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.64 3i1m n LYS 46 Cb 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.39 3i1m n LYS 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3i1m h GLU 47 N 0.00 0.06 -5.03 -1.58 5.08 -1.92 -3.47 114.58 107.71 3i1m h GLU 47 Ca 0.00 -0.10 -0.46 0.00 -1.00 0.00 0.00 59.36 57.81 3i1m h GLU 47 Cb 0.00 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.15 3i1m h GLU 47 CO 0.00 0.87 -0.57 -2.00 -1.00 0.00 0.00 179.01 176.31 3i1m s GLU 48 N -2.66 1.67 0.29 2.33 2.56 -1.26 -5.08 118.70 116.55 3i1m s GLU 48 Ca -0.03 -1.96 0.00 0.00 0.00 0.00 0.00 54.97 52.99 3i1m s GLU 48 Cb 0.09 -0.52 0.00 0.00 2.00 0.00 0.00 34.13 35.70 3i1m s GLU 48 CO 0.83 -0.34 0.00 0.41 -0.56 0.00 0.00 175.26 175.59 3i1m n GLY 49 N -0.68 -1.46 3.03 -1.50 0.00 -1.26 -4.75 105.19 98.57 3i1m n GLY 49 Ca -0.02 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3i1m n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1m s THR 50 N -2.00 -0.25 -0.05 2.61 2.01 -1.26 -3.33 115.64 113.36 3i1m s THR 50 Ca 0.00 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.27 3i1m s THR 50 Cb 0.00 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 3i1m s THR 50 CO 0.00 0.09 -0.18 -0.60 -0.69 0.00 0.00 174.62 173.25 3i1m s ARG 51 N 1.93 2.49 -0.04 4.92 3.52 -1.13 -5.02 118.95 125.62 3i1m s ARG 51 Ca -0.03 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.79 3i1m s ARG 51 Cb -0.11 -2.31 0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3i1m s ARG 51 CO -0.09 0.56 0.06 -0.51 -0.81 0.00 0.00 175.30 174.51 3i1m s LEU 52 N -0.57 0.34 -1.40 -0.88 1.02 -1.26 -1.61 118.68 114.33 3i1m s LEU 52 Ca 0.08 0.08 -0.16 0.00 0.02 0.00 0.00 54.13 54.16 3i1m s LEU 52 Cb -0.11 -0.10 0.05 0.00 0.02 0.00 0.00 46.19 46.04 3i1m s LEU 52 CO 0.01 -0.22 2.06 -0.67 0.02 0.00 0.00 176.35 177.54 3i1m n ASP 53 N 5.05 4.22 0.29 2.29 2.03 -1.01 -4.80 116.55 124.63 3i1m n ASP 53 Ca -0.09 -2.87 0.14 0.00 0.52 0.00 0.00 54.79 52.50 3i1m n ASP 53 Cb 0.50 -1.69 0.87 0.00 -0.72 0.00 0.00 41.12 40.08 3i1m n ASP 53 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3i1m h LEU 54 N 10.97 0.00 -0.43 -2.67 4.07 -1.97 -1.24 115.31 124.04 3i1m h LEU 54 Ca 0.53 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.42 3i1m h LEU 54 Cb 0.72 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 3i1m h LEU 54 CO 1.74 0.03 -0.00 -2.24 -1.08 0.00 0.00 178.44 176.88 3i1m h ASP 55 N 0.00 0.75 0.04 -0.43 3.04 -1.98 0.27 116.42 118.12 3i1m h ASP 55 Ca -0.00 -0.31 -0.00 0.00 -3.24 0.00 0.00 57.03 53.48 3i1m h ASP 55 Cb 0.07 -0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.16 3i1m h ASP 55 CO 0.00 0.88 -0.02 0.03 -2.04 0.00 0.00 179.24 178.09 3i1m h ARG 56 N 0.60 -0.06 -0.42 4.15 2.47 -1.67 -0.92 114.38 118.54 3i1m h ARG 56 Ca 0.12 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.93 3i1m h ARG 56 Cb 0.50 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.74 3i1m h ARG 56 CO 0.02 0.42 -0.19 0.82 0.56 0.00 0.00 179.97 181.60 3i1m h ILE 57 N -0.56 0.42 0.00 2.04 2.04 -1.33 0.38 117.51 120.50 3i1m h ILE 57 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3i1m h ILE 57 Cb 0.50 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3i1m h ILE 57 CO 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 177.99 3i1m h ALA 58 