#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 3.50 -0.06 6.43 9.92 -1.26 -4.44 116.55 130.64 1sn6 n ASP 2 Ca 0.00 -2.70 -0.07 0.00 -0.53 0.00 0.00 54.79 51.49 1sn6 n ASP 2 Cb 0.00 -1.33 -0.02 0.00 -0.64 0.00 0.00 41.12 39.13 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 5.41 1.32 0.33 2.53 0.31 -1.26 -4.33 118.33 122.64 1sn6 n VAL 3 Ca 0.51 0.20 0.15 0.00 -0.01 0.00 0.00 64.34 65.20 1sn6 n VAL 3 Cb 0.37 -2.16 0.63 0.00 -0.91 0.00 0.00 33.84 31.76 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 -0.77 0.00 -0.28 3.52 -1.99 -1.87 -1.97 116.97 113.62 1sn6 h TYR 4 Ca 0.00 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.61 1sn6 h TYR 4 Cb 0.77 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.50 1sn6 h TYR 4 CO -0.33 0.00 -0.29 0.00 -0.00 0.00 0.00 178.16 177.54 1sn6 h GLU 6 N 0.42 0.05 0.00 0.00 4.39 -1.70 -2.96 114.58 114.77 1sn6 h GLU 6 Ca 0.04 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.67 1sn6 h GLU 6 Cb 0.86 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 1sn6 h GLU 6 CO 0.07 1.04 -0.19 0.28 -1.16 0.00 0.00 179.01 179.05 1sn6 h VAL 7 N -0.90 0.00 -0.83 3.13 2.07 -1.46 0.12 116.25 118.39 1sn6 h VAL 7 Ca -0.04 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.67 1sn6 h VAL 7 Cb 1.12 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.77 1sn6 h VAL 7 CO 0.02 0.00 0.30 0.00 0.02 0.00 0.00 177.57 177.90 1sn6 h GLU 9 N 0.35 0.95 0.00 0.00 4.81 -1.08 0.13 114.58 119.74 1sn6 h GLU 9 Ca 0.49 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1sn6 h GLU 9 Cb 0.88 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1sn6 h GLU 9 CO -0.52 0.63 0.00 0.35 -0.73 0.00 0.00 179.01 178.74 1sn6 h PHE 10 N 0.98 0.00 0.00 0.92 3.57 0.22 -2.88 116.94 119.75 1sn6 h PHE 10 Ca 0.37 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.73 1sn6 h PHE 10 Cb 0.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1sn6 h PHE 10 CO -0.00 0.00 -0.93 -0.07 -2.23 0.00 0.00 178.31 175.07 1sn6 h LEU 11 N 0.00 0.00 -2.01 0.59 3.38 0.29 -2.88 115.31 114.68 1sn6 h LEU 11 Ca 0.00 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1sn6 h LEU 11 Cb 0.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1sn6 h LEU 11 CO 0.00 1.21 -0.08 -0.37 0.09 0.00 0.00 178.44 179.29 1sn6 h VAL 12 N -1.00 0.80 0.16 1.22 -1.51 -0.96 0.49 116.25 115.45 1sn6 h VAL 12 Ca -0.22 -0.30 -0.31 0.00 -1.23 0.00 0.00 66.70 64.64 1sn6 h VAL 12 Cb 1.01 1.18 0.01 0.00 -2.13 0.00 0.00 31.29 31.35 1sn6 h VAL 12 CO -0.13 0.08 -1.45 0.50 -1.23 0.00 0.00 177.57 175.34 1sn6 h LYS 13 N 0.00 0.33 0.10 5.19 3.64 -1.66 -2.99 116.57 121.18 1sn6 h LYS 13 Ca -0.00 -0.57 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1sn6 h LYS 13 Cb 0.17 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sn6 h LYS 13 CO 0.01 1.24 -0.05 1.49 -2.27 0.00 0.00 179.45 179.87 1sn6 h GLU 14 N 0.09 -0.13 -0.99 1.90 4.57 -1.18 -2.82 114.58 116.02 1sn6 h GLU 14 Ca -0.22 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.17 1sn6 h