#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn6 n ASP 2 N 0.00 2.89 -0.11 6.43 9.92 -1.26 -4.29 116.55 130.13 1sn6 n ASP 2 Ca 0.00 -2.39 -0.25 0.00 -0.53 0.00 0.00 54.79 51.62 1sn6 n ASP 2 Cb 0.00 -0.93 -0.11 0.00 -0.64 0.00 0.00 41.12 39.44 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1sn6 n VAL 3 N 5.20 1.56 0.03 2.53 0.31 -1.26 -4.22 118.33 122.47 1sn6 n VAL 3 Ca 0.38 -0.33 -0.19 0.00 -0.01 0.00 0.00 64.34 64.20 1sn6 n VAL 3 Cb 0.22 -1.85 -0.12 0.00 -0.91 0.00 0.00 33.84 31.19 1sn6 n VAL 3 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1sn6 h TYR 4 N -0.73 0.73 -1.08 3.52 -1.99 -1.96 -2.39 116.97 113.08 1sn6 h TYR 4 Ca -0.54 -0.42 0.29 0.00 2.00 0.00 0.00 58.73 60.06 1sn6 h TYR 4 Cb 1.61 -0.08 -0.09 0.00 2.00 0.00 0.00 36.73 40.17 1sn6 h TYR 4 CO 0.01 1.25 0.70 0.00 -0.00 0.00 0.00 178.16 180.12 1sn6 h GLU 6 N 0.33 0.00 -0.47 0.00 5.08 -1.72 -2.98 114.58 114.81 1sn6 h GLU 6 Ca 0.62 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 59.07 1sn6 h GLU 6 Cb 1.68 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.84 1sn6 h GLU 6 CO -0.29 0.14 -0.19 0.28 -1.00 0.00 0.00 179.01 177.95 1sn6 h VAL 7 N -1.00 0.40 -0.64 3.13 2.07 -0.85 0.07 116.25 119.43 1sn6 h VAL 7 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1sn6 h VAL 7 Cb 0.20 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 1sn6 h VAL 7 CO -0.00 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.85 1sn6 h GLU 9 N 0.47 0.27 0.00 0.00 4.81 -0.83 0.22 114.58 119.53 1sn6 h GLU 9 Ca 0.32 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1sn6 h GLU 9 Cb 0.37 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1sn6 h GLU 9 CO -0.29 0.18 -0.25 0.35 -0.73 0.00 0.00 179.01 178.27 1sn6 h PHE 10 N 0.28 0.00 0.06 0.92 3.57 -0.47 -2.85 116.94 118.45 1sn6 h PHE 10 Ca 0.30 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.49 1sn6 h PHE 10 Cb 0.79 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 1sn6 h PHE 10 CO -0.00 0.00 -1.72 1.28 -2.23 0.00 0.00 178.31 175.64 1sn6 n LEU 11 N -2.90 2.29 0.15 0.59 4.77 0.51 -2.70 117.00 119.71 1sn6 n LEU 11 Ca 0.03 0.30 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 1sn6 n LEU 11 Cb 0.52 -1.04 0.20 0.00 -2.33 0.00 0.00 43.42 40.77 1sn6 n LEU 11 CO 0.35 0.60 0.54 -0.37 -1.33 0.00 0.00 177.39 177.18 1sn6 h VAL 12 N -0.44 1.12 0.21 4.08 -1.51 -0.93 -1.84 116.25 116.94 1sn6 h VAL 12 Ca -0.41 -1.99 -0.34 0.00 -1.23 0.00 0.00 66.70 62.73 1sn6 h VAL 12 Cb 1.70 2.16 0.02 0.00 -2.13 0.00 0.00 31.29 33.03 1sn6 h VAL 12 CO -0.07 0.52 -1.63 0.50 -1.23 0.00 0.00 177.57 175.66 1sn6 h LYS 13 N 0.00 0.43 0.39 5.19 3.64 -1.68 -3.01 116.57 121.54 1sn6 h LYS 13 Ca -0.01 -0.74 -0.02 0.00 -1.27 0.00 0.00 60.65 58.61 1sn6 h LYS 13 Cb 1.11 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1sn6 h LYS 13 CO 0.07 1.35 -0.19 1.49 -2.27 0.00 0.00 179.45 179.90 1sn6 h GLU 14 N 0.12 -0.50 -0.95 1.90 4.57 -1.53 -2.83 114.58 115.36 1sn6 h GLU 14 Ca -0.30 0.03 0.26 0.00 -1.18 0.00 0.00 59.36 58.17 1sn6 h GLU 14 Cb 2.12 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 