N 1.19 1.31 -0.12 1.87 0.00 -0.48 -2.38 119.26 120.66 3i1m h ALA 58 Ca 0.20 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3i1m h ALA 58 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3i1m h ALA 58 CO -0.49 0.21 -0.42 1.25 0.00 0.00 0.00 179.25 179.81 3i1m h HIS 59 N 0.00 0.65 -0.16 0.00 -0.00 0.71 -2.76 115.15 113.59 3i1m h HIS 59 Ca -0.00 -0.27 -0.04 0.00 -0.00 0.00 0.00 60.37 60.05 3i1m h HIS 59 Cb 0.42 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.71 3i1m h HIS 59 CO 0.00 1.02 -0.10 -1.49 -0.00 0.00 0.00 177.93 177.36 3i1m h TRP 60 N 0.09 0.25 -0.31 5.26 4.06 0.01 0.46 115.95 125.77 3i1m h TRP 60 Ca -0.02 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.84 3i1m h TRP 60 Cb 1.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 29.12 3i1m h TRP 60 CO 0.11 0.35 -0.08 0.28 -3.56 0.00 0.00 178.44 175.53 3i1m h VAL 61 N 0.23 1.22 -0.94 1.49 2.07 -1.48 -1.43 116.25 117.42 3i1m h VAL 61 Ca 0.05 -0.94 0.15 0.00 0.82 0.00 0.00 66.70 66.77 3i1m h VAL 61 Cb 0.33 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 3i1m h VAL 61 CO 0.02 0.31 0.55 1.23 0.02 0.00 0.00 177.57 179.70 3i1m h GLY 62 N 0.90 1.57 -1.78 2.17 0.00 0.21 0.93 103.07 107.07 3i1m h GLY 62 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3i1m h GLY 62 CO 0.02 0.03 0.00 -1.06 0.00 0.00 0.00 176.54 175.53 3i1m n GLN 63 N -4.76 2.32 -1.44 4.80 3.00 -0.95 -4.93 117.38 115.43 3i1m n GLN 63 Ca 0.19 -1.53 0.00 0.00 -0.01 0.00 0.00 57.00 55.65 3i1m n GLN 63 Cb 0.44 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.17 3i1m n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i1m n GLY 64 N 0.87 0.46 3.90 1.08 0.00 0.32 -5.07 105.19 106.76 3i1m n GLY 64 Ca 0.14 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3i1m n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m s ALA 65 N -2.96 3.93 0.47 4.61 0.00 -0.58 -4.64 121.76 122.59 3i1m s ALA 65 Ca 0.00 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.52 3i1m s ALA 65 Cb 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.73 3i1m s ALA 65 CO 0.00 0.06 0.48 0.95 0.00 0.00 0.00 175.76 177.25 3i1m s THR 66 N -2.20 2.40 -0.03 0.00 -4.23 -0.58 -4.64 115.64 106.35 3i1m s THR 66 Ca 0.40 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 3i1m s THR 66 Cb -0.08 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3i1m s THR 66 CO 0.28 0.00 -0.09 -0.51 -0.54 0.00 0.00 174.62 173.76 3i1m s ILE 67 N -2.55 0.81 0.47 2.99 1.10 -1.26 -2.06 121.20 120.69 3i1m s ILE 67 Ca 0.48 -0.37 -0.25 0.00 -0.51 0.00 0.00 60.65 60.01 3i1m s ILE 67 Cb -0.04 -0.73 -0.08 0.00 0.15 0.00 0.00 42.46 41.76 3i1m s ILE 67 CO 0.29 0.26 1.39 -1.20 -2.11 0.00 0.00 174.94 173.57 3i1m n SER 68 N 3.35 3.07 0.10 4.50 7.64 -1.03 -4.78 113.62 126.48 3i1m n SER 68 Ca -0.19 1.09 0.11 0.00 1.01 0.00 0.00 58.87 60.89 3i1m n SER 68 Cb 0.54 -1.58 0.45 0.00 -1.01 0.00 0.00 64.21 62.61 3i1m n SER 68 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3i1m n ASP 69 N -0.27 0.53 0.07 6.43 5.68 -1.26 0.96 116.55 128.68 3i1m n ASP 69 Ca 0.06 0.62 0.11 0.00 -0.50 0.00 0.00 54.79 55.09 3i1m n ASP 69 Cb 0.42 -0.74 -0.01 0.00 -1.14 0.00 0.00 41.12 39.65 3i1m n ASP 69 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3i1m n ARG 70 N -2.07 0.53 -0.04 0.11 3.00 -1.26 -3.35 116.66 113.57 3i1m n ARG 70 Ca 