GLU 14 Cb 2.04 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 30.56 1sn6 h GLU 14 CO 0.20 0.38 0.62 -0.24 -1.18 0.00 0.00 179.01 178.79 1sn6 h VAL 15 N -0.75 0.68 -0.40 0.32 3.04 -1.07 0.40 116.25 118.48 1sn6 h VAL 15 Ca -0.01 -0.22 0.06 0.00 -1.01 0.00 0.00 66.70 65.52 1sn6 h VAL 15 Cb 0.56 -0.03 -0.06 0.00 -2.01 0.00 0.00 31.29 29.76 1sn6 h VAL 15 CO 0.02 0.12 0.07 0.71 -1.01 0.00 0.00 177.57 177.48 1sn6 h THR 16 N 0.66 0.78 -1.22 3.17 1.35 -1.40 1.04 112.91 117.28 1sn6 h THR 16 Ca 0.56 -0.07 0.36 0.00 -0.55 0.00 0.00 66.41 66.71 1sn6 h THR 16 Cb 1.02 0.57 -0.09 0.00 -1.73 0.00 0.00 68.15 67.92 1sn6 h THR 16 CO -0.33 0.04 0.82 0.11 -0.25 0.00 0.00 175.52 175.91 1sn6 h LYS 17 N 0.19 0.17 0.00 4.72 1.57 0.06 3.11 116.57 126.39 1sn6 h LYS 17 Ca 0.19 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 1sn6 h LYS 17 Cb 0.24 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1sn6 h LYS 17 CO -0.26 0.11 -1.17 1.28 -0.57 0.00 0.00 179.45 178.83 1sn6 n LEU 18 N -4.47 1.87 0.18 2.94 4.77 0.31 -3.96 117.00 118.63 1sn6 n LEU 18 Ca 0.30 0.47 0.18 0.00 -0.03 0.00 0.00 56.01 56.94 1sn6 n LEU 18 Cb 1.21 -0.89 0.78 0.00 -2.33 0.00 0.00 43.42 42.19 1sn6 n LEU 18 CO 0.30 0.01 1.16 0.40 -1.33 0.00 0.00 177.39 177.92 1sn6 h ILE 19 N -1.00 0.26 -0.39 -0.08 2.04 0.18 0.46 117.51 118.97 1sn6 h ILE 19 Ca -0.25 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1sn6 h ILE 19 Cb 1.05 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.71 1sn6 h ILE 19 CO -0.15 0.00 -0.48 -0.78 0.00 0.00 0.00 178.15 176.74 1sn6 h ASP 20 N 0.00 -1.61 -0.25 1.72 3.58 0.55 -3.37 116.42 117.05 1sn6 h ASP 20 Ca 0.12 0.23 -0.23 0.00 0.42 0.00 0.00 57.03 57.57 1sn6 h ASP 20 Cb 0.90 0.68 -0.24 0.00 1.72 0.00 0.00 39.33 42.39 1sn6 h ASP 20 CO -0.00 -0.39 -0.60 0.59 -2.88 0.00 0.00 179.24 175.96 1sn6 n ASN 21 N -5.40 -0.60 -0.13 2.28 4.13 -0.77 -4.93 115.26 109.83 1sn6 n ASN 21 Ca -0.02 -2.35 -0.24 0.00 1.68 0.00 0.00 54.58 53.65 1sn6 n ASN 21 Cb 0.35 0.39 -0.11 0.00 -1.54 0.00 0.00 39.78 38.88 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1sn6 n ASN 22 N -0.82 1.97 -4.37 6.41 5.03 0.08 -4.87 115.26 118.69 1sn6 n ASN 22 Ca -0.04 0.11 -0.36 0.00 0.87 0.00 0.00 54.58 55.16 1sn6 n ASN 22 Cb 0.85 -0.61 -0.13 0.00 -1.02 0.00 0.00 39.78 38.86 1sn6 n ASN 22 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1sn6 s LYS 23 N -2.50 3.40 0.02 3.52 0.00 -1.26 -5.08 119.74 117.85 1sn6 s LYS 23 Ca -0.36 -0.63 -0.00 0.00 0.00 0.00 0.00 55.97 54.97 1sn6 s LYS 23 Cb 0.12 -3.23 0.01 0.00 0.00 0.00 0.00 37.83 34.72 1sn6 s LYS 23 CO 0.53 -0.26 0.03 0.25 0.00 0.00 0.00 175.35 175.90 1sn6 n THR 24 N 4.86 0.00 0.52 3.79 -2.24 -1.26 -5.00 114.28 114.95 1sn6 n THR 24 Ca -0.16 -0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1sn6 n THR 24 Cb 0.50 -1.87 -0.13 0.00 -2.10 0.00 0.00 70.33 66.73 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 -1.07 0.61 0.05 -0.78 1.02 -1.26 -3.92 120.64 115.30 1sn6 n GLU 25 Ca 0.00 -0.08 -0.15 0.00 -0.02 0.00 0.00 57.16 56.92 1sn6 n GLU 25 Cb 0.02 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.00 0.50 0.00 3.49 1.57 -1.98 0.10 116.57 120.26 1sn6 h LYS 26 Ca 0.00 -0.52 -0.08 0.00 -1.87 0.00 0.00 60.65 58.17 1sn6 h LYS 26 Cb 0.65 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1sn6 h LYS 26 CO 0.00 1.16 -0.40 1.49 -0.57 0.00 0.00 179.45 181.13 1sn6 h GLU 27 N 0.29 0.00 0.00 3.15 4.81 -1.97 -2.67 114.58 118.19 1sn6 h GLU 27 Ca -0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1sn6 h GLU 27 Cb 1.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.96 1sn6 h GLU 27 CO 0.17 0.40 0.00 -0.89 -0.73 0.00 0.00 179.01 177.96 1sn6 n ILE 28 N -3.79 0.00 0.27 2.32 2.08 -1.07 -2.75 119.36 116.41 1sn6 n ILE 28 Ca -0.01 0.40 0.08 0.00 0.56 0.00 0.00 62.75 63.78 1sn6 n ILE 28 Cb 0.47 -1.20 0.31 0.00 -0.75 0.00 0.00 39.64 38.47 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 0.03 1.39 3.38 -1.10 1.30 115.31 120.30 1sn6 h LEU 29 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 -0.01 0.44 0.09 0.00 0.00 178.44 178.96 1sn6 h ASP 30 N 0.00 -0.03 -0.99 -0.43 5.19 -1.56 -2.62 116.42 115.98 1sn6 h ASP 30 Ca 0.06 -0.68 0.17 0.00 -0.62 0.00 0.00 57.03 55.96 1sn6 h ASP 30 Cb 1.68 0.01 -0.10 0.00 0.18 0.00 0.00 39.33 41.10 1sn6 h ASP 30 CO -0.00 0.70 0.62 0.00 -3.12 0.00 0.00 179.24 177.43 1sn6 h ALA 31 N 0.10 1.68 0.00 3.45 0.00 0.18 1.18 119.26 125.85 1sn6 h ALA 31 Ca -0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1sn6 h ALA 31 Cb 0.70 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1sn6 h ALA 31 CO 0.01 -0.01 -0.21 0.74 0.00 0.00 0.00 179.25 179.78 1sn6 h PHE 32 N 0.80 0.00 -0.02 0.00 0.04 -1.33 1.30 116.94 117.74 1sn6 h PHE 32 Ca 0.54 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.31 1sn6 h PHE 32 Cb 0.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1sn6 h PHE 32 CO -0.00 0.21 0.00 -0.25 -0.60 0.00 0.00 178.31 177.66 1sn6 n ASP 33 N -4.04 0.54 0.00 2.17 9.92 0.39 -3.05 116.55 122.48 1sn6 n ASP 33 Ca -0.02 -1.25 0.00 0.00 -0.53 0.00 0.00 54.79 52.99 1sn6 n ASP 33 Cb 0.28 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sn6 n LYS 34 N -0.55 0.00 -0.05 -1.24 5.02 0.62 -4.50 118.16 117.46 1sn6 n LYS 34 Ca 0.21 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.42 1sn6 n LYS 34 Cb 0.19 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.17 1sn6 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1sn6 h MET 35 N 0.00 0.02 -0.68 1.97 1.85 0.13 0.12 114.93 118.33 1sn6 h MET 35 Ca 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1sn6 h MET 35 Cb 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1sn6 h MET 35 CO 0.00 0.01 0.00 0.00 -0.40 0.00 0.00 176.91 176.52 1sn6 n SER 37 N 0.09 1.83 0.23 0.00 2.88 0.41 -4.05 113.62 115.00 1sn6 n SER 37 Ca 0.06 0.21 0.13 0.00 -1.33 0.00 0.00 58.87 57.93 1sn6 n SER 37 Cb 0.36 -0.62 0.27 0.00 -0.75 0.00 0.00 64.21 63.46 1sn6 n SER 37 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1sn6 h LYS 38 N 0.05 0.00 -6.18 -1.46 2.10 -1.59 -3.46 116.57 106.03 1sn6 h LYS 38 Ca -0.42 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.61 1sn6 h LYS 38 Cb 2.02 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 33.50 1sn6 h LYS 38 CO 0.07 0.00 -0.61 -0.11 -2.00 0.00 0.00 179.45 176.80 1sn6 n LEU 39 N -3.10 -1.18 -4.68 7.07 7.94 -1.26 -4.77 117.00 117.02 1sn6 n LEU 39 Ca 0.03 0.90 -0.44 0.00 -1.11 0.00 0.00 56.01 55.39 1sn6 n LEU 39 Cb 0.49 -1.01 -0.02 0.00 0.53 0.00 0.00 43.42 43.40 1sn6 n LEU 39 CO 0.33 -3.36 1.04 -2.65 -1.11 0.00 0.00 177.39 171.63 1sn6 n PRO 40 N 0.91 2.14 -0.30 1.96 -0.02 -1.26 -4.51 135.00 133.92 1sn6 n PRO 40 Ca 0.12 0.76 -0.08 0.00 -2.02 0.00 0.00 63.50 62.28 1sn6 n PRO 40 Cb 0.38 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 1sn6 n PRO 40 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sn6 n LYS 41 N 1.93 -0.31 -0.12 -0.52 4.81 -1.26 0.30 118.16 122.98 1sn6 n LYS 41 Ca 0.11 1.08 -0.09 0.00 -0.87 0.00 0.00 58.31 58.53 1sn6 n LYS 41 Cb 0.33 -1.58 -0.07 0.00 0.02 0.00 0.00 35.03 33.72 1sn6 n LYS 41 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1sn6 h SER 42 N 0.00 -1.34 0.00 3.14 0.87 -2.00 0.51 113.55 114.73 1sn6 h SER 42 Ca 0.12 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1sn6 h SER 42 Cb 0.30 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1sn6 h SER 42 CO -0.67 -0.27 0.00 0.18 -0.53 0.00 0.00 176.83 175.54 1sn6 n LEU 43 N -4.57 0.00 -0.03 2.23 4.77 -0.35 -2.68 117.00 116.36 1sn6 n LEU 43 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1sn6 n LEU 43 Cb 0.23 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1sn6 n LEU 43 CO -0.01 0.00 -0.62 -1.54 -1.33 0.00 0.00 177.39 173.89 1sn6 n SER 44 N -0.99 0.82 0.13 -1.43 3.41 0.15 -1.83 113.62 113.88 1sn6 n SER 44 Ca 0.20 0.36 0.01 0.00 -0.26 0.00 0.00 58.87 59.18 1sn6 n SER 44 Cb 0.09 0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1sn6 n SER 44 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1sn6 h GLU 45 N 0.00 0.00 0.00 4.33 4.11 -0.50 -1.67 114.58 120.85 1sn6 h GLU 45 Ca -0.32 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.92 1sn6 h GLU 45 Cb 2.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 1sn6 h GLU 45 CO 0.07 0.57 -1.18 0.93 0.07 0.00 0.00 179.01 179.48 1sn6 h GLU 46 N 0.00 0.00 0.00 1.06 5.08 -1.62 -1.92 114.58 117.18 1sn6 h GLU 46 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1sn6 h GLU 46 Cb 1.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1sn6 h GLU 46 CO 0.07 0.54 -0.52 0.00 -1.00 0.00 0.00 179.01 178.10 1sn6 n GLN 48 N -3.12 0.63 -0.04 0.00 1.13 -0.64 -2.92 117.38 112.41 1sn6 n GLN 48 Ca 0.01 0.19 -0.13 0.00 -1.94 0.00 0.00 57.00 55.13 1sn6 n GLN 48 Cb 0.69 -1.78 -0.08 0.00 0.11 0.00 0.00 30.24 29.18 1sn6 n GLN 48 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1sn6 h GLU 49 N 0.00 0.20 -0.47 -1.09 4.81 -1.34 -3.04 114.58 113.65 1sn6 h GLU 49 Ca -0.18 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1sn6 h GLU 49 Cb 1.60 