#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 3.21 0.04 4.04 9.92 -1.26 -4.11 116.55 128.39 1sn6 n ASP 2 Ca 0.00 -1.98 -0.19 0.00 -0.53 0.00 0.00 54.79 52.09 1sn6 n ASP 2 Cb 0.00 -0.77 -0.14 0.00 -0.64 0.00 0.00 41.12 39.57 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1sn6 h VAL 3 N 1.90 1.51 0.32 2.53 2.07 -2.02 -2.90 116.25 119.66 1sn6 h VAL 3 Ca 0.06 -2.45 -0.02 0.00 0.82 0.00 0.00 66.70 65.11 1sn6 h VAL 3 Cb 0.77 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 1sn6 h VAL 3 CO 0.17 0.69 -0.16 1.88 0.02 0.00 0.00 177.57 180.18 1sn6 h TYR 4 N -0.35 -0.40 -0.78 1.57 -1.99 -1.97 0.24 116.97 113.29 1sn6 h TYR 4 Ca -0.13 -0.01 0.15 0.00 2.00 0.00 0.00 58.73 60.75 1sn6 h TYR 4 Cb 1.56 0.13 -0.10 0.00 2.00 0.00 0.00 36.73 40.33 1sn6 h TYR 4 CO 0.19 -0.06 0.32 0.00 -0.00 0.00 0.00 178.16 178.61 1sn6 h GLU 6 N 0.45 -0.37 -0.64 0.00 5.08 -1.49 -2.69 114.58 114.92 1sn6 h GLU 6 Ca 0.44 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.01 1sn6 h GLU 6 Cb 0.68 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1sn6 h GLU 6 CO -0.42 -0.25 0.49 -0.24 -1.00 0.00 0.00 179.01 177.59 1sn6 h VAL 7 N -0.73 0.59 0.00 3.13 3.04 -0.33 0.46 116.25 122.40 1sn6 h VAL 7 Ca -0.04 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 1sn6 h VAL 7 Cb 0.30 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 1sn6 h VAL 7 CO 0.06 0.00 -0.35 0.00 -1.01 0.00 0.00 177.57 176.27 1sn6 h GLU 9 N 0.00 0.29 0.00 0.00 4.81 0.24 -3.04 114.58 116.87 1sn6 h GLU 9 Ca -0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1sn6 h GLU 9 Cb 0.79 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1sn6 h GLU 9 CO 0.05 1.17 0.00 0.35 -0.73 0.00 0.00 179.01 179.84 1sn6 h PHE 10 N 0.08 0.00 0.11 0.92 3.57 -1.32 -2.97 116.94 117.33 1sn6 h PHE 10 Ca -0.28 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 60.88 1sn6 h PHE 10 Cb 2.04 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.77 1sn6 h PHE 10 CO 0.07 0.00 -1.86 1.28 -2.23 0.00 0.00 178.31 175.58 1sn6 n LEU 11 N -2.55 2.49 0.21 0.59 4.77 -0.68 -2.82 117.00 119.02 1sn6 n LEU 11 Ca 0.04 0.26 0.08 0.00 -0.03 0.00 0.00 56.01 56.36 1sn6 n LEU 11 Cb 0.39 -1.10 0.41 0.00 -2.33 0.00 0.00 43.42 40.79 1sn6 n LEU 11 CO 0.28 0.75 0.76 -0.37 -1.33 0.00 0.00 177.39 177.48 1sn6 h VAL 12 N -0.13 0.66 0.13 4.08 -1.51 -1.60 -2.07 116.25 115.82 1sn6 h VAL 12 Ca -0.41 -1.26 -0.26 0.00 -1.23 0.00 0.00 66.70 63.54 1sn6 h VAL 12 Cb 1.90 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.89 1sn6 h VAL 12 CO 0.04 0.27 -1.29 0.50 -1.23 0.00 0.00 177.57 175.86 1sn6 h LYS 13 N 0.00 0.27 0.01 5.19 3.64 -1.67 -3.02 116.57 120.99 1sn6 h LYS 13 Ca -0.00 -0.45 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1sn6 h LYS 13 Cb 0.80 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1sn6 h LYS 13 CO 0.04 1.22 -0.01 1.49 -2.27 0.00 0.00 179.45 179.92 1sn6 h GLU 14 N -0.30 -0.02 -0.60 1.90 4.22 -1.53 -2.50 114.58 115.76 1sn6 h GLU 14 Ca -0.27 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.26 