30.69 1sn6 h GLU 14 CO 0.21 -0.20 0.46 -0.24 -1.18 0.00 0.00 179.01 178.07 1sn6 h VAL 15 N -0.96 0.41 -0.60 0.32 3.04 -1.50 0.79 116.25 117.75 1sn6 h VAL 15 Ca -0.05 -0.13 0.10 0.00 -1.01 0.00 0.00 66.70 65.61 1sn6 h VAL 15 Cb 0.54 -0.01 -0.08 0.00 -2.01 0.00 0.00 31.29 29.73 1sn6 h VAL 15 CO 0.09 0.07 0.17 0.71 -1.01 0.00 0.00 177.57 177.60 1sn6 h THR 16 N 0.38 0.70 -0.97 3.17 1.35 -1.38 0.94 112.91 117.12 1sn6 h THR 16 Ca 0.63 -0.11 0.24 0.00 -0.55 0.00 0.00 66.41 66.62 1sn6 h THR 16 Cb 1.29 0.35 -0.12 0.00 -1.73 0.00 0.00 68.15 67.94 1sn6 h THR 16 CO -0.56 0.06 0.53 0.11 -0.25 0.00 0.00 175.52 175.40 1sn6 h LYS 17 N 0.32 0.51 0.16 4.72 1.79 0.85 2.76 116.57 127.68 1sn6 h LYS 17 Ca 0.31 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 58.40 1sn6 h LYS 17 Cb 0.42 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1sn6 h LYS 17 CO -0.36 0.33 -1.75 1.37 -1.08 0.00 0.00 179.45 177.97 1sn6 h LEU 18 N 0.52 0.55 -0.59 2.94 8.10 -0.77 -3.28 115.31 122.78 1sn6 h LEU 18 Ca 0.61 -0.93 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1sn6 h LEU 18 Cb 1.16 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 1sn6 h LEU 18 CO -0.49 1.78 0.00 -0.38 -4.11 0.00 0.00 178.44 175.24 1sn6 n ILE 19 N -3.63 0.85 -0.32 0.15 5.41 0.30 -2.82 119.36 119.31 1sn6 n ILE 19 Ca -0.26 0.23 0.24 0.00 1.00 0.00 0.00 62.75 63.95 1sn6 n ILE 19 Cb 1.04 -1.13 0.44 0.00 -0.71 0.00 0.00 39.64 39.28 1sn6 n ILE 19 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1sn6 n ASP 20 N -2.13 0.14 -0.41 4.38 2.03 0.91 -3.47 116.55 118.00 1sn6 n ASP 20 Ca 0.02 1.61 0.00 0.00 0.52 0.00 0.00 54.79 56.94 1sn6 n ASP 20 Cb 0.22 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 1sn6 n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1sn6 n ASN 21 N -5.28 0.00 -0.08 1.67 3.02 -1.24 -4.92 115.26 108.43 1sn6 n ASN 21 Ca 0.30 -1.12 -0.21 0.00 -0.03 0.00 0.00 54.58 53.52 1sn6 n ASN 21 Cb 1.02 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 40.05 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sn6 n ASN 22 N 0.00 2.01 -4.54 6.41 5.03 -1.13 -4.74 115.26 118.31 1sn6 n ASN 22 Ca 0.00 0.11 -0.43 0.00 0.87 0.00 0.00 54.58 55.13 1sn6 n ASN 22 Cb 0.52 -0.68 -0.04 0.00 -1.02 0.00 0.00 39.78 38.56 1sn6 n ASN 22 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1sn6 s LYS 23 N -2.51 3.35 0.09 3.52 2.36 -1.25 -5.01 119.74 120.29 1sn6 s LYS 23 Ca -0.31 -0.16 0.01 0.00 -2.55 0.00 0.00 55.97 52.96 1sn6 s LYS 23 Cb 0.09 -4.07 0.01 0.00 -1.05 0.00 0.00 37.83 32.81 1sn6 s LYS 23 CO 0.64 -1.63 0.11 0.25 1.55 0.00 0.00 175.35 176.27 1sn6 n THR 24 N 6.32 0.00 0.82 3.43 -2.24 -1.26 -4.96 114.28 116.40 1sn6 n THR 24 Ca 0.03 -0.32 0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1sn6 n THR 24 Cb 0.48 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 1sn6 n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sn6 n GLU 25 N -1.05 1.44 0.10 -0.78 1.02 -1.26 -4.17 120.64 115.94 1sn6 n GLU 25 Ca 0.02 -0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 56.25 1sn6 n GLU 25 Cb 0.10 -1.35 