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 1sn6 h GLU 49 CO 0.04 0.62 0.13 -0.24 -0.73 0.00 0.00 179.01 178.83 1sn6 h VAL 50 N -0.22 1.23 -0.67 0.32 3.04 -1.59 -3.01 116.25 115.36 1sn6 h VAL 50 Ca 0.01 -0.80 0.06 0.00 -1.01 0.00 0.00 66.70 64.97 1sn6 h VAL 50 Cb 0.58 0.86 -0.08 0.00 -2.01 0.00 0.00 31.29 30.63 1sn6 h VAL 50 CO 0.02 0.29 -0.44 0.58 -1.01 0.00 0.00 177.57 177.01 1sn6 h VAL 51 N 0.63 0.00 -1.10 1.51 2.07 -1.48 3.95 116.25 121.83 1sn6 h VAL 51 Ca 0.15 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.97 1sn6 h VAL 51 Cb 0.30 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.98 1sn6 h VAL 51 CO -0.00 0.00 0.72 -0.78 0.02 0.00 0.00 177.57 177.53 1sn6 h ASP 52 N -0.05 0.35 1.38 0.57 3.58 -1.46 1.92 116.42 122.72 1sn6 h ASP 52 Ca 0.11 0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 1sn6 h ASP 52 Cb 0.33 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 1sn6 h ASP 52 CO -0.66 0.03 -0.63 0.74 -2.88 0.00 0.00 179.24 175.84 1sn6 h THR 53 N 0.29 0.81 -2.17 2.25 2.02 0.47 -3.38 112.91 113.20 1sn6 h THR 53 Ca 0.62 -2.18 -0.58 0.00 0.77 0.00 0.00 66.41 65.04 1sn6 h THR 53 Cb 1.78 2.37 -0.40 0.00 -1.74 0.00 0.00 68.15 70.15 1sn6 h THR 53 CO -0.27 0.46 -0.87 -1.22 0.37 0.00 0.00 175.52 173.99 1sn6 n TYR 54 N -3.17 1.29 0.04 3.16 4.02 1.11 -4.81 117.16 118.79 1sn6 n TYR 54 Ca 0.00 -3.81 0.00 0.00 -0.01 0.00 0.00 57.90 54.09 1sn6 n TYR 54 Cb 0.75 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 1sn6 n TYR 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sn6 n GLY 55 N 1.36 -0.09 0.10 2.72 0.00 0.12 -4.46 105.19 104.94 1sn6 n GLY 55 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1sn6 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sn6 n SER 56 N -2.80 0.78 -0.00 1.61 3.41 -1.26 -4.03 113.62 111.32 1sn6 n SER 56 Ca 0.00 0.31 -0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1sn6 n SER 56 Cb 0.01 0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1sn6 n SER 56 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sn6 h SER 57 N 0.00 0.00 -0.49 4.04 0.02 -1.90 -2.92 113.55 112.31 1sn6 h SER 57 Ca -0.06 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.02 1sn6 h SER 57 Cb 1.20 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.64 1sn6 h SER 57 CO 0.01 0.03 -0.00 0.00 -1.14 0.00 0.00 176.83 175.73 1sn6 n ILE 58 N -2.32 -0.20 0.08 3.27 3.06 -1.26 0.29 119.36 122.27 1sn6 n ILE 58 Ca -0.00 1.08 -0.19 0.00 -2.50 0.00 0.00 62.75 61.13 1sn6 n ILE 58 Cb 0.01 -1.56 -0.10 0.00 0.54 0.00 0.00 39.64 38.52 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 0.74 -1.50 9.51 3.38 -1.75 -3.29 115.31 122.41 1sn6 h LEU 59 Ca 0.29 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1sn6 h LEU 59 Cb 0.