#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i35 s ILE 2 N 0.00 4.76 0.29 0.00 1.01 -1.26 -0.69 121.20 125.31 1i35 s ILE 2 Ca 0.00 2.03 0.11 0.00 0.00 0.00 0.00 60.65 62.79 1i35 s ILE 2 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1i35 s ILE 2 CO 0.00 -0.00 -0.10 -0.76 0.00 0.00 0.00 174.94 174.07 1i35 s LEU 3 N 2.05 2.85 -0.23 2.97 1.43 -0.82 -4.80 118.68 122.13 1i35 s LEU 3 Ca 0.48 -0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1i35 s LEU 3 Cb -0.18 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1i35 s LEU 3 CO 0.18 -0.02 0.09 -0.60 0.23 0.00 0.00 176.35 176.23 1i35 s ARG 4 N -3.59 3.83 -0.13 1.70 3.00 -1.26 -2.20 118.95 120.29 1i35 s ARG 4 Ca 0.31 -0.40 -0.05 0.00 -1.00 0.00 0.00 55.73 54.59 1i35 s ARG 4 Cb -0.05 -3.33 -0.04 0.00 0.00 0.00 0.00 34.95 31.53 1i35 s ARG 4 CO 0.17 -0.01 0.03 -0.06 0.00 0.00 0.00 175.30 175.44 1i35 s PHE 5 N 1.15 3.22 -0.02 5.12 0.08 -0.52 0.75 117.98 127.77 1i35 s PHE 5 Ca 0.05 0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.27 1i35 s PHE 5 Cb -0.14 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.37 1i35 s PHE 5 CO 0.04 0.32 -0.16 0.42 -0.10 0.00 0.00 175.22 175.74 1i35 s ILE 6 N -0.29 1.25 0.06 0.64 -1.09 0.64 -0.67 121.20 121.75 1i35 s ILE 6 Ca 0.07 -0.67 -0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1i35 s ILE 6 Cb -0.12 -1.05 -0.02 0.00 -1.58 0.00 0.00 42.46 39.69 1i35 s ILE 6 CO 0.02 0.36 0.07 0.00 -1.23 0.00 0.00 174.94 174.15 1i35 s ALA 7 N -0.31 0.16 0.00 9.38 0.00 -1.13 0.22 121.76 130.08 1i35 s ALA 7 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1i35 s ALA 7 Cb -0.07 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1i35 s ALA 7 CO -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 175.76 175.34 1i35 h ASN 9 N 0.00 0.00 0.00 0.00 7.08 -1.92 -3.26 115.58 117.48 1i35 h ASN 9 Ca 0.00 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1i35 h ASN 9 Cb 0.00 -0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1i35 h ASN 9 CO 0.00 0.01 0.00 0.61 -2.08 0.00 0.00 177.43 175.97 1i35 n GLY 10 N -1.08 -2.27 3.26 9.14 0.00 -1.25 -1.32 105.19 111.67 1i35 n GLY 10 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1i35 n GLY 10 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i35 n GLN 11 N -0.02 -0.46 -3.65 1.61 1.13 0.13 -4.86 117.38 111.26 1i35 n GLN 11 Ca 0.00 -0.11 -0.06 0.00 -1.94 0.00 0.00 57.00 54.89 1i35 n GLN 11 Cb 0.46 -1.55 -0.07 0.00 0.11 0.00 0.00 30.24 29.19 1i35 n GLN 11 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1i35 s THR 12 N -2.24 -0.33 0.08 5.09 -4.23 -1.26 -2.83 115.64 109.92 1i35 s THR 12 Ca 0.51 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 1i35 s THR 12 Cb -0.16 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.77 1i35 s THR 12 CO 0.71 0.01 0.26 -0.13 -0.54 0.00 0.00 174.62 174.93 1i35 s ARG 13 N 2.04 0.87 -0.17 3.99 3.00 0.16 -5.00 118.95 123.83 1i35 s ARG 13 Ca -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 55.73 54.87 1i35 s ARG 13 Cb -0.08 0.37 0.03 0.00 0.00 0.00 0.00 34.95 35.27 1i35 s ARG 13 CO -0.18 -0.29 -0.13 0.00 0.00 0.00 0.00 175.30 174.69 1i35 s ALA 14 N -3.48 2.00 0.02 2.13 0.00 -1.26 -1.44 121.76 119.73 1i35 s ALA 14 Ca 0.02 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1i35 s ALA 14 Cb 0.03 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1i35 s ALA 14 CO -0.09 -0.56 -0.12 0.14 0.00 0.00 0.00 175.76 175.13 1i35 s VAL 15 N 1.41 0.93 0.24 0.00 -7.23 -0.93 -4.97 120.40 109.86 1i35 s VAL 15 Ca 0.02 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 1i35 s VAL 15 Cb -0.14 -0.