1sn6 h GLU 14 Cb 1.75 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.93 1sn6 h GLU 14 CO 0.09 0.27 0.23 -0.24 -2.18 0.00 0.00 179.01 177.17 1sn6 h VAL 15 N -0.30 0.79 -0.44 0.32 3.04 -1.54 -1.07 116.25 117.05 1sn6 h VAL 15 Ca -0.00 -0.14 0.09 0.00 -1.01 0.00 0.00 66.70 65.64 1sn6 h VAL 15 Cb 0.29 0.34 -0.09 0.00 -2.01 0.00 0.00 31.29 29.81 1sn6 h VAL 15 CO 0.00 0.08 -0.24 0.71 -1.01 0.00 0.00 177.57 177.11 1sn6 h THR 16 N 0.41 0.34 -1.03 3.17 1.35 -1.36 1.09 112.91 116.88 1sn6 h THR 16 Ca 0.30 0.00 0.36 0.00 -0.55 0.00 0.00 66.41 66.52 1sn6 h THR 16 Cb 0.35 0.34 -0.15 0.00 -1.73 0.00 0.00 68.15 66.96 1sn6 h THR 16 CO -0.29 0.00 0.59 0.11 -0.25 0.00 0.00 175.52 175.68 1sn6 h LYS 17 N -0.15 0.21 0.11 4.72 1.57 -0.75 2.47 116.57 124.75 1sn6 h LYS 17 Ca 0.21 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.62 1sn6 h LYS 17 Cb 0.47 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1sn6 h LYS 17 CO -0.53 0.14 -1.91 1.37 -0.57 0.00 0.00 179.45 177.94 1sn6 h LEU 18 N 0.22 0.36 -1.15 2.94 8.10 -0.50 -3.34 115.31 121.94 1sn6 h LEU 18 Ca 0.77 -0.77 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1sn6 h LEU 18 Cb 1.91 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 42.01 1sn6 h LEU 18 CO -0.63 1.69 0.00 0.40 -4.11 0.00 0.00 178.44 175.79 1sn6 h ILE 19 N 0.06 0.00 -1.10 0.15 2.04 0.41 -2.98 117.51 116.09 1sn6 h ILE 19 Ca -0.39 -0.51 0.37 0.00 1.00 0.00 0.00 64.86 65.34 1sn6 h ILE 19 Cb 2.04 1.46 -0.10 0.00 -0.74 0.00 0.00 36.82 39.47 1sn6 h ILE 19 CO 0.10 0.00 0.72 0.47 0.00 0.00 0.00 178.15 179.44 1sn6 n ASP 20 N -2.92 0.15 -0.44 1.72 8.00 0.80 -3.01 116.55 120.85 1sn6 n ASP 20 Ca 0.01 1.04 -0.01 0.00 0.71 0.00 0.00 54.79 56.55 1sn6 n ASP 20 Cb 0.32 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 1sn6 n ASP 20 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sn6 n ASN 21 N -4.16 -0.08 -0.34 -2.24 4.13 -1.24 -4.96 115.26 106.37 1sn6 n ASN 21 Ca 0.31 -0.86 0.11 0.00 1.68 0.00 0.00 54.58 55.82 1sn6 n ASN 21 Cb 1.24 0.02 0.29 0.00 -1.54 0.00 0.00 39.78 39.80 1sn6 n ASN 21 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1sn6 h ASN 22 N 0.00 0.72 -0.90 6.41 -0.00 -1.43 -3.42 115.58 116.97 1sn6 h ASN 22 Ca -0.04 0.10 -0.64 0.00 -0.00 0.00 0.00 56.30 55.71 1sn6 h ASN 22 Cb 0.83 -0.03 -0.11 0.00 -0.00 0.00 0.00 38.32 39.01 1sn6 h ASN 22 CO -0.02 0.27 -0.51 -1.59 -0.00 0.00 0.00 177.43 175.58 1sn6 s LYS 23 N -5.89 2.15 0.00 4.14 0.00 -1.26 -5.11 119.74 113.76 1sn6 s LYS 23 Ca -0.11 -2.20 0.00 0.00 0.00 0.00 0.00 55.97 53.66 1sn6 s LYS 23 Cb 0.24 -1.70 0.00 0.00 0.00 0.00 0.00 37.83 36.37 1sn6 s LYS 23 CO 0.80 -0.28 0.00 0.25 0.00 0.00 0.00 175.35 176.12 1sn6 n THR 24 N -1.25 0.00 1.09 3.79 -2.24 -1.26 -5.04 114.28 109.37 1sn6 n THR 24 Ca -0.11 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1sn6 n THR 24 Cb 0.66 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 69.04 1sn6 n THR 24 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sn6 n GLU 25 N 