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1sn6 h LEU 59 CO -0.46 1.47 0.00 -0.24 0.09 0.00 0.00 178.44 179.30 1sn6 n SER 60 N -3.76 2.30 -0.01 -0.43 2.88 0.84 -4.34 113.62 111.10 1sn6 n SER 60 Ca -0.11 -1.77 -0.01 0.00 -1.33 0.00 0.00 58.87 55.65 1sn6 n SER 60 Cb 0.94 -0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 64.33 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 3.37 0.00 0.00 2.46 -0.00 0.37 -3.08 117.51 120.64 1sn6 h ILE 61 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 64.86 64.12 1sn6 h ILE 61 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.55 1sn6 h ILE 61 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.15 178.33 1sn6 n LEU 62 N -4.22 0.00 -0.08 2.19 4.77 -1.26 -1.60 117.00 116.80 1sn6 n LEU 62 Ca -0.01 0.35 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1sn6 n LEU 62 Cb 0.02 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 1sn6 n LEU 62 CO 0.02 -0.30 0.08 -0.07 -1.33 0.00 0.00 177.39 175.79 1sn6 h LEU 63 N 0.00 0.00 0.00 2.23 -0.00 -1.70 -3.42 115.31 112.43 1sn6 h LEU 63 Ca 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 57.88 57.09 1sn6 h LEU 63 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1sn6 h LEU 63 CO 0.00 1.14 -0.14 -0.62 -0.00 0.00 0.00 178.44 178.82 1sn6 n GLU 64 N -4.56 0.00 0.10 1.13 1.02 -1.03 -4.74 120.64 112.56 1sn6 n GLU 64 Ca -0.17 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.01 1sn6 n GLU 64 Cb 0.52 -0.18 0.17 0.00 -0.02 0.00 0.00 31.44 31.93 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sn6 n GLU 65 N -3.20 0.05 -3.68 3.49 -0.58 -1.14 -3.89 120.64 111.69 1sn6 n GLU 65 Ca 0.00 0.43 -0.16 0.00 -0.42 0.00 0.00 57.16 57.01 1sn6 n GLU 65 Cb 0.07 -2.01 -0.15 0.00 -0.57 0.00 0.00 31.44 28.78 1sn6 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1sn6 s VAL 66 N -2.95 -0.25 0.50 2.62 1.01 -0.63 -5.00 120.40 115.70 1sn6 s VAL 66 Ca -0.01 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1sn6 s VAL 66 Cb 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 36.38 36.00 1sn6 s VAL 66 CO 0.06 0.13 0.99 -0.44 0.00 0.00 0.00 175.10 175.84 1sn6 s SER 67 N 2.14 6.59 0.26 3.32 0.01 -1.25 -4.05 113.70 120.72 1sn6 s SER 67 Ca 0.01 1.64 -0.02 0.00 1.31 0.00 0.00 55.95 58.89 1sn6 s SER 67 Cb -0.12 -2.52 0.47 0.00 0.21 0.00 0.00 66.02 64.06 1sn6 s SER 67 CO -0.06 -0.61 1.83 1.55 0.41 0.00 0.00 173.24 176.35 1sn6 h PRO 68 N 1.10 0.88 -0.44 12.44 0.13 -1.85 -1.78 132.00 142.48 1sn6 h PRO 68 Ca -0.47 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1sn6 h PRO 68 Cb 1.19 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.10 1sn6 h PRO 68 CO 0.61 0.58 0.21 1.49 -0.23 0.00 0.00 178.00 180.66 1sn6 h GLU 69 N 0.91 0.64 -0.57 0.86 4.81 -1.90 -2.48 114.58 116.85 1sn6 h GLU 69 Ca 0.45 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.68 1sn6 h GLU 69 Cb 0.41 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 1sn6 h GLU 69 CO -0.25 0.56 0.12 1.25 -0.73 0.00 0.00 179.01 179.96 1sn6 h LEU 70 N 0.57 0.01 -0.63 1.64 5.85 -1.71 -2.10 115.31 118.95 1sn6 h LEU 70 Ca 0.15 0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.04 1sn6 h LEU 70 Cb 0.13 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 1sn6 h LEU 70 CO -0.02 0.02 -0.57 0.58 -0.34 0.00 0.00 