#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 -4.41 -0.00 4.04 8.00 -1.26 -4.81 116.55 118.11 1sn6 n ASP 2 Ca 0.00 -0.64 0.10 0.00 0.71 0.00 0.00 54.79 54.97 1sn6 n ASP 2 Cb 0.00 -3.57 -0.13 0.00 -0.02 0.00 0.00 41.12 37.40 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1sn6 n VAL 3 N -4.39 0.00 0.30 2.53 3.14 -1.26 -4.20 118.33 114.45 1sn6 n VAL 3 Ca 0.02 -0.17 0.18 0.00 -2.96 0.00 0.00 64.34 61.40 1sn6 n VAL 3 Cb 0.53 0.67 0.88 0.00 -1.06 0.00 0.00 33.84 34.86 1sn6 n VAL 3 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 1sn6 h TYR 4 N 0.00 0.00 0.11 1.45 0.05 -1.91 0.34 116.97 117.01 1sn6 h TYR 4 Ca 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 1sn6 h TYR 4 Cb 0.65 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.40 1sn6 h TYR 4 CO 0.00 0.00 -0.89 0.00 -1.05 0.00 0.00 178.16 176.22 1sn6 h GLU 6 N -0.47 0.31 -0.25 0.00 3.07 -1.74 -3.05 114.58 112.45 1sn6 h GLU 6 Ca -0.18 -0.53 -0.14 0.00 -0.50 0.00 0.00 59.36 58.01 1sn6 h GLU 6 Cb 1.57 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 29.67 1sn6 h GLU 6 CO 0.09 1.23 -0.44 -0.24 -1.40 0.00 0.00 179.01 178.25 1sn6 h VAL 7 N 0.08 1.30 0.16 3.13 3.04 -1.10 -3.03 116.25 119.84 1sn6 h VAL 7 Ca -0.19 -1.62 -0.01 0.00 -1.01 0.00 0.00 66.70 63.87 1sn6 h VAL 7 Cb 2.02 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.88 1sn6 h VAL 7 CO 0.20 0.52 -0.08 0.00 -1.01 0.00 0.00 177.57 177.20 1sn6 h GLU 9 N -0.65 0.45 0.09 0.00 5.08 -1.57 0.87 114.58 118.84 1sn6 h GLU 9 Ca -0.02 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 58.06 1sn6 h GLU 9 Cb 0.48 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1sn6 h GLU 9 CO 0.04 0.30 -1.14 0.35 -1.00 0.00 0.00 179.01 177.55 1sn6 h PHE 10 N 0.46 0.41 0.02 4.33 3.57 -1.40 -2.89 116.94 121.45 1sn6 h PHE 10 Ca 0.65 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1sn6 h PHE 10 Cb 1.45 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1sn6 h PHE 10 CO -0.01 1.20 -0.10 -0.07 -2.23 0.00 0.00 178.31 177.11 1sn6 h LEU 11 N 0.08 0.06 -2.01 0.59 3.38 0.12 -2.46 115.31 115.07 1sn6 h LEU 11 Ca -0.10 -0.98 -0.01 0.00 0.09 0.00 0.00 57.88 56.88 1sn6 h LEU 11 Cb 1.86 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 1sn6 h LEU 11 CO 0.18 1.03 -0.07 0.58 0.09 0.00 0.00 178.44 180.25 1sn6 h VAL 12 N -0.91 0.85 0.00 1.22 2.07 0.44 -0.01 116.25 119.92 1sn6 h VAL 12 Ca -0.02 -0.25 -0.21 0.00 0.82 0.00 0.00 66.70 67.05 1sn6 h VAL 12 Cb 1.06 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1sn6 h VAL 12 CO 0.02 0.07 -1.12 0.07 0.02 0.00 0.00 177.57 176.63 1sn6 h LYS 13 N 0.00 0.00 0.04 1.57 5.09 -1.58 -3.06 116.57 118.64 1sn6 h LYS 13 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.74 1sn6 h LYS 13 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 1sn6 h LYS 13 CO 0.01 0.73 -0.02 0.93 -2.09 0.00 