0.00 1.64 0.10 -0.78 0.00 -1.26 -4.06 120.64 116.28 1sn6 n GLU 25 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 57.16 55.70 1sn6 n GLU 25 Cb 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 31.44 29.82 1sn6 n GLU 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1sn6 h LYS 26 N 3.12 0.31 0.00 3.44 1.79 -1.99 -2.19 116.57 121.05 1sn6 h LYS 26 Ca 0.00 -0.53 -0.01 0.00 -2.18 0.00 0.00 60.65 57.93 1sn6 h LYS 26 Cb 0.79 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1sn6 h LYS 26 CO 0.00 1.23 -0.03 1.49 -1.08 0.00 0.00 179.45 181.07 1sn6 h GLU 27 N 0.09 0.00 0.00 3.15 4.57 -1.99 -3.03 114.58 117.36 1sn6 h GLU 27 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1sn6 h GLU 27 Cb 2.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.61 1sn6 h GLU 27 CO 0.20 0.03 0.00 -0.89 -1.18 0.00 0.00 179.01 177.17 1sn6 n ILE 28 N -3.12 0.00 -0.49 2.32 2.08 -1.18 -2.92 119.36 116.05 1sn6 n ILE 28 Ca 0.01 0.34 0.40 0.00 0.56 0.00 0.00 62.75 64.06 1sn6 n ILE 28 Cb 0.36 -1.16 0.70 0.00 -0.75 0.00 0.00 39.64 38.79 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 0.17 -0.00 1.39 3.38 -1.55 0.71 115.31 119.41 1sn6 h LEU 29 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1sn6 h LEU 29 Cb 0.00 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sn6 h LEU 29 CO 0.00 -0.10 -0.04 -2.24 0.09 0.00 0.00 178.44 176.15 1sn6 h ASP 30 N 0.07 0.04 -1.37 -0.43 2.03 -1.72 -2.99 116.42 112.05 1sn6 h ASP 30 Ca 0.81 -0.75 0.41 0.00 -0.73 0.00 0.00 57.03 56.77 1sn6 h ASP 30 Cb 2.76 -0.01 -0.09 0.00 -0.83 0.00 0.00 39.33 41.16 1sn6 h ASP 30 CO -0.27 0.78 0.94 0.00 -1.03 0.00 0.00 179.24 179.66 1sn6 h ALA 31 N 0.26 2.99 -0.27 4.15 0.00 0.52 2.41 119.26 129.32 1sn6 h ALA 31 Ca -0.00 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1sn6 h ALA 31 Cb 0.78 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sn6 h ALA 31 CO 0.01 -1.49 -0.51 0.74 0.00 0.00 0.00 179.25 178.00 1sn6 h PHE 32 N 0.10 0.96 0.00 0.00 0.04 -1.18 0.96 116.94 117.82 1sn6 h PHE 32 Ca 0.73 -0.33 0.00 0.00 2.80 0.00 0.00 57.97 61.17 1sn6 h PHE 32 Cb 2.54 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 40.51 1sn6 h PHE 32 CO -0.00 1.12 0.00 -3.47 -0.60 0.00 0.00 178.31 175.36 1sn6 n ASP 33 N -4.00 0.00 0.00 2.17 -0.08 0.80 -1.31 116.55 114.13 1sn6 n ASP 33 Ca -0.03 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 52.78 1sn6 n ASP 33 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sn6 n LYS 34 N -0.96 0.00 -0.01 -0.67 5.02 -0.38 -4.43 118.16 116.73 1sn6 n LYS 34 Ca 0.09 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.27 1sn6 n LYS 34 Cb 0.04 -0.06 -0.06 0.00 -0.02 0.00 0.00 35.03 34.93 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 0.13 -0.78 1.97 1.85 0.82 -1.25 114.93 117.66 1sn6 h MET 35 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1sn6 h MET 35 Cb 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.01 1sn6 h MET 35 CO 0.00 0.25 0.00 0.00 -0.40 0.00 0.00 176.91 176.76 1sn6 n SER 37 N 0.04 1.84 