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.87 1i35 s VAL 15 CO -0.10 0.06 1.13 0.00 -0.31 0.00 0.00 175.10 175.87 1i35 s GLN 16 N -0.82 4.59 -0.25 4.82 -2.07 -1.26 -1.94 119.66 122.73 1i35 s GLN 16 Ca 0.01 1.82 -0.06 0.00 -1.82 0.00 0.00 55.36 55.31 1i35 s GLN 16 Cb -0.06 -3.21 -0.02 0.00 -1.09 0.00 0.00 33.01 28.63 1i35 s GLN 16 CO 0.01 0.11 0.03 -1.54 -1.32 0.00 0.00 175.29 172.58 1i35 s SER 17 N -0.51 4.83 0.00 12.60 1.04 0.14 -4.81 113.70 126.99 1i35 s SER 17 Ca 0.47 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1i35 s SER 17 Cb -0.32 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1i35 s SER 17 CO 0.39 -0.05 0.47 0.54 0.98 0.00 0.00 173.24 175.57 1i35 n ARG 18 N 4.87 0.00 0.00 4.02 5.12 -1.26 -0.92 116.66 128.49 1i35 n ARG 18 Ca -0.17 0.28 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1i35 n ARG 18 Cb 0.51 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 1i35 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i35 n GLY 19 N 0.42 0.00 3.46 -0.13 0.00 -1.26 -4.12 105.19 103.57 1i35 n GLY 19 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1i35 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i35 s ASP 20 N -0.32 3.99 0.39 1.61 -1.08 -1.26 -4.78 116.67 115.22 1i35 s ASP 20 Ca 0.00 -0.22 0.22 0.00 -0.52 0.00 0.00 52.55 52.03 1i35 s ASP 20 Cb 0.00 -0.91 0.26 0.00 -1.46 0.00 0.00 42.92 40.81 1i35 s ASP 20 CO 0.00 0.33 1.51 0.22 0.52 0.00 0.00 175.17 177.75 1i35 h TYR 21 N 5.49 0.00 -0.15 -5.34 5.03 -1.94 -3.20 116.97 116.85 1i35 h TYR 21 Ca -0.44 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 60.84 1i35 h TYR 21 Cb 1.16 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.43 1i35 h TYR 21 CO 0.50 0.08 -0.00 0.37 -1.32 0.00 0.00 178.16 177.78 1i35 h GLN 22 N 0.00 0.26 -0.15 1.82 5.75 -1.95 1.14 115.11 121.98 1i35 h GLN 22 Ca -0.00 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1i35 h GLN 22 Cb 1.06 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.58 1i35 h GLN 22 CO 0.01 0.49 0.05 0.87 -2.65 0.00 0.00 178.83 177.61 1i35 h LYS 23 N 0.01 0.24 -0.33 1.69 1.57 -1.98 1.59 116.57 119.35 1i35 h LYS 23 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1i35 h LYS 23 Cb 0.37 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1i35 h LYS 23 CO 0.01 0.34 0.15 1.79 -0.57 0.00 0.00 179.45 181.17 1i35 h THR 24 N 0.08 1.16 -0.41 -0.16 1.35 -1.54 0.27 112.91 113.67 1i35 h THR 24 Ca 0.05 -0.47 -0.06 0.00 -0.55 0.00 0.00 66.41 65.38 1i35 h THR 24 Cb 0.20 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1i35 h THR 24 CO -0.00 0.17 0.01 0.25 -0.25 0.00 0.00 175.52 175.70 1i35 h LEU 25 N 0.39 0.69 0.07 3.87 7.12 0.15 0.68 115.31 128.28 1i35 h LEU 25 Ca 0.11 -0.30 -0.00 0.00 0.13 0.00 0.00 57.88 57.82 1i35 h LEU 25 Cb 0.13 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1i35 h LEU 25 CO -0.01 0.82 -0.03 0.00 -0.13 0.00 0.00 178.44 179.08 1i35 h ALA 26 N 0.90 -0.09 -0.17 1.25 0.00 0.26 -1.84 119.26 119.56 1i35 h ALA 26 Ca 0.12 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 1i35 h ALA 26 Cb 0.46 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1i35 h ALA 26 CO 0.02 -0.50 -0.62 0.82 0.00 0.00 0.00 179.25 178.97 1i35 h ILE 27 N -0.18 1.30 -0.79 0.00 5.03 -0.45 -2.39 117.51 120.04 1i35 h ILE 27 Ca -0.01 -1.84 0.10 0.00 -0.12 0.00 0.00 64.86 62.99 1i35 h ILE 27 Cb 0.15 1.95 -0.08 0.00 -3.03 0.00 0.00 36.82 35.82 1i35 h ILE 27 CO 0.01 0.58 0.43 0.00 -0.68 0.00 0.00 178.15 178.49 1i35 h ALA 28 N 0.56 1.13 -0.13 1.87 0.00 0.41 -0.26 119.26 122.84 1i35 h ALA 28 Ca -0.03 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1i35 h ALA 28 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1i35 h ALA 28 CO 0.13 0.02 -0.51 1.25 0.00 0.00 0.00 179.25 180.14 1i35 h LEU 29 N 0.70 0.39 -0.30 0.00 7.12 -1.35 -0.07 115.31 121.80 1i35 h LEU 29 Ca 0.39 -0.19 0.02 0.00 0.13 0.00 0.00 57.88 58.22 1i35 h LEU 29 Cb 0.41 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.41 1i35 h LEU 29 CO -0.27 0.83 0.16 0.50 -0.13 0.00 0.00 178.44 179.53 1i35 h LYS 30 N 0.28 0.32 0.08 1.25 1.63 -0.51 -1.65 116.57 117.97 1i35 h LYS 30 Ca 0.01 -0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.53 1i35 h LYS 30 Cb 0.99 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.56 1i35 h LYS 30 CO 0.09 0.21 -1.12 -0.22 -3.45 0.00 0.00 179.45 174.96 1i35 h LYS 31 N 0.33 0.36 0.21 1.90 1.63 -1.47 -3.40 116.57 116.14 1i35 h LYS 31 Ca 0.12 -0.50 -0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1i35 h LYS 31 Cb 0.03 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1i35 h LYS 31 CO -0.07 1.19 -0.10 0.35 -3.45 0.00 0.00 179.45 177.36 1i35 h PHE 32 N 0.16 -0.27 0.00 1.91 3.04 -0.60 -3.46 116.94 117.73 1i35 h PHE 32 Ca -0.12 -0.01 -0.21 0.00 3.98 0.00 0.00 57.97 61.62 1i35 h PHE 32 Cb 1.80 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 40.37 1i35 h PHE 32 CO 0.07 -0.17 -1.69 0.45 -2.02 0.00 0.00 178.31 174.95 1i35 n SER 33 N -4.45 0.94 0.00 0.41 2.88 -0.88 -4.99 113.62 107.53 1i35 n SER 33 Ca -0.04 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1i35 n SER 33 Cb 0.11 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1i35 n SER 33 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i35 n LEU 34 N -3.54 0.00 -3.78 2.46 4.32 -0.68 -5.06 117.00 110.73 1i35 n LEU 34 Ca -0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.64 1i35 n LEU 34 Cb 0.68 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.41 1i35 n LEU 34 CO 0.02 0.00 -0.00 -1.61 -1.22 0.00 0.00 177.39 174.57 1i35 s GLU 35 N 4.41 0.86 -0.52 3.23 2.02 -1.26 -3.39 118.70 124.05 1i35 s GLU 35 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 1i35 s GLU 35 Cb 0.00 0.36 0.01 0.00 0.10 0.00 0.00 34.13 34.60 1i35 s GLU 35 CO 0.00 -0.29 0.56 -0.25 0.02 0.00 0.00 175.26 175.30 1i35 n ASP 36 N 0.21 -6.95 0.20 -0.19 8.00 -1.26 -4.94 116.55 111.62 