0.00 179.45 179.01 1sn6 h GLU 14 N 0.00 -0.06 -0.85 0.07 4.39 -0.85 -2.95 114.58 114.34 1sn6 h GLU 14 Ca -0.09 0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.78 1sn6 h GLU 14 Cb 1.74 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 30.30 1sn6 h GLU 14 CO 0.10 0.58 0.41 -0.24 -1.16 0.00 0.00 179.01 178.70 1sn6 h VAL 15 N -0.90 0.67 -0.49 3.13 3.04 -1.17 0.20 116.25 120.73 1sn6 h VAL 15 Ca -0.01 -0.19 0.10 0.00 -1.01 0.00 0.00 66.70 65.59 1sn6 h VAL 15 Cb 0.66 0.06 -0.08 0.00 -2.01 0.00 0.00 31.29 29.92 1sn6 h VAL 15 CO 0.01 0.10 -0.04 0.71 -1.01 0.00 0.00 177.57 177.35 1sn6 h THR 16 N 0.56 0.58 -1.02 3.17 1.35 -1.55 0.97 112.91 116.97 1sn6 h THR 16 Ca 0.48 -0.03 0.29 0.00 -0.55 0.00 0.00 66.41 66.60 1sn6 h THR 16 Cb 0.73 0.50 -0.13 0.00 -1.73 0.00 0.00 68.15 67.52 1sn6 h THR 16 CO -0.40 0.01 0.61 0.11 -0.25 0.00 0.00 175.52 175.60 1sn6 h LYS 17 N 0.08 0.41 0.13 4.72 1.57 -0.41 2.90 116.57 125.98 1sn6 h LYS 17 Ca 0.24 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.64 1sn6 h LYS 17 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1sn6 h LYS 17 CO -0.44 0.27 -1.89 1.37 -0.57 0.00 0.00 179.45 178.19 1sn6 h LEU 18 N 0.43 0.44 -0.87 2.94 8.10 -0.73 -3.30 115.31 122.32 1sn6 h LEU 18 Ca 0.69 -0.87 0.00 0.00 0.11 0.00 0.00 57.88 57.81 1sn6 h LEU 18 Cb 1.52 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 41.60 1sn6 h LEU 18 CO -0.51 1.77 0.00 0.40 -4.11 0.00 0.00 178.44 175.99 1sn6 h ILE 19 N 0.08 0.00 -0.88 0.15 2.04 0.27 -2.67 117.51 116.50 1sn6 h ILE 19 Ca -0.39 -0.29 0.15 0.00 1.00 0.00 0.00 64.86 65.34 1sn6 h ILE 19 Cb 2.05 1.07 -0.15 0.00 -0.74 0.00 0.00 36.82 39.05 1sn6 h ILE 19 CO 0.12 0.00 -0.34 -0.78 0.00 0.00 0.00 178.15 177.15 1sn6 h ASP 20 N 0.00 -1.23 0.00 1.72 3.58 0.50 -3.37 116.42 117.62 1sn6 h ASP 20 Ca 0.00 0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1sn6 h ASP 20 Cb 0.39 0.67 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1sn6 h ASP 20 CO 0.00 -0.30 0.00 0.59 -2.88 0.00 0.00 179.24 176.65 1sn6 n ASN 21 N -5.49 0.00 -0.03 2.28 5.03 -1.24 -4.97 115.26 110.85 1sn6 n ASN 21 Ca 0.10 -0.97 -0.12 0.00 0.87 0.00 0.00 54.58 54.46 1sn6 n ASN 21 Cb 0.40 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.10 1sn6 n ASN 21 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1sn6 h ASN 22 N 0.00 0.18 -3.37 6.41 -0.00 -1.64 -3.42 115.58 113.74 1sn6 h ASN 22 Ca 0.00 -0.31 -0.65 0.00 -0.00 0.00 0.00 56.30 55.34 1sn6 h ASN 22 Cb 0.97 -0.05 -0.20 0.00 -0.00 0.00 0.00 38.32 39.04 1sn6 h ASN 22 CO 0.00 0.44 -0.67 -1.59 -0.00 0.00 0.00 177.43 175.61 1sn6 s LYS 23 N -4.98 3.42 0.00 4.14 0.00 -1.26 -5.12 119.74 115.94 1sn6 s LYS 23 Ca -0.14 -0.51 0.00 0.00 0.00 0.00 0.00 55.97 55.31 1sn6 s LYS 23 Cb 0.05 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 35.04 1sn6 s LYS 23 CO 0.70 0.38 0.00 