0.30 0.00 3.41 -0.48 -4.11 113.62 114.62 1sn6 n SER 37 Ca 0.04 0.50 0.17 0.00 -0.26 0.00 0.00 58.87 59.32 1sn6 n SER 37 Cb 0.33 -0.92 0.98 0.00 -0.26 0.00 0.00 64.21 64.34 1sn6 n SER 37 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1sn6 h LYS 38 N -1.00 0.00 -6.23 4.33 2.10 -1.62 -3.44 116.57 110.71 1sn6 h LYS 38 Ca -0.22 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.83 1sn6 h LYS 38 Cb 1.00 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.49 1sn6 h LYS 38 CO -0.13 0.00 -0.71 -0.11 -2.00 0.00 0.00 179.45 176.50 1sn6 n LEU 39 N -3.66 -1.32 -4.69 7.07 7.94 -1.26 -4.77 117.00 116.31 1sn6 n LEU 39 Ca -0.03 0.77 -0.44 0.00 -1.11 0.00 0.00 56.01 55.20 1sn6 n LEU 39 Cb 0.10 -1.02 -0.04 0.00 0.53 0.00 0.00 43.42 43.00 1sn6 n LEU 39 CO 0.26 -3.70 1.25 -2.65 -1.11 0.00 0.00 177.39 171.43 1sn6 n PRO 40 N 0.80 2.38 -0.28 1.96 -0.02 -1.26 -4.52 135.00 134.05 1sn6 n PRO 40 Ca 0.10 0.86 0.10 0.00 -2.02 0.00 0.00 63.50 62.54 1sn6 n PRO 40 Cb 0.44 -2.65 0.19 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.49 -0.07 0.09 -0.52 4.81 -1.26 0.76 118.16 125.46 1sn6 n LYS 41 Ca 0.16 1.23 -0.13 0.00 -0.87 0.00 0.00 58.31 58.70 1sn6 n LYS 41 Cb 0.31 -1.91 -0.08 0.00 0.02 0.00 0.00 35.03 33.37 1sn6 n LYS 41 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1sn6 h SER 42 N 0.00 -1.31 0.11 3.14 0.02 -2.01 -0.16 113.55 113.34 1sn6 h SER 42 Ca 0.46 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1sn6 h SER 42 Cb 0.86 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1sn6 h SER 42 CO -0.79 -0.46 -0.01 0.18 -1.14 0.00 0.00 176.83 174.62 1sn6 n LEU 43 N -4.92 0.17 0.14 5.07 4.32 0.17 -2.60 117.00 119.34 1sn6 n LEU 43 Ca -0.07 -0.00 0.06 0.00 -0.02 0.00 0.00 56.01 55.98 1sn6 n LEU 43 Cb 0.34 -0.06 0.04 0.00 -1.62 0.00 0.00 43.42 42.12 1sn6 n LEU 43 CO 0.13 0.03 0.36 0.77 -1.22 0.00 0.00 177.39 177.45 1sn6 h SER 44 N 0.25 0.00 0.20 -1.43 4.64 0.20 -0.31 113.55 117.11 1sn6 h SER 44 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1sn6 h SER 44 Cb 0.11 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1sn6 h SER 44 CO 0.00 0.32 -1.68 -0.33 -0.87 0.00 0.00 176.83 174.27 1sn6 h GLU 45 N 0.00 0.43 0.00 4.77 4.39 -0.85 -3.02 114.58 120.31 1sn6 h GLU 45 Ca -0.03 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1sn6 h GLU 45 Cb 1.27 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1sn6 h GLU 45 CO 0.04 1.35 -0.00 0.93 -1.16 0.00 0.00 179.01 180.17 1sn6 h GLU 46 N 0.10 0.00 0.16 2.33 3.07 -1.57 -2.43 114.58 116.25 1sn6 h GLU 46 Ca -0.32 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.24 1sn6 h GLU 46 Cb 2.11 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 30.04 1sn6 h GLU 46 CO 0.20 0.00 -1.30 0.00 -1.40 0.00 0.00 179.01 176.51 1sn6 h GLN 48 N 0.11 0.00 0.06 0.00 1.08 -1.53 -3.05 115.11 111.79 1sn6 h GLN 48 Ca -0.17 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1sn6 h GLN 48 Cb 2.