1i35 n ASP 36 Ca -0.17 0.15 0.09 0.00 0.71 0.00 0.00 54.79 55.56 1i35 n ASP 36 Cb 0.61 -4.67 0.27 0.00 -0.02 0.00 0.00 41.12 37.31 1i35 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i35 h ALA 37 N 0.91 0.90 -0.60 2.24 0.00 -1.87 -3.36 119.26 117.47 1i35 h ALA 37 Ca 0.00 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 54.87 1i35 h ALA 37 Cb 0.94 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1i35 h ALA 37 CO 0.22 0.30 0.79 0.66 0.00 0.00 0.00 179.25 181.22 1i35 h SER 38 N 0.00 0.00 -1.84 0.00 4.64 -1.90 1.13 113.55 115.58 1i35 h SER 38 Ca -0.00 0.00 -0.73 0.00 -0.47 0.00 0.00 61.79 60.59 1i35 h SER 38 Cb 0.99 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.83 1i35 h SER 38 CO 0.03 0.00 1.02 0.29 -0.87 0.00 0.00 176.83 177.30 1i35 n LYS 39 N -3.35 3.32 -4.02 4.77 5.02 -1.26 -4.86 118.16 117.77 1i35 n LYS 39 Ca 0.12 -3.53 -0.11 0.00 -2.02 0.00 0.00 58.31 52.77 1i35 n LYS 39 Cb 1.00 -2.31 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 1i35 n LYS 39 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1i35 s PHE 40 N -3.55 0.44 0.09 2.13 0.40 0.39 -1.72 117.98 116.15 1i35 s PHE 40 Ca 0.51 -0.48 0.06 0.00 -0.60 0.00 0.00 56.93 56.42 1i35 s PHE 40 Cb 0.37 -0.28 -0.03 0.00 0.51 0.00 0.00 43.02 43.59 1i35 s PHE 40 CO -0.31 -0.13 -0.15 0.42 0.70 0.00 0.00 175.22 175.75 1i35 s ILE 41 N -1.31 1.23 0.04 0.64 -1.09 0.32 -4.76 121.20 116.28 1i35 s ILE 41 Ca -0.12 -1.44 0.08 0.00 -2.23 0.00 0.00 60.65 56.94 1i35 s ILE 41 Cb -0.09 -1.25 -0.03 0.00 -1.58 0.00 0.00 42.46 39.52 1i35 s ILE 41 CO -0.00 -0.26 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.54 1i35 s VAL 42 N -1.48 1.82 -0.01 2.92 1.01 -1.13 0.26 120.40 123.78 1i35 s VAL 42 Ca 0.02 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1i35 s VAL 42 Cb -0.09 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1i35 s VAL 42 CO 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 175.10 175.37 1i35 s VAL 44 N 0.31 1.24 0.00 0.00 -7.23 -0.84 -3.26 120.40 110.61 1i35 s VAL 44 Ca -0.03 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1i35 s VAL 44 Cb -0.06 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.49 1i35 s VAL 44 CO -0.01 -0.30 0.00 -1.20 -0.31 0.00 0.00 175.10 173.28 1i35 n SER 45 N -0.48 0.00 -4.88 4.85 7.64 -1.26 -0.46 113.62 119.02 1i35 n SER 45 Ca -0.05 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.53 1i35 n SER 45 Cb 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 1i35 n SER 45 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1i35 s GLN 46 N -5.13 3.73 1.77 1.43 0.74 -1.26 -4.51 119.66 116.43 1i35 s GLN 46 Ca 0.00 0.45 0.00 0.00 0.05 0.00 0.00 55.36 55.86 1i35 s GLN 46 Cb 0.00 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.75 1i35 s GLN 46 CO 0.00 -0.11 0.00 -1.13 -0.55 0.00 0.00 175.29 173.50 1i35 n SER 47 N -1.59 -5.19 0.33 6.67 3.41 -1.26 -3.43 113.62 112.56 1i35 n SER 47 Ca 0.02 0.07 0.21 0.00 -0.26 0.00 0.00 58.87 58.92 1i35 n SER 47 Cb 0.54 -0.19 1.16 0.00 -0.26 0.00 0.00 64.21 65.46 1i35 n SER 47 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1i35 h SER 48 N -0.06 0.00 0.00 4.04 4.64 -2.04 -3.25 113.55 