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 1sn6 n GLU 25 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1sn6 h LYS 26 N 1.60 0.41 0.00 3.49 1.57 -1.99 -2.61 116.57 119.04 1sn6 h LYS 26 Ca 0.00 -0.69 -0.00 0.00 -1.87 0.00 0.00 60.65 58.09 1sn6 h LYS 26 Cb 0.58 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1sn6 h LYS 26 CO 0.00 1.31 -0.00 1.49 -0.57 0.00 0.00 179.45 181.68 1sn6 h GLU 27 N 0.11 0.00 0.00 3.15 4.81 -1.99 -2.89 114.58 117.77 1sn6 h GLU 27 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1sn6 h GLU 27 Cb 2.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.48 1sn6 h GLU 27 CO 0.22 0.00 0.00 -0.89 -0.73 0.00 0.00 179.01 177.61 1sn6 n ILE 28 N -3.10 0.00 -0.38 2.32 2.08 -1.21 -2.66 119.36 116.41 1sn6 n ILE 28 Ca 0.01 0.32 0.38 0.00 0.56 0.00 0.00 62.75 64.02 1sn6 n ILE 28 Cb 0.35 -1.08 0.74 0.00 -0.75 0.00 0.00 39.64 38.90 1sn6 n ILE 28 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1sn6 h LEU 29 N 0.00 0.00 -0.12 1.39 3.38 -1.62 1.74 115.31 120.08 1sn6 h LEU 29 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1sn6 h LEU 29 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sn6 h LEU 29 CO 0.00 0.00 -0.28 0.44 0.09 0.00 0.00 178.44 178.69 1sn6 h ASP 30 N 0.00 0.46 -0.34 -0.43 5.19 -1.67 -3.03 116.42 116.60 1sn6 h ASP 30 Ca 0.63 -0.57 -0.06 0.00 -0.62 0.00 0.00 57.03 56.40 1sn6 h ASP 30 Cb 2.63 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 41.98 1sn6 h ASP 30 CO -0.01 0.95 0.01 0.00 -3.12 0.00 0.00 179.24 177.07 1sn6 h ALA 31 N 0.52 1.20 -0.92 3.45 0.00 0.26 -2.14 119.26 121.63 1sn6 h ALA 31 Ca -0.00 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1sn6 h ALA 31 Cb 0.89 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1sn6 h ALA 31 CO 0.06 0.53 0.59 0.74 0.00 0.00 0.00 179.25 181.17 1sn6 h PHE 32 N 0.66 1.03 0.00 0.00 0.04 -0.33 2.84 116.94 121.18 1sn6 h PHE 32 Ca 0.13 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1sn6 h PHE 32 Cb 0.40 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1sn6 h PHE 32 CO 0.02 0.48 0.00 -3.47 -0.60 0.00 0.00 178.31 174.74 1sn6 n ASP 33 N -4.53 0.14 -0.00 2.17 2.03 -0.85 -1.11 116.55 114.39 1sn6 n ASP 33 Ca 0.15 0.52 0.06 0.00 0.52 0.00 0.00 54.79 56.04 1sn6 n ASP 33 Cb 0.28 -0.55 -0.09 0.00 -0.72 0.00 0.00 41.12 40.04 1sn6 n ASP 33 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sn6 n LYS 34 N -1.64 1.45 -0.08 -0.67 4.81 0.17 -4.13 118.16 118.09 1sn6 n LYS 34 Ca 0.06 -0.07 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1sn6 n LYS 34 Cb 0.33 -1.21 -0.03 0.00 0.02 0.00 0.00 35.03 34.14 1sn6 n LYS 34 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1sn6 n MET 35 N -1.67 0.46 0.00 1.64 1.56 0.90 -4.26 117.12 115.75 1sn6 n MET 35 Ca -0.00 0.18 0.04 0.00 -0.27 0.00 0.00 57.70 57.65 1sn6 n MET 35 Cb 0.27 -1.30 0.25 0.00 2.15 0.00 0.00 33.22 34.59 1sn6 n MET 35 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1sn6 h SER 37 N 0.00 0.91 1.96 0.00 0.87 -1.72 -2.09 113.55 113.49 1sn6 h SER 37 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1sn6 h SER 37 Cb 