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.44 1sn6 h GLN 48 CO 0.23 0.00 -0.03 1.49 -0.95 0.00 0.00 178.83 179.57 1sn6 h GLU 49 N 0.00 -0.08 -0.72 1.46 4.57 -1.35 -3.00 114.58 115.47 1sn6 h GLU 49 Ca 0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1sn6 h GLU 49 Cb 0.80 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 1sn6 h GLU 49 CO 0.00 0.34 0.29 0.28 -1.18 0.00 0.00 179.01 178.74 1sn6 h VAL 50 N -0.53 1.25 -0.64 0.32 2.07 -1.55 -2.81 116.25 114.35 1sn6 h VAL 50 Ca -0.01 -0.77 0.11 0.00 0.82 0.00 0.00 66.70 66.85 1sn6 h VAL 50 Cb 0.46 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 30.53 1sn6 h VAL 50 CO 0.01 0.31 -0.36 0.58 0.02 0.00 0.00 177.57 178.13 1sn6 h VAL 51 N 1.03 0.13 -0.93 2.57 2.07 -1.49 3.81 116.25 123.44 1sn6 h VAL 51 Ca 0.24 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.97 1sn6 h VAL 51 Cb 0.20 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.04 1sn6 h VAL 51 CO -0.02 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.62 1sn6 h ASP 52 N -0.15 0.41 1.34 0.57 3.32 -1.35 0.98 116.42 121.53 1sn6 h ASP 52 Ca 0.24 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.24 1sn6 h ASP 52 Cb 0.56 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1sn6 h ASP 52 CO -0.72 0.15 -0.69 0.74 -1.72 0.00 0.00 179.24 177.00 1sn6 h THR 53 N 0.40 0.57 -2.41 0.35 2.02 0.45 -3.39 112.91 110.90 1sn6 h THR 53 Ca 0.49 -1.87 -0.59 0.00 0.77 0.00 0.00 66.41 65.21 1sn6 h THR 53 Cb 1.24 2.18 -0.40 0.00 -1.74 0.00 0.00 68.15 69.43 1sn6 h THR 53 CO -0.19 0.32 -0.83 -1.22 0.37 0.00 0.00 175.52 173.98 1sn6 n TYR 54 N -3.08 1.25 0.00 3.16 4.02 1.07 -4.81 117.16 118.78 1sn6 n TYR 54 Ca -0.01 -3.81 0.00 0.00 -0.01 0.00 0.00 57.90 54.08 1sn6 n TYR 54 Cb 0.71 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 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 1.83 -0.14 0.19 2.72 0.00 0.17 -4.45 105.19 105.50 1sn6 n GLY 55 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.41 1sn6 n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sn6 h SER 56 N 0.00 0.00 0.00 1.61 4.64 -1.87 -3.21 113.55 114.72 1sn6 h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sn6 h SER 56 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sn6 h SER 56 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1sn6 n SER 57 N -2.70 0.00 -0.16 4.97 7.64 -1.26 -2.75 113.62 119.36 1sn6 n SER 57 Ca 0.03 0.21 0.07 0.00 1.01 0.00 0.00 58.87 60.19 1sn6 n SER 57 Cb 0.38 -0.37 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.89 -0.20 0.01 0.44 3.06 -1.26 0.30 119.36 119.83 1sn6 n ILE 58 Ca 0.00 1.03 -0.19 0.00 -2.50 0.00 0.00 62.75 61.10 1sn6 n ILE 58 Cb 0.00 -1.51 -0.09 0.00 0.54 0.00 0.00 39.64 38.58 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 0.89 -1.34 9.51 3.38 -1.74 -3.25 115.31 122.77 1sn6 h LEU 59 Ca 0.28 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1sn6 h LEU 59 Cb 0.58 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sn6 h LEU 59 CO -0.44 1.46 0.00 -1.20 0.09 0.00 0.00 178.44 178.35 1sn6 n SER 60 N -3.93 2.05 -0.02 -0.43 7.64 0.88 -4.34 113.62 