116.88 1i35 h SER 48 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1i35 h SER 48 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1i35 h SER 48 CO 0.00 0.00 0.08 0.54 -0.87 0.00 0.00 176.83 176.58 1i35 n ARG 49 N -3.22 1.47 -2.63 4.77 1.74 -1.22 -4.91 116.66 112.66 1i35 n ARG 49 Ca -0.03 -0.76 -0.39 0.00 -0.77 0.00 0.00 57.85 55.90 1i35 n ARG 49 Cb 0.08 -1.90 -0.05 0.00 -1.02 0.00 0.00 32.46 29.57 1i35 n ARG 49 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1i35 s ILE 50 N 1.70 3.85 0.06 0.55 1.01 -1.23 -4.44 121.20 122.70 1i35 s ILE 50 Ca 0.47 1.72 0.07 0.00 0.00 0.00 0.00 60.65 62.91 1i35 s ILE 50 Cb 0.22 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1i35 s ILE 50 CO -0.00 0.31 -0.20 -0.54 0.00 0.00 0.00 174.94 174.51 1i35 s LYS 51 N -1.64 1.24 0.09 2.79 1.02 0.39 -4.99 119.74 118.64 1i35 s LYS 51 Ca 0.47 -0.97 -0.31 0.00 0.02 0.00 0.00 55.97 55.18 1i35 s LYS 51 Cb -0.26 -1.38 -0.06 0.00 -0.52 0.00 0.00 37.83 35.61 1i35 s LYS 51 CO 0.33 0.34 1.24 -1.17 -0.92 0.00 0.00 175.35 175.17 1i35 s LEU 52 N -1.38 4.38 -0.29 3.17 1.98 -1.26 -1.99 118.68 123.30 1i35 s LEU 52 Ca 0.06 2.11 -0.09 0.00 -2.89 0.00 0.00 54.13 53.32 1i35 s LEU 52 Cb -0.09 -3.58 -0.02 0.00 0.66 0.00 0.00 46.19 43.15 1i35 s LEU 52 CO 0.02 -0.50 0.14 -0.63 -1.89 0.00 0.00 176.35 173.49 1i35 s ILE 53 N 0.94 4.66 -0.05 6.68 1.01 0.72 -4.67 121.20 130.49 1i35 s ILE 53 Ca 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.99 1i35 s ILE 53 Cb -0.32 -3.28 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1i35 s ILE 53 CO 0.30 0.19 0.10 -0.89 0.00 0.00 0.00 174.94 174.64 1i35 s THR 54 N 1.64 -0.03 0.00 2.92 2.01 -1.26 -2.84 115.64 118.08 1i35 s THR 54 Ca 0.06 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1i35 s THR 54 Cb -0.16 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.18 1i35 s THR 54 CO 0.06 0.05 0.00 -1.84 -0.69 0.00 0.00 174.62 172.20 1i35 n GLU 55 N 3.77 0.00 0.22 4.92 0.28 -1.26 0.19 120.64 128.76 1i35 n GLU 55 Ca -0.21 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 56.89 1i35 n GLU 55 Cb 0.54 0.00 0.31 0.00 1.43 0.00 0.00 31.44 33.73 1i35 n GLU 55 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1i35 h GLU 56 N 0.00 0.00 -0.00 3.44 4.11 -1.95 -3.04 114.58 117.14 1i35 h GLU 56 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1i35 h GLU 56 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1i35 h GLU 56 CO 0.00 0.15 -0.48 1.05 0.07 0.00 0.00 179.01 179.79 1i35 h GLU 57 N 0.00 0.01 0.28 1.06 4.11 -1.47 -3.29 114.58 115.27 1i35 h GLU 57 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1i35 h GLU 57 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1i35 h GLU 57 CO 0.02 0.49 -0.26 0.27 0.07 0.00 0.00 179.01 179.60 1i35 h PHE 58 N 0.01 -0.70 -0.01 2.06 -0.00 0.23 0.38 116.94 118.90 1i35 h PHE 58 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 1i35 h PHE 58 Cb 0.86 0.27 -0.00 0.00 -0.00 0.00 0.00 35.95 37.08 1i35 h PHE 58 CO 0.00 -0.39 -0.02 1.57 -0.00 0.00 0.00 178.31 179.48 1i35 h LYS 59 N -0.57 0.03 -0.40 6.09 5.09 -1.77 -2.63 116.57 122.42 1i35 h LYS 59 Ca -0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 