0.25 0.00 0.00 0.00 175.35 176.68 1sn6 n THR 24 N 3.12 0.00 0.49 3.79 -2.24 -1.26 -4.97 114.28 113.21 1sn6 n THR 24 Ca -0.18 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.66 1sn6 n THR 24 Cb 0.53 -1.40 0.19 0.00 -2.10 0.00 0.00 70.33 67.55 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 -0.99 2.29 0.04 -0.78 1.02 -1.26 -3.94 120.64 117.02 1sn6 n GLU 25 Ca 0.00 -1.55 -0.22 0.00 -0.02 0.00 0.00 57.16 55.37 1sn6 n GLU 25 Cb 0.00 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 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 2.34 0.32 0.00 3.49 1.79 -1.99 -2.94 116.57 119.58 1sn6 h LYS 26 Ca 0.00 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1sn6 h LYS 26 Cb 0.76 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1sn6 h LYS 26 CO 0.08 1.25 0.00 0.39 -1.08 0.00 0.00 179.45 180.09 1sn6 n GLU 27 N -3.52 0.20 0.00 3.15 -0.58 -1.25 -2.80 120.64 115.84 1sn6 n GLU 27 Ca -0.28 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1sn6 n GLU 27 Cb 1.06 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 1sn6 n GLU 27 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1sn6 n ILE 28 N -2.12 0.00 -0.41 -3.67 2.08 -1.24 -2.44 119.36 111.56 1sn6 n ILE 28 Ca 0.05 0.38 0.37 0.00 0.56 0.00 0.00 62.75 64.11 1sn6 n ILE 28 Cb 0.36 -1.21 0.71 0.00 -0.75 0.00 0.00 39.64 38.75 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 0.10 -0.03 1.39 3.38 -1.66 0.93 115.31 119.42 1sn6 h LEU 29 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sn6 h LEU 29 Cb 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1sn6 h LEU 29 CO 0.00 -0.01 -0.03 -0.78 0.09 0.00 0.00 178.44 177.71 1sn6 h ASP 30 N 0.08 0.09 -0.62 -0.43 1.82 -1.67 -2.95 116.42 112.73 1sn6 h ASP 30 Ca 0.67 -0.49 0.11 0.00 -0.39 0.00 0.00 57.03 56.93 1sn6 h ASP 30 Cb 2.46 -0.02 -0.12 0.00 0.68 0.00 0.00 39.33 42.33 1sn6 h ASP 30 CO -0.11 0.56 -0.32 0.00 -1.61 0.00 0.00 179.24 177.77 1sn6 h ALA 31 N 0.53 0.03 -0.89 -0.78 0.00 0.12 1.61 119.26 119.87 1sn6 h ALA 31 Ca 0.00 0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.32 1sn6 h ALA 31 Cb 0.54 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1sn6 h ALA 31 CO 0.01 -0.64 0.60 0.74 0.00 0.00 0.00 179.25 179.96 1sn6 h PHE 32 N -0.14 0.40 0.00 0.00 0.04 -1.33 2.92 116.94 118.84 1sn6 h PHE 32 Ca 0.25 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1sn6 h PHE 32 Cb 0.55 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1sn6 h PHE 32 CO -0.64 0.10 0.00 -3.47 -0.60 0.00 0.00 178.31 173.70 1sn6 n ASP 33 N -4.45 0.00 -0.01 2.17 2.03 0.54 -1.63 116.55 115.19 1sn6 n ASP 33 Ca 0.19 -0.09 -0.03 0.00 0.52 0.00 0.00 54.79 55.39 1sn6 n ASP 33 Cb 0.77 -0.24 -0.01 0.00 -0.72 0.00 0.00 41.12 40.92 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sn6 n LYS 34 N -1.24 0.15 -0.00 -0.67 5.02 0.96 -4.30 118.16 