115.48 1sn6 n SER 60 Ca -0.10 -1.70 -0.01 0.00 1.01 0.00 0.00 58.87 58.07 1sn6 n SER 60 Cb 0.81 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1sn6 n SER 60 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1sn6 h ILE 61 N 3.03 0.00 0.00 0.44 -0.00 0.37 -3.02 117.51 118.33 1sn6 h ILE 61 Ca 0.00 -0.65 0.00 0.00 -0.00 0.00 0.00 64.86 64.21 1sn6 h ILE 61 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.47 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 -3.90 0.00 -0.08 2.19 4.77 -1.26 -1.74 117.00 116.97 1sn6 n LEU 62 Ca -0.00 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 56.11 1sn6 n LEU 62 Cb 0.01 -0.32 -0.12 0.00 -2.33 0.00 0.00 43.42 40.66 1sn6 n LEU 62 CO 0.01 -0.32 -0.16 -0.07 -1.33 0.00 0.00 177.39 175.52 1sn6 h LEU 63 N 0.00 0.03 0.00 2.23 -0.00 -1.70 -3.42 115.31 112.45 1sn6 h LEU 63 Ca 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 57.88 57.16 1sn6 h LEU 63 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 1sn6 h LEU 63 CO 0.00 1.31 -0.13 -0.62 -0.00 0.00 0.00 178.44 179.01 1sn6 n GLU 64 N -4.47 0.00 0.11 1.13 -0.58 -0.91 -4.73 120.64 111.18 1sn6 n GLU 64 Ca -0.23 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.54 1sn6 n GLU 64 Cb 0.62 -0.19 0.19 0.00 -0.57 0.00 0.00 31.44 31.48 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1sn6 n GLU 65 N -3.24 0.05 -3.85 3.49 -0.58 -1.14 -4.16 120.64 111.21 1sn6 n GLU 65 Ca 0.00 0.44 -0.12 0.00 -0.42 0.00 0.00 57.16 57.06 1sn6 n GLU 65 Cb 0.06 -2.00 -0.13 0.00 -0.57 0.00 0.00 31.44 28.80 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 -2.98 -0.00 0.41 2.62 1.01 -0.71 -5.00 120.40 115.75 1sn6 s VAL 66 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1sn6 s VAL 66 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 1sn6 s VAL 66 CO 0.06 0.00 0.63 -0.55 0.00 0.00 0.00 175.10 175.24 1sn6 s SER 67 N 0.03 6.02 0.08 3.32 0.15 -1.26 -4.05 113.70 117.99 1sn6 s SER 67 Ca -0.00 0.37 -0.27 0.00 0.70 0.00 0.00 55.95 56.75 1sn6 s SER 67 Cb -0.00 -1.74 -0.17 0.00 -1.71 0.00 0.00 66.02 62.40 1sn6 s SER 67 CO 0.00 -0.55 1.67 1.55 1.20 0.00 0.00 173.24 177.11 1sn6 h PRO 68 N 0.52 -0.33 0.00 5.44 0.13 -1.86 -2.32 132.00 133.58 1sn6 h PRO 68 Ca -0.47 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1sn6 h PRO 68 Cb 1.24 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1sn6 h PRO 68 CO 0.59 -0.20 -0.02 1.05 -0.23 0.00 0.00 178.00 179.18 1sn6 h GLU 69 N -0.37 0.00 -0.11 0.86 9.09 -1.89 -2.16 114.58 120.00 1sn6 h GLU 69 Ca -0.04 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.34 1sn6 h GLU 69 Cb 0.28 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1sn6 h GLU 69 CO 0.06 0.02 -0.06 1.25 0.05 0.00 0.00 179.01 180.33 1sn6 h LEU 70 N 0.00 0.25 -0.44 3.06 5.85 -1.82 -2.97 115.31 119.24 1sn6 h LEU 70 Ca -0.00 -0.42 0.08 0.00 0.84 0.00 0.00 57.88 58.38 1sn6 h LEU 70 Cb 0.07 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 40.93 1sn6 h LEU 70 CO 0.00 0.62 -0.34 0.58 -0.34 0.00 0.00 178.44 178.96 