60.65 60.62 1i35 h LYS 59 Cb 0.52 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.84 1i35 h LYS 59 CO -0.05 0.57 -0.10 1.96 -2.09 0.00 0.00 179.45 179.74 1i35 h GLN 60 N -0.49 0.77 0.04 0.07 4.20 -1.62 -0.30 115.11 117.77 1i35 h GLN 60 Ca 0.00 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1i35 h GLN 60 Cb 0.56 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1i35 h GLN 60 CO 0.00 0.90 -0.02 0.82 -0.67 0.00 0.00 178.83 179.87 1i35 h ILE 61 N 0.58 1.33 0.07 2.54 1.08 -0.35 0.39 117.51 123.15 1i35 h ILE 61 Ca 0.10 -1.36 -0.00 0.00 -0.39 0.00 0.00 64.86 63.21 1i35 h ILE 61 Cb 0.62 2.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1i35 h ILE 61 CO 0.04 0.34 -0.03 0.00 -0.69 0.00 0.00 178.15 177.80 1i35 n PHE 63 N -4.84 0.49 -2.26 0.00 3.01 -0.13 -4.92 117.46 108.81 1i35 n PHE 63 Ca -0.08 0.18 -0.02 0.00 1.01 0.00 0.00 57.45 58.53 1i35 n PHE 63 Cb 0.30 -0.79 -0.02 0.00 -0.01 0.00 0.00 39.48 38.96 1i35 n PHE 63 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1i35 n ASN 64 N -1.93 -3.17 -4.04 4.37 5.03 0.10 -4.70 115.26 110.92 1i35 n ASN 64 Ca 0.03 0.93 -0.42 0.00 0.87 0.00 0.00 54.58 55.99 1i35 n ASN 64 Cb 0.25 -3.88 -0.13 0.00 -1.02 0.00 0.00 39.78 35.00 1i35 n ASN 64 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1i35 n SER 65 N 0.84 0.38 0.02 6.41 3.41 0.12 -4.32 113.62 120.48 1i35 n SER 65 Ca -0.16 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1i35 n SER 65 Cb 0.25 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1i35 n SER 65 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i35 n SER 66 N 8.80 -0.37 -3.68 4.04 7.64 -1.26 -5.12 113.62 123.67 1i35 n SER 66 Ca 0.57 0.08 -0.06 0.00 1.01 0.00 0.00 58.87 60.47 1i35 n SER 66 Cb 0.01 0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 63.99 1i35 n SER 66 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1i35 s SER 67 N -2.02 -0.28 -1.20 6.43 0.01 -1.26 -5.09 113.70 110.28 1i35 s SER 67 Ca 0.00 -0.32 -0.20 0.00 1.31 0.00 0.00 55.95 56.74 1i35 s SER 67 Cb 0.00 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.78 1i35 s SER 67 CO 0.00 -0.95 1.78 -2.16 0.41 0.00 0.00 173.24 172.31 1i35 s PRO 68 N -3.45 3.39 0.03 12.44 0.04 -1.26 -4.80 135.00 141.38 1i35 s PRO 68 Ca 0.09 -1.52 -0.21 0.00 0.04 0.00 0.00 61.00 59.40 1i35 s PRO 68 Cb -0.02 -5.40 -0.16 0.00 0.04 0.00 0.00 34.50 28.96 1i35 s PRO 68 CO -0.01 -2.86 1.29 1.49 0.04 0.00 0.00 177.00 176.96 1i35 h GLU 69 N 8.75 0.35 -3.32 4.56 4.57 -1.97 -3.50 114.58 124.02 1i35 h GLU 69 Ca 0.32 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1i35 h GLU 69 Cb 0.92 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1i35 h GLU 69 CO 1.37 0.80 -0.70 0.54 -1.18 0.00 0.00 179.01 179.84 1i35 n ARG 70 N -4.51 -4.03 -3.04 1.92 1.74 -1.26 -5.09 116.66 102.39 1i35 n ARG 70 Ca -0.07 2.96 0.04 0.00 -0.77 0.00 0.00 57.85 60.01 1i35 n ARG 70 Cb 0.41 -3.10 0.00 0.00 -1.02 0.00 0.00 32.46 28.75 1i35 n ARG 70 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1i35 s ASP 71 N -0.77 -0.70 0.00 0.55 1.01 -1.26 -4.96 116.67 110.54 1i35 s ASP 71 Ca 0.00 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.16 