0.03 0.04 -0.19 0.00 -0.00 0.00 0.00 57.85 57.73 3i1m n ARG 70 Cb 0.23 -1.72 -0.13 0.00 0.00 0.00 0.00 32.46 30.84 3i1m n ARG 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3i1m h VAL 71 N 0.00 1.27 -0.75 5.15 2.07 -1.53 -3.22 116.25 119.24 3i1m h VAL 71 Ca 0.00 -2.35 0.21 0.00 0.82 0.00 0.00 66.70 65.38 3i1m h VAL 71 Cb 0.93 2.84 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 3i1m h VAL 71 CO 0.00 0.58 0.53 0.00 0.02 0.00 0.00 177.57 178.70 3i1m h ALA 72 N -0.13 2.66 0.55 1.67 0.00 0.43 0.26 119.26 124.70 3i1m h ALA 72 Ca -0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3i1m h ALA 72 Cb 1.42 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.27 3i1m h ALA 72 CO -0.01 -0.87 -0.27 0.00 0.00 0.00 0.00 179.25 178.10 3i1m h ALA 73 N 1.63 -0.94 -0.75 0.00 0.00 -1.65 -2.70 119.26 114.84 3i1m h ALA 73 Ca 0.36 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.25 3i1m h ALA 73 Cb 1.38 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.36 3i1m h ALA 73 CO -0.02 -0.89 0.28 -0.07 0.00 0.00 0.00 179.25 178.56 3i1m h LEU 74 N -0.93 0.23 0.20 0.00 3.38 -1.18 0.15 115.31 117.15 3i1m h LEU 74 Ca -0.08 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i1m h LEU 74 Cb 0.57 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3i1m h LEU 74 CO 0.13 0.08 -0.30 0.40 0.09 0.00 0.00 178.44 178.83 3i1m h ILE 75 N 0.41 0.36 -0.17 1.22 2.04 -1.06 0.62 117.51 120.93 3i1m h ILE 75 Ca 0.42 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.24 3i1m h ILE 75 Cb 0.66 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3i1m h ILE 75 CO -0.42 0.00 0.05 1.17 0.00 0.00 0.00 178.15 178.95 3i1m n LYS 76 N -5.41 1.68 -0.04 2.37 3.00 -0.82 -3.30 118.16 115.65 3i1m n LYS 76 Ca -0.08 -0.71 -0.07 0.00 -0.00 0.00 0.00 58.31 57.45 3i1m n LYS 76 Cb 0.32 -1.53 -0.03 0.00 0.00 0.00 0.00 35.03 33.78 3i1m n LYS 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3i1m n GLU 77 N 0.14 0.18 0.00 1.64 0.00 0.51 -4.37 120.64 118.74 3i1m n GLU 77 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.31 3i1m n GLU 77 Cb 0.58 -0.92 0.00 0.00 0.00 0.00 0.00 31.44 31.10 3i1m n GLU 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 3i1m n VAL 78 N -3.13 0.00 0.00 6.31 3.14 0.19 -4.92 118.33 119.91 3i1m n VAL 78 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 3i1m n VAL 78 Cb 0.62 -0.30 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 3i1m n VAL 78 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i1m n ASN 79 N 0.16 0.00 0.00 6.55 3.02 -1.23 -4.67 115.26 119.09 3i1m n ASN 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3i1m n ASN 79 Cb 0.15 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3i1m n ASN 79 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3i1m n LYS 80 N 0.00 0.00 -0.18 3.52 4.81 -1.26 -4.29 118.16 120.76 3i1m n LYS 80 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 3i1m n LYS 80 Cb 0.00 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.14 3i1m n LYS 80 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1m n ALA 81 N 0.00 2.13 -0.67 3.14 0.00 -1.26 -5.09 120.51 118.76 3i1m n ALA 81 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.45 3i1m n ALA 81 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3i1m n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50