1sn6 h VAL 71 N -0.12 0.21 -0.98 1.05 2.07 -1.05 1.47 116.25 118.90 1sn6 h VAL 71 Ca 0.02 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.82 1sn6 h VAL 71 Cb 0.53 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1sn6 h VAL 71 CO 0.02 0.00 0.69 0.00 0.02 0.00 0.00 177.57 178.30 1sn6 h SER 73 N 0.10 -0.33 -0.75 0.00 0.87 0.20 -2.55 113.55 111.09 1sn6 h SER 73 Ca 0.48 -0.12 0.15 0.00 -1.23 0.00 0.00 61.79 61.08 1sn6 h SER 73 Cb 1.74 0.09 -0.10 0.00 -0.44 0.00 0.00 62.40 63.68 1sn6 h SER 73 CO -0.07 0.15 0.27 0.24 -0.53 0.00 0.00 176.83 176.89 1sn6 h MET 74 N -1.03 0.38 0.00 2.24 2.86 0.13 1.42 114.93 120.93 1sn6 h MET 74 Ca -0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sn6 h MET 74 Cb 0.43 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1sn6 h MET 74 CO 0.07 0.25 0.00 1.28 1.06 0.00 0.00 176.91 179.57 1sn6 n LEU 75 N -5.05 0.00 -4.29 1.22 4.77 0.20 -4.84 117.00 109.01 1sn6 n LEU 75 Ca 0.15 0.47 -0.32 0.00 -0.03 0.00 0.00 56.01 56.27 1sn6 n LEU 75 Cb 0.44 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1sn6 n LEU 75 CO 0.16 -0.36 -0.45 0.00 -1.33 0.00 0.00 177.39 175.41 1sn6 n HIS 76 N -1.47 -1.28 0.07 -1.77 1.44 0.49 -4.81 115.22 107.88 1sn6 n HIS 76 Ca 0.02 0.59 -0.02 0.00 -2.01 0.00 0.00 57.72 56.29 1sn6 n HIS 76 Cb 0.07 -2.84 -0.07 0.00 0.12 0.00 0.00 29.99 27.27 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1sn6 h LEU 77 N -1.84 0.00 -0.56 2.39 5.85 -1.79 -3.21 115.31 116.15 1sn6 h LEU 77 Ca -0.66 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1sn6 h LEU 77 Cb 1.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1sn6 h LEU 77 CO 0.70 0.73 0.00 0.00 -0.34 0.00 0.00 178.44 179.53 1sn6 n SER 79 N -1.89 1.81 0.22 0.00 2.88 -1.22 -4.74 113.62 110.69 1sn6 n SER 79 Ca 0.01 0.27 0.10 0.00 -1.33 0.00 0.00 58.87 57.92 1sn6 n SER 79 Cb 0.10 -1.24 0.33 0.00 -0.75 0.00 0.00 64.21 62.65 1sn6 n SER 79 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1sn6 h GLY 80 N 13.12 0.00 -0.18 0.46 0.00 -1.94 -3.45 103.07 111.09 1sn6 h GLY 80 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1sn6 h GLY 80 CO 1.09 0.00 -0.14 1.47 0.00 0.00 0.00 176.54 178.96 1sn6 n LEU 81 N -3.21 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 105.83 1sn6 n LEU 81 Ca 0.02 -0.94 -0.41 0.00 -0.00 0.00 0.00 56.01 54.67 1sn6 n LEU 81 Cb 0.50 0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 44.10 1sn6 n LEU 81 CO 0.34 -0.14 0.61 0.68 -0.00 0.00 0.00 177.39 178.87 1sn6 s VAL 82 N -1.79 4.91 0.31 1.47 -7.23 -1.26 -4.97 120.40 111.84 1sn6 s VAL 82 Ca 0.03 1.86 -0.26 0.00 -1.81 0.00 0.00 61.98 61.80 1sn6 s VAL 82 Cb 0.00 -4.23 -0.14 0.00 0.56 0.00 0.00 36.38 32.57 1sn6 s VAL 82 CO 0.02 0.16 0.81 -2.65 -0.31 0.00 0.00 175.10 173.14 1sn6 n PRO 83 N 4.04 0.91 0.00 4.82 -0.02 -1.26 -5.17 135.00 138.33 1sn6 n PRO 83 Ca 0.04 0.32 0.16 0.00 -2.02 0.00 0.00 63.50 62.00 1sn6 n PRO 83 Cb 0.51 -1.62 0.88 0.00 -0.02 0.00 0.00 33.50 33.25 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02