1i35 s ASP 71 Cb 0.00 1.20 0.00 0.00 1.01 0.00 0.00 42.92 45.13 1i35 s ASP 71 CO 0.00 -0.11 0.00 0.54 0.21 0.00 0.00 175.17 175.81 1i35 n ARG 72 N 4.63 0.00 0.00 8.23 1.74 -1.17 -4.78 116.66 125.32 1i35 n ARG 72 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1i35 n ARG 72 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 1i35 n ARG 72 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1i35 n LEU 73 N 0.00 0.00 -4.30 0.55 -0.00 0.23 -2.92 117.00 110.56 1i35 n LEU 73 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 1i35 n LEU 73 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1i35 n LEU 73 CO 0.00 0.00 -0.55 0.27 -0.00 0.00 0.00 177.39 177.11 1i35 s ILE 74 N 0.00 1.93 -0.12 1.47 -0.00 -1.20 0.23 121.20 123.51 1i35 s ILE 74 Ca 0.00 -1.33 -0.04 0.00 -0.00 0.00 0.00 60.65 59.28 1i35 s ILE 74 Cb 0.00 -1.67 -0.04 0.00 -0.00 0.00 0.00 42.46 40.76 1i35 s ILE 74 CO 0.00 0.27 0.03 -0.63 -0.00 0.00 0.00 174.94 174.61 1i35 s ILE 75 N -0.82 4.51 0.03 8.37 -1.09 0.59 -2.06 121.20 130.72 1i35 s ILE 75 Ca 0.10 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.38 1i35 s ILE 75 Cb -0.09 -2.95 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 1i35 s ILE 75 CO 0.02 0.55 -0.07 0.68 -1.23 0.00 0.00 174.94 174.89 1i35 s VAL 76 N -0.41 0.54 -0.19 2.92 -7.23 0.14 -2.70 120.40 113.47 1i35 s VAL 76 Ca 0.08 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1i35 s VAL 76 Cb -0.12 -0.55 0.19 0.00 0.56 0.00 0.00 36.38 36.46 1i35 s VAL 76 CO 0.02 -0.19 1.67 -0.81 -0.31 0.00 0.00 175.10 175.48 1i35 n PRO 77 N 1.97 1.51 0.00 4.82 -0.04 -1.26 0.12 135.00 142.12 1i35 n PRO 77 Ca -0.19 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1i35 n PRO 77 Cb 0.56 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1i35 n PRO 77 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1i35 n LYS 78 N 0.30 0.00 0.00 0.54 4.81 -0.70 -4.06 118.16 119.05 1i35 n LYS 78 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1i35 n LYS 78 Cb 0.73 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.78 1i35 n LYS 78 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1i35 n GLU 79 N 0.00 0.54 0.00 1.64 4.07 -1.26 -3.93 120.64 121.70 1i35 n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1i35 n GLU 79 Cb 0.00 -1.25 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 1i35 n GLU 79 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1i35 n LYS 80 N 0.17 0.00 0.00 5.31 3.00 -1.26 -5.18 118.16 120.20 1i35 n LYS 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1i35 n LYS 80 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.15 1i35 n LYS 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1i35 n PRO 81 N 0.00 1.28 -1.56 1.64 -0.04 -1.25 -4.09 135.00 130.98 1i35 n PRO 81 Ca 0.00 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1i35 n PRO 81 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1i35 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i35 h PRO 83 N 17.59 0.77 0.00 0.00 0.11 -1.95 -3.47 132.00 145.04 1i35 h PRO 83 Ca -0.30 -0.37 0.00 0.00 0.11 0.00 0.00 66.00 65.44 1i35 h PRO 83 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1i35 