0.00 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.72 1sn6 h SER 37 CO 0.00 0.86 0.00 0.07 -0.53 0.00 0.00 176.83 177.23 1sn6 h LYS 38 N 0.94 0.00 -6.90 2.24 2.10 -1.77 -3.46 116.57 109.73 1sn6 h LYS 38 Ca 0.21 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.30 1sn6 h LYS 38 Cb 0.29 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 31.76 1sn6 h LYS 38 CO -0.01 0.00 0.41 -0.11 -2.00 0.00 0.00 179.45 177.75 1sn6 n LEU 39 N -3.07 4.41 -4.32 7.07 7.94 -0.79 -4.91 117.00 123.34 1sn6 n LEU 39 Ca 0.04 0.97 -0.33 0.00 -1.11 0.00 0.00 56.01 55.58 1sn6 n LEU 39 Cb 0.52 -1.49 0.13 0.00 0.53 0.00 0.00 43.42 43.12 1sn6 n LEU 39 CO 0.34 -1.01 -0.41 -2.65 -1.11 0.00 0.00 177.39 172.55 1sn6 n PRO 40 N -0.64 -0.76 0.02 1.96 -0.02 -1.26 -4.61 135.00 129.70 1sn6 n PRO 40 Ca 0.10 -0.19 -0.12 0.00 -2.02 0.00 0.00 63.50 61.27 1sn6 n PRO 40 Cb 0.43 -1.71 -0.07 0.00 -0.02 0.00 0.00 33.50 32.13 1sn6 n PRO 40 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1sn6 h LYS 41 N -1.70 0.02 0.27 -0.52 3.64 -1.94 -0.84 116.57 115.50 1sn6 h LYS 41 Ca -0.47 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1sn6 h LYS 41 Cb 1.32 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1sn6 h LYS 41 CO 0.35 0.13 -0.36 0.77 -2.27 0.00 0.00 179.45 178.07 1sn6 h SER 42 N -0.10 -1.03 0.00 4.20 0.02 -2.01 -1.27 113.55 113.37 1sn6 h SER 42 Ca 0.01 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1sn6 h SER 42 Cb 0.12 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1sn6 h SER 42 CO -0.00 -0.44 0.00 0.18 -1.14 0.00 0.00 176.83 175.42 1sn6 n LEU 43 N -4.56 0.00 0.02 5.07 4.77 -1.24 -2.07 117.00 119.00 1sn6 n LEU 43 Ca -0.08 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.87 1sn6 n LEU 43 Cb 0.31 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1sn6 n LEU 43 CO 0.16 0.00 -0.28 -1.28 -1.33 0.00 0.00 177.39 174.66 1sn6 h SER 44 N 0.00 0.00 0.89 -1.43 0.87 0.01 -2.57 113.55 111.33 1sn6 h SER 44 Ca 0.00 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 1sn6 h SER 44 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1sn6 h SER 44 CO 0.00 0.75 -1.12 -0.33 -0.53 0.00 0.00 176.83 175.60 1sn6 h GLU 45 N 0.00 0.03 0.00 2.24 5.08 -0.82 -3.01 114.58 118.10 1sn6 h GLU 45 Ca -0.18 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1sn6 h GLU 45 Cb 1.73 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1sn6 h GLU 45 CO 0.07 0.97 -0.31 0.93 -1.00 0.00 0.00 179.01 179.66 1sn6 h GLU 46 N 0.01 0.00 0.13 2.33 4.39 -1.60 -2.26 114.58 117.57 1sn6 h GLU 46 Ca -0.06 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.36 1sn6 h GLU 46 Cb 1.82 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.48 1sn6 h GLU 46 CO 0.13 0.18 -1.23 0.00 -1.16 0.00 0.00 179.01 176.93 1sn6 h GLN 48 N 0.12 0.00 -0.00 0.00 1.08 -1.58 -3.09 115.11 111.63 1sn6 h GLN 48 Ca -0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1sn6 h GLN 48 Cb 1.94 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.37 1sn6 h GLN 48 CO 0.21 0.00 -0.00 1.49 -0.95 0.00 0.00 178.83 179.58 1sn6 h GLU 49 N 0.00 0.00 -0.64 