178.44 178.11 1sn6 h VAL 71 N 0.26 0.00 -1.24 1.05 2.07 -1.10 1.30 116.25 118.59 1sn6 h VAL 71 Ca 0.30 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.22 1sn6 h VAL 71 Cb 0.42 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.07 1sn6 h VAL 71 CO -0.38 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.00 1sn6 h SER 73 N 0.13 -0.21 -0.91 0.00 0.87 0.17 -2.34 113.55 111.26 1sn6 h SER 73 Ca 0.79 -0.28 0.12 0.00 -1.23 0.00 0.00 61.79 61.19 1sn6 h SER 73 Cb 2.36 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 64.29 1sn6 h SER 73 CO -0.44 0.20 0.54 0.24 -0.53 0.00 0.00 176.83 176.83 1sn6 h MET 74 N -0.66 0.82 0.00 2.24 2.86 0.29 0.85 114.93 121.33 1sn6 h MET 74 Ca -0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1sn6 h MET 74 Cb 0.48 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1sn6 h MET 74 CO 0.04 0.54 0.00 -0.07 1.06 0.00 0.00 176.91 178.49 1sn6 h LEU 75 N 0.85 0.00 0.98 1.22 3.38 0.36 -3.45 115.31 118.65 1sn6 h LEU 75 Ca 0.45 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.26 1sn6 h LEU 75 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1sn6 h LEU 75 CO -0.28 0.00 -0.22 1.57 0.09 0.00 0.00 178.44 179.60 1sn6 n HIS 76 N -2.89 -0.47 0.69 1.13 -0.00 0.29 -4.90 115.22 109.08 1sn6 n HIS 76 Ca -0.02 0.04 0.12 0.00 0.46 0.00 0.00 57.72 58.32 1sn6 n HIS 76 Cb 0.08 -2.22 0.21 0.00 -0.12 0.00 0.00 29.99 27.94 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1sn6 n LEU 77 N -1.30 3.04 -0.93 0.27 4.77 -1.00 -4.36 117.00 117.50 1sn6 n LEU 77 Ca -0.09 -1.20 -0.03 0.00 -0.03 0.00 0.00 56.01 54.66 1sn6 n LEU 77 Cb 0.57 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1sn6 n LEU 77 CO 0.13 0.60 0.27 0.00 -1.33 0.00 0.00 177.39 177.06 1sn6 n SER 79 N 0.08 0.92 0.09 0.00 7.64 -1.26 -4.69 113.62 116.40 1sn6 n SER 79 Ca -0.14 -0.78 -0.14 0.00 1.01 0.00 0.00 58.87 58.82 1sn6 n SER 79 Cb 0.73 -1.26 -0.09 0.00 -1.01 0.00 0.00 64.21 62.57 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 17.56 0.34 -0.57 0.23 0.00 -1.98 -3.46 103.07 115.18 1sn6 h GLY 80 Ca -0.06 -0.72 -0.64 0.00 0.00 0.00 0.00 47.33 45.92 1sn6 h GLY 80 CO 1.25 0.63 -0.50 0.48 0.00 0.00 0.00 176.54 178.40 1sn6 s LEU 81 N -7.37 2.09 0.12 3.11 2.34 -1.26 -5.10 118.68 112.61 1sn6 s LEU 81 Ca -0.04 -1.73 -0.30 0.00 0.06 0.00 0.00 54.13 52.12 1sn6 s LEU 81 Cb 0.08 -0.39 -0.07 0.00 -0.56 0.00 0.00 46.19 45.26 1sn6 s LEU 81 CO 0.87 -0.96 1.15 0.68 -1.06 0.00 0.00 176.35 177.03 1sn6 s VAL 82 N -3.03 3.93 -0.36 1.48 -7.23 -1.26 -4.89 120.40 109.04 1sn6 s VAL 82 Ca 0.10 1.52 -0.43 0.00 -1.81 0.00 0.00 61.98 61.37 1sn6 s VAL 82 Cb 0.01 -3.97 -0.17 0.00 0.56 0.00 0.00 36.38 32.80 1sn6 s VAL 82 CO 0.07 0.19 1.70 -2.65 -0.31 0.00 0.00 175.10 174.11 1sn6 n PRO 83 N 3.11 0.76 0.00 4.82 -0.02 -1.26 -5.20 135.00 137.21 1sn6 n PRO 83 Ca 0.06 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1sn6 n PRO 83 Cb 0.46 -1.90 0.74 0.00 -0.02 0.00 0.00 33.50 32.78 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02