118.08 1sn6 n LYS 34 Ca 0.10 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.32 1sn6 n LYS 34 Cb 0.13 -0.65 -0.09 0.00 -0.02 0.00 0.00 35.03 34.40 1sn6 n LYS 34 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1sn6 h MET 35 N -0.28 0.01 -0.07 1.97 2.86 -1.02 -1.83 114.93 116.57 1sn6 h MET 35 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sn6 h MET 35 Cb 0.28 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1sn6 h MET 35 CO 0.00 0.39 0.00 0.00 1.06 0.00 0.00 176.91 178.36 1sn6 h SER 37 N 0.05 0.00 0.30 0.00 0.87 -1.32 -3.29 113.55 110.16 1sn6 h SER 37 Ca 0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1sn6 h SER 37 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1sn6 h SER 37 CO 0.00 1.08 0.00 0.07 -0.53 0.00 0.00 176.83 177.45 1sn6 h LYS 38 N -1.00 0.00 -6.89 2.24 2.10 -1.61 -3.43 116.57 107.98 1sn6 h LYS 38 Ca -0.11 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.99 1sn6 h LYS 38 Cb 0.96 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.42 1sn6 h LYS 38 CO -0.06 0.00 0.52 -0.11 -2.00 0.00 0.00 179.45 177.80 1sn6 n LEU 39 N -2.64 4.44 -4.52 7.07 7.94 -1.24 -4.89 117.00 123.17 1sn6 n LEU 39 Ca -0.01 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 55.59 1sn6 n LEU 39 Cb 0.12 -1.52 0.05 0.00 0.53 0.00 0.00 43.42 42.60 1sn6 n LEU 39 CO 0.17 -0.62 0.24 -2.65 -1.11 0.00 0.00 177.39 173.43 1sn6 n PRO 40 N -0.23 0.61 -0.05 1.96 -0.02 -1.26 -4.52 135.00 131.48 1sn6 n PRO 40 Ca 0.07 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1sn6 n PRO 40 Cb 0.41 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 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 0.23 -0.40 -0.24 -0.52 3.64 -1.90 0.35 116.57 117.72 1sn6 h LYS 41 Ca -0.47 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 1sn6 h LYS 41 Cb 1.38 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 33.24 1sn6 h LYS 41 CO 0.48 -0.27 -0.40 0.77 -2.27 0.00 0.00 179.45 177.77 1sn6 h SER 42 N -0.41 -1.31 0.05 4.20 0.02 -2.01 0.16 113.55 114.25 1sn6 h SER 42 Ca 0.10 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1sn6 h SER 42 Cb 0.60 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1sn6 h SER 42 CO -0.47 -0.30 0.00 0.18 -1.14 0.00 0.00 176.83 175.10 1sn6 n LEU 43 N -4.61 0.00 0.01 5.07 4.77 -1.07 -2.41 117.00 118.75 1sn6 n LEU 43 Ca -0.03 0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1sn6 n LEU 43 Cb 0.25 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 1sn6 n LEU 43 CO 0.02 -0.01 -0.32 -1.28 -1.33 0.00 0.00 177.39 174.47 1sn6 h SER 44 N 0.00 0.02 1.23 -1.43 0.87 0.25 -2.21 113.55 112.27 1sn6 h SER 44 Ca 0.00 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 1sn6 h SER 44 Cb 0.02 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1sn6 h SER 44 CO 0.00 1.02 -0.78 -0.33 -0.53 0.00 0.00 176.83 176.21 1sn6 