h PRO 83 CO 1.08 0.99 0.00 0.45 -0.21 0.00 0.00 178.00 180.31 1i35 n SER 84 N -4.07 -0.08 -0.08 -2.05 2.88 -1.26 -5.01 113.62 103.95 1i35 n SER 84 Ca -0.01 0.17 -0.11 0.00 -1.33 0.00 0.00 58.87 57.59 1i35 n SER 84 Cb 0.50 0.24 -0.04 0.00 -0.75 0.00 0.00 64.21 64.16 1i35 n SER 84 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1i35 h PHE 85 N 0.00 0.47 -0.93 0.66 0.04 -1.91 -1.75 116.94 113.52 1i35 h PHE 85 Ca 0.00 -0.08 0.25 0.00 2.80 0.00 0.00 57.97 60.94 1i35 h PHE 85 Cb 0.00 -0.12 -0.17 0.00 2.20 0.00 0.00 35.95 37.86 1i35 h PHE 85 CO 0.00 0.60 0.05 0.93 -0.60 0.00 0.00 178.31 179.29 1i35 h GLU 86 N 0.21 0.05 0.10 1.51 5.08 -1.24 1.91 114.58 122.19 1i35 h GLU 86 Ca 0.07 -0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.06 1i35 h GLU 86 Cb 0.41 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1i35 h GLU 86 CO 0.01 0.03 -2.08 -0.40 -1.00 0.00 0.00 179.01 175.57 1i35 n ASP 87 N -5.43 2.09 -0.06 1.42 5.75 -1.23 -4.40 116.55 114.69 1i35 n ASP 87 Ca 0.21 0.14 -0.15 0.00 -0.01 0.00 0.00 54.79 54.98 1i35 n ASP 87 Cb 0.70 -0.77 -0.06 0.00 -1.03 0.00 0.00 41.12 39.96 1i35 n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1i35 h LEU 88 N 0.02 0.87 0.30 -2.12 -0.00 -0.82 -3.43 115.31 110.13 1i35 h LEU 88 Ca -0.46 -0.56 -0.34 0.00 -0.00 0.00 0.00 57.88 56.53 1i35 h LEU 88 Cb 1.99 -0.25 -0.20 0.00 -0.00 0.00 0.00 40.66 42.19 1i35 h LEU 88 CO 0.04 1.27 -0.49 -2.11 -0.00 0.00 0.00 178.44 177.15 1i35 n ARG 89 N -4.08 -1.85 -2.79 1.13 1.85 0.64 0.10 116.66 111.66 1i35 n ARG 89 Ca -0.06 0.09 -0.03 0.00 -1.00 0.00 0.00 57.85 56.85 1i35 n ARG 89 Cb 0.62 -4.64 -0.03 0.00 -1.05 0.00 0.00 32.46 27.36 1i35 n ARG 89 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1i35 n ARG 90 N -3.35 -3.29 -2.57 2.89 1.74 -1.26 -4.46 116.66 106.36 1i35 n ARG 90 Ca 0.06 2.60 -0.05 0.00 -0.77 0.00 0.00 57.85 59.69 1i35 n ARG 90 Cb 0.48 -3.56 0.02 0.00 -1.02 0.00 0.00 32.46 28.38 1i35 n ARG 90 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1i35 n SER 91 N 1.89 -2.57 0.00 0.55 7.64 -1.19 -4.99 113.62 114.96 1i35 n SER 91 Ca -0.24 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1i35 n SER 91 Cb 0.40 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 61.96 1i35 n SER 91 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1i35 n TRP 92 N -2.47 0.00 -0.08 1.43 2.14 0.11 -4.58 117.44 113.99 1i35 n TRP 92 Ca -0.03 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1i35 n TRP 92 Cb 0.53 -0.37 0.00 0.00 -0.81 0.00 0.00 31.31 30.66 1i35 n TRP 92 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1i35 n GLU 93 N -2.33 0.00 -3.64 -2.67 2.13 -1.26 -4.60 120.64 108.26 1i35 n GLU 93 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1i35 n GLU 93 Cb 0.00 -1.64 -0.07 0.00 0.27 0.00 0.00 31.44 30.01 1i35 n GLU 93 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1i35 s ILE 94 N -0.29 0.00 -2.00 6.31 2.07 -1.26 -4.85 121.20 121.18 1i35 s ILE 94 Ca 0.00 0.00 0.28 0.00 -1.41 0.00 0.00 60.65 59.52 1i35 s ILE 94 Cb 0.00 -1.00 0.80 0.00 0.13 0.00 0.00 42.46 42.39 1i35 s ILE 94 CO 0.00 0.00 2.03 1.21 -1.91 0.00 0.00 174.94 176.27