1.46 4.81 -1.31 -3.00 114.58 115.90 1sn6 h GLU 49 Ca 0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1sn6 h GLU 49 Cb 0.77 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1sn6 h GLU 49 CO 0.00 0.49 0.18 0.28 -0.73 0.00 0.00 179.01 179.23 1sn6 h VAL 50 N -0.48 1.25 -0.67 0.32 2.07 -1.57 -2.78 116.25 114.40 1sn6 h VAL 50 Ca 0.00 -0.89 0.13 0.00 0.82 0.00 0.00 66.70 66.75 1sn6 h VAL 50 Cb 0.49 0.61 -0.13 0.00 -1.52 0.00 0.00 31.29 30.75 1sn6 h VAL 50 CO 0.00 0.34 -0.26 0.58 0.02 0.00 0.00 177.57 178.25 1sn6 h VAL 51 N 0.93 0.22 -0.85 2.57 2.07 -1.51 4.02 116.25 123.69 1sn6 h VAL 51 Ca 0.20 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.90 1sn6 h VAL 51 Cb 0.33 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1sn6 h VAL 51 CO -0.00 0.00 0.56 0.44 0.02 0.00 0.00 177.57 178.59 1sn6 h ASP 52 N -0.08 0.44 1.29 0.57 5.19 -1.35 0.66 116.42 123.13 1sn6 h ASP 52 Ca 0.29 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.64 1sn6 h ASP 52 Cb 0.54 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 1sn6 h ASP 52 CO -0.72 0.20 -0.74 0.74 -3.12 0.00 0.00 179.24 175.59 1sn6 h THR 53 N 0.45 0.54 -2.77 0.35 2.02 0.47 -3.40 112.91 110.57 1sn6 h THR 53 Ca 0.44 -1.84 -0.60 0.00 0.77 0.00 0.00 66.41 65.17 1sn6 h THR 53 Cb 1.01 2.14 -0.40 0.00 -1.74 0.00 0.00 68.15 69.16 1sn6 h THR 53 CO -0.16 0.31 -0.78 -0.31 0.37 0.00 0.00 175.52 174.94 1sn6 s TYR 54 N -3.04 2.09 0.00 3.16 1.51 1.13 -4.90 117.35 117.30 1sn6 s TYR 54 Ca 0.02 -2.64 0.00 0.00 -1.01 0.00 0.00 57.07 53.44 1sn6 s TYR 54 Cb 0.08 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1sn6 s TYR 54 CO 0.76 -0.73 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 1sn6 n GLY 55 N 2.81 0.43 0.37 0.71 0.00 -0.32 -4.34 105.19 104.84 1sn6 n GLY 55 Ca 0.20 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.46 1sn6 n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sn6 h SER 56 N 0.00 0.00 0.00 1.61 0.87 -1.88 -1.09 113.55 113.06 1sn6 h SER 56 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sn6 h SER 56 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1sn6 h SER 56 CO 0.00 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.10 1sn6 n SER 57 N -2.83 0.00 -0.17 6.23 7.64 -1.26 -2.85 113.62 120.37 1sn6 n SER 57 Ca 0.03 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.98 1sn6 n SER 57 Cb 0.85 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 64.18 1sn6 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sn6 n ILE 58 N -0.92 -0.21 -0.06 0.44 3.06 -1.14 0.26 119.36 120.80 1sn6 n ILE 58 Ca 0.00 1.09 -0.14 0.00 -2.50 0.00 0.00 62.75 61.20 1sn6 n ILE 58 Cb 0.00 -1.57 -0.07 0.00 0.54 0.00 0.00 39.64 38.54 1sn6 n ILE 58 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1sn6 h LEU 59 N 0.00 0.55 -1.14 9.51 3.38 -1.41 -3.21 115.31 122.98 1sn6 h LEU 59 Ca 0.28 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1sn6 h LEU 59 Cb 0.55 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sn6 h LEU 59 CO -0.47 0.97 0.00 -0.24 0.09 0.00 0.00 178.44 178.79 1sn6 n SER 60 N -4.38 1.77 -0.03 -0.43 2.88 