h GLU 45 N 0.00 0.00 0.00 2.24 4.39 -0.86 -3.01 114.58 117.34 1sn6 h GLU 45 Ca -0.20 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.34 1sn6 h GLU 45 Cb 1.94 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.57 1sn6 h GLU 45 CO 0.10 0.73 -1.04 0.93 -1.16 0.00 0.00 179.01 178.57 1sn6 h GLU 46 N 0.00 0.00 0.00 2.33 5.08 -1.57 -2.39 114.58 118.03 1sn6 h GLU 46 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1sn6 h GLU 46 Cb 1.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 1sn6 h GLU 46 CO 0.10 0.48 -0.86 0.00 -1.00 0.00 0.00 179.01 177.73 1sn6 h GLN 48 N 0.00 0.00 -0.13 0.00 4.20 -1.61 -3.09 115.11 114.48 1sn6 h GLN 48 Ca -0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1sn6 h GLN 48 Cb 1.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 1sn6 h GLN 48 CO 0.11 0.03 0.05 1.49 -0.67 0.00 0.00 178.83 179.85 1sn6 h GLU 49 N 0.00 0.20 -0.63 1.46 4.22 -1.22 -2.37 114.58 116.25 1sn6 h GLU 49 Ca -0.01 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.30 1sn6 h GLU 49 Cb 1.04 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1sn6 h GLU 49 CO 0.00 0.31 0.03 0.28 -2.18 0.00 0.00 179.01 177.45 1sn6 h VAL 50 N 0.06 1.27 -0.74 0.32 2.07 -1.58 -2.56 116.25 115.08 1sn6 h VAL 50 Ca 0.04 -1.13 0.17 0.00 0.82 0.00 0.00 66.70 66.60 1sn6 h VAL 50 Cb 0.18 0.75 -0.12 0.00 -1.52 0.00 0.00 31.29 30.58 1sn6 h VAL 50 CO -0.00 0.41 0.10 0.58 0.02 0.00 0.00 177.57 178.68 1sn6 h VAL 51 N 1.00 0.43 -0.62 2.57 2.07 -1.40 3.67 116.25 123.97 1sn6 h VAL 51 Ca 0.18 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.74 1sn6 h VAL 51 Cb 0.53 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1sn6 h VAL 51 CO 0.03 0.03 0.42 0.44 0.02 0.00 0.00 177.57 178.51 1sn6 h ASP 52 N 0.18 0.41 1.37 0.57 3.32 -1.02 0.44 116.42 121.69 1sn6 h ASP 52 Ca 0.41 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.42 1sn6 h ASP 52 Cb 0.72 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1sn6 h ASP 52 CO -0.58 0.25 -0.65 0.74 -1.72 0.00 0.00 179.24 177.28 1sn6 h THR 53 N 0.45 0.28 -2.65 0.35 2.02 0.47 -3.39 112.91 110.45 1sn6 h THR 53 Ca 0.29 -1.45 -0.60 0.00 0.77 0.00 0.00 66.41 65.41 1sn6 h THR 53 Cb 0.52 1.96 -0.40 0.00 -1.74 0.00 0.00 68.15 68.49 1sn6 h THR 53 CO -0.08 0.16 -0.79 -1.22 0.37 0.00 0.00 175.52 173.95 1sn6 n TYR 54 N -2.97 1.09 0.00 3.16 4.02 1.02 -4.87 117.16 118.61 1sn6 n TYR 54 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 57.90 54.10 1sn6 n TYR 54 Cb 0.64 -0.18 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 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 2.31 0.66 0.28 2.72 0.00 -0.24 -4.43 105.19 106.49 1sn6 n GLY 55 Ca 0.25 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.18 113.55 111.98 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 -2.46 0.00 -0.11 6.23 7.64 -1.26 -2.89 113.62 120.77 1sn6 n SER 57 Ca -0.01 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.92 1sn6 n SER 57 Cb 0.59 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.90 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 -0.89 -0.14 0.02 0.44 3.06 -1.18 0.22 119.36 120.90 1sn6 n ILE 58 Ca 0.00 0.70 -0.11 0.00 -2.50 0.00 0.00 62.75 60.84 1sn6 n ILE 58 Cb 0.00 -1.04 -0.09 0.00 0.54 0.00 0.00 39.64 39.06 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 -0.12 -0.26 9.51 3.38 -1.61 -3.27 115.31 122.94 1sn6 h LEU 59 Ca 0.20 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1sn6 h LEU 59 Cb 0.43 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1sn6 h LEU 59 CO -0.30 0.49 0.00 -1.20 0.09 0.00 0.00 178.44 177.52 1sn6 n SER 60 N -4.86 0.41 0.05 -0.43 7.64 0.58 -4.21 113.62 112.81 1sn6 n SER 60 Ca -0.08 -1.22 -0.03 0.00 1.01 0.00 0.00 58.87 58.55 1sn6 n SER 60 Cb 0.28 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.62 0.00 0.00 0.44 -0.00 0.27 -3.24 117.51 115.60 1sn6 h ILE 61 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 64.86 64.34 1sn6 h ILE 61 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 36.95 1sn6 h ILE 61 CO 0.00 0.00 0.41 0.18 -0.00 0.00 0.00 178.15 178.74 1sn6 n LEU 62 N -3.99 0.17 -0.06 2.19 4.77 -1.26 -1.79 117.00 117.02 1sn6 n LEU 62 Ca -0.02 0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1sn6 n LEU 62 Cb 0.08 -0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 1sn6 n LEU 62 CO 0.06 -0.44 0.18 -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 4.07 -1.75 -3.41 115.31 116.45 1sn6 h LEU 63 Ca 0.00 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.42 1sn6 h LEU 63 Cb 0.82 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1sn6 h LEU 63 CO 0.00 0.80 -0.15 -0.62 -1.08 0.00 0.00 178.44 177.39 1sn6 n GLU 64 N -4.67 0.00 0.16 1.13 -0.58 -0.74 -4.76 120.64 111.17 1sn6 n GLU 64 Ca -0.07 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.70 1sn6 n GLU 64 Cb 0.28 -0.23 0.15 0.00 -0.57 0.00 0.00 31.44 31.07 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 -3.25 0.05 -3.71 3.49 1.02 -1.19 -4.20 120.64 112.84 1sn6 n GLU 65 Ca 0.00 0.49 -0.12 0.00 -0.02 0.00 0.00 57.16 57.52 1sn6 n GLU 65 Cb 0.08 -2.19 -0.10 0.00 -0.02 0.00 0.00 31.44 29.21 1sn6 n GLU 65 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sn6 s VAL 66 N -3.09 -0.01 0.45 2.62 0.11 -1.18 -5.04 120.40 114.26 1sn6 s VAL 66 Ca -0.01 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.88 1sn6 s VAL 66 Cb 0.02 -0.61 -0.10 0.00 -1.53 0.00 0.00 36.38 34.16 1sn6 s VAL 66 CO 0.05 0.02 0.98 -0.44 -3.33 0.00 0.00 175.10 172.38 1sn6 s SER 67 N 0.83 6.73 0.40 3.54 0.01 -1.26 -4.35 113.70 119.60 1sn6 s SER 67 Ca -0.05 1.77 0.24 0.00 1.31 0.00 0.00 55.95 59.22 1sn6 s SER 67 Cb -0.06 -2.55 1.31 0.00 0.21 0.00 0.00 66.02 64.94 1sn6 s