0.71 -4.41 113.62 109.73 1sn6 n SER 60 Ca -0.06 -1.60 -0.01 0.00 -1.33 0.00 0.00 58.87 55.88 1sn6 n SER 60 Cb 0.46 -0.01 -0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1sn6 n SER 60 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1sn6 h ILE 61 N 2.76 0.00 0.00 2.46 -0.00 0.35 -3.28 117.51 119.81 1sn6 h ILE 61 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 64.86 64.33 1sn6 h ILE 61 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.41 1sn6 h ILE 61 CO 0.00 0.00 0.12 0.18 -0.00 0.00 0.00 178.15 178.45 1sn6 n LEU 62 N -3.49 0.00 -0.07 2.19 4.77 -1.24 -1.85 117.00 117.31 1sn6 n LEU 62 Ca -0.01 0.16 -0.09 0.00 -0.03 0.00 0.00 56.01 56.04 1sn6 n LEU 62 Cb 0.04 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1sn6 n LEU 62 CO 0.02 -0.16 -0.21 -0.07 -1.33 0.00 0.00 177.39 175.63 1sn6 h LEU 63 N 0.00 0.00 0.00 2.23 -0.00 -1.77 -3.44 115.31 112.33 1sn6 h LEU 63 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1sn6 h LEU 63 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1sn6 h LEU 63 CO 0.00 0.91 -0.17 -0.62 -0.00 0.00 0.00 178.44 178.56 1sn6 n GLU 64 N -4.61 0.00 0.19 1.13 1.02 -0.77 -4.78 120.64 112.81 1sn6 n GLU 64 Ca -0.12 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1sn6 n GLU 64 Cb 0.33 -0.20 0.12 0.00 -0.02 0.00 0.00 31.44 31.68 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sn6 h GLU 65 N 0.00 0.00 -3.16 3.49 5.08 -1.71 -3.35 114.58 114.93 1sn6 h GLU 65 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1sn6 h GLU 65 Cb 0.17 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.11 1sn6 h GLU 65 CO 0.00 0.00 -0.55 0.54 -1.00 0.00 0.00 179.01 178.00 1sn6 s VAL 66 N -3.21 -0.04 0.54 3.13 0.11 -1.18 -5.04 120.40 114.70 1sn6 s VAL 66 Ca -0.00 0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.03 1sn6 s VAL 66 Cb 0.01 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.50 1sn6 s VAL 66 CO 0.04 0.06 1.05 -0.44 -3.33 0.00 0.00 175.10 172.48 1sn6 s SER 67 N 1.16 6.09 0.17 3.54 0.01 -1.26 -4.50 113.70 118.91 1sn6 s SER 67 Ca -0.09 1.86 -0.15 0.00 1.31 0.00 0.00 55.95 58.88 1sn6 s SER 67 Cb -0.11 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.69 1sn6 s SER 67 CO -0.07 -0.95 1.72 1.55 0.41 0.00 0.00 173.24 175.90 1sn6 h PRO 68 N 0.99 0.20 -0.31 12.44 0.13 -1.86 -2.15 132.00 141.44 1sn6 h PRO 68 Ca -0.48 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1sn6 h PRO 68 Cb 1.22 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1sn6 h PRO 68 CO 0.58 0.13 0.14 1.05 -0.23 0.00 0.00 178.00 179.68 1sn6 h GLU 69 N 0.20 0.42 -0.12 0.86 4.11 -1.90 -2.59 114.58 115.57 1sn6 h GLU 69 Ca 0.20 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.57 1sn6 h GLU 69 Cb 0.24 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1sn6 h GLU 69 CO -0.26 0.34 0.03 1.25 0.07 0.00 0.00 179.01 180.43 1sn6 h LEU 70 N 0.43 0.19 -0.67 3.06 5.85 -1.77 -3.02 115.31 119.38 1sn6 h LEU 70 Ca 0.11 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.69 1sn6 h LEU 70 Cb 0.06 -0.05 -0.12 0.00 0.37 0.00 0.00 40.66 40.92 1sn6 h LEU 70 CO -0.01 0.38 -0.44 0.58 -0.34 0.00 0.00 178.44 178.61 1sn6 h VAL 71 N -0.01 0.07 -1.07 1.05 2.07 -1.24 2.02 116.25 119.14 1sn6 h VAL 71 Ca 0.04 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.85 1sn6 h VAL 71 Cb 0.26 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1sn6 h VAL 71 CO 0.00 0.00 0.73 0.00 0.02 0.00 0.00 177.57 178.32 1sn6 h SER 73 N 0.18 -0.21 -0.64 0.00 0.02 0.31 -2.10 113.55 111.12 1sn6 h SER 73 Ca 0.55 -0.27 0.11 0.00 -0.84 0.00 0.00 61.79 61.35 1sn6 h SER 73 Cb 1.82 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 64.33 1sn6 h SER 73 CO -0.14 0.34 0.19 0.24 -1.14 0.00 0.00 176.83 176.32 1sn6 h MET 74 N -0.95 0.33 0.00 3.45 2.86 0.16 0.65 114.93 121.43 1sn6 h MET 74 Ca -0.03 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1sn6 h MET 74 Cb 0.47 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1sn6 h MET 74 CO 0.04 0.22 -0.02 -0.07 1.06 0.00 0.00 176.91 178.14 1sn6 h LEU 75 N 0.34 0.00 -1.28 1.22 3.38 0.19 -3.45 115.31 115.71 1sn6 h LEU 75 Ca 0.34 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.71 1sn6 h LEU 75 Cb 0.48 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.95 1sn6 h LEU 75 CO -0.38 0.02 -0.88 1.41 0.09 0.00 0.00 178.44 178.69 1sn6 n HIS 76 N -4.08 -1.42 0.54 1.13 8.25 0.23 -4.77 115.22 115.10 1sn6 n HIS 76 Ca -0.03 0.73 0.13 0.00 -0.26 0.00 0.00 57.72 58.29 1sn6 n HIS 76 Cb 0.10 -2.46 0.44 0.00 1.12 0.00 0.00 29.99 29.19 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1sn6 n LEU 77 N -4.25 0.78 0.33 2.41 -0.00 -1.26 -3.62 117.00 111.40 1sn6 n LEU 77 Ca 0.04 0.61 -0.16 0.00 -0.00 0.00 0.00 56.01 56.50 1sn6 n LEU 77 Cb 0.50 -0.41 -0.08 0.00 -0.00 0.00 0.00 43.42 43.43 1sn6 n LEU 77 CO 0.91 -0.32 0.54 0.00 -0.00 0.00 0.00 177.39 178.51 1sn6 n SER 79 N -5.39 1.43 0.06 0.00 7.64 -1.24 -4.66 113.62 111.47 1sn6 n SER 79 Ca -0.12 -1.50 -0.10 0.00 1.01 0.00 0.00 58.87 58.16 1sn6 n SER 79 Cb 0.36 -1.56 -0.13 0.00 -1.01 0.00 0.00 64.21 61.87 1sn6 n SER 79 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1sn6 h GLY 80 N 21.46 0.09 -0.19 0.23 0.00 -1.88 -3.46 103.07 119.31 1sn6 h GLY 80 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 46.95 1sn6 h GLY 80 CO 1.06 0.19 -0.09 1.47 0.00 0.00 0.00 176.54 179.17 1sn6 n LEU 81 N -3.37 0.00 -4.71 3.11 -0.00 -1.26 -5.08 117.00 105.68 1sn6 n LEU 81 Ca -0.04 -0.80 -0.42 0.00 -0.00 0.00 0.00 56.01 54.75 1sn6 n LEU 81 Cb 0.97 0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 44.37 1sn6 n LEU 81 CO 0.49 -0.29 0.64 0.68 -0.00 0.00 0.00 177.39 178.90 1sn6 s VAL 82 N -0.91 4.86 -0.43 1.47 -7.23 -1.26 -4.90 120.40 112.01 1sn6 s VAL 82 Ca 0.07 1.97 -0.41 0.00 -1.81 0.00 0.00 61.98 61.80 1sn6 s VAL 82 Cb -0.01 -4.28 -0.16 0.00 0.56 0.00 0.00 36.38 32.49 1sn6 s VAL 82 CO 0.04 0.19 2.05 -2.65 -0.31 0.00 0.00 175.10 174.42 1sn6 n PRO 83 N 3.78 0.48 0.00 4.82 -0.02 -1.26 -5.18 135.00 137.61 1sn6 n PRO 83 Ca 0.05 0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1sn6 n PRO 83 Cb 0.51 -1.88 0.88 0.00 -0.02 0.00 0.00 33.50 32.99 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02