SER 67 CO -0.06 -0.51 1.72 1.55 0.41 0.00 0.00 173.24 176.35 1sn6 h PRO 68 N 1.79 0.00 0.00 12.44 0.13 -1.87 -2.38 132.00 142.11 1sn6 h PRO 68 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1sn6 h PRO 68 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1sn6 h PRO 68 CO 0.60 0.00 -0.50 0.93 -0.23 0.00 0.00 178.00 178.81 1sn6 h GLU 69 N 0.00 0.00 -0.97 0.86 5.08 -1.90 -3.18 114.58 114.47 1sn6 h GLU 69 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 1sn6 h GLU 69 Cb 0.18 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1sn6 h GLU 69 CO 0.00 0.66 0.63 1.25 -1.00 0.00 0.00 179.01 180.56 1sn6 h LEU 70 N -1.00 0.42 0.36 1.33 5.85 -1.83 -1.21 115.31 119.24 1sn6 h LEU 70 Ca -0.11 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1sn6 h LEU 70 Cb 0.85 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1sn6 h LEU 70 CO -0.07 0.14 -0.32 0.58 -0.34 0.00 0.00 178.44 178.43 1sn6 h VAL 71 N 0.41 0.00 -0.30 1.05 2.07 -1.53 0.29 116.25 118.24 1sn6 h VAL 71 Ca 0.52 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.13 1sn6 h VAL 71 Cb 1.31 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1sn6 h VAL 71 CO -0.22 0.00 0.91 0.00 0.02 0.00 0.00 177.57 178.28 1sn6 h SER 73 N 0.00 0.00 -0.98 0.00 0.87 -0.68 -3.19 113.55 109.57 1sn6 h SER 73 Ca 0.14 -0.19 0.19 0.00 -1.23 0.00 0.00 61.79 60.70 1sn6 h SER 73 Cb 1.97 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.83 1sn6 h SER 73 CO -0.00 0.82 0.61 0.24 -0.53 0.00 0.00 176.83 177.98 1sn6 h MET 74 N -1.00 0.69 0.00 2.24 2.86 0.33 1.48 114.93 121.53 1sn6 h MET 74 Ca -0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1sn6 h MET 74 Cb 0.54 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1sn6 h MET 74 CO -0.03 0.45 0.00 1.28 1.06 0.00 0.00 176.91 179.67 1sn6 n LEU 75 N -4.69 0.00 -3.89 1.22 4.77 0.13 -4.75 117.00 109.78 1sn6 n LEU 75 Ca 0.22 0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.99 1sn6 n LEU 75 Cb 0.58 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1sn6 n LEU 75 CO 0.24 -0.09 -0.02 1.41 -1.33 0.00 0.00 177.39 177.61 1sn6 n HIS 76 N -1.10 -1.81 0.65 -1.77 8.25 0.51 -4.79 115.22 115.17 1sn6 n HIS 76 Ca 0.02 0.69 0.12 0.00 -0.26 0.00 0.00 57.72 58.28 1sn6 n HIS 76 Cb 0.02 -2.97 0.12 0.00 1.12 0.00 0.00 29.99 28.27 1sn6 n HIS 76 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1sn6 n LEU 77 N -4.16 0.63 0.00 2.41 7.94 -1.20 -4.73 117.00 117.90 1sn6 n LEU 77 Ca 0.05 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 1sn6 n LEU 77 Cb 0.51 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.30 1sn6 n LEU 77 CO 0.72 0.02 0.00 0.00 -1.11 0.00 0.00 177.39 177.03 1sn6 s SER 79 N -3.10 5.28 0.30 0.00 0.01 -1.26 -4.69 113.70 110.24 1sn6 s SER 79 Ca 0.00 -0.73 0.23 0.00 1.31 0.00 0.00 55.95 56.77 1sn6 s SER 79 Cb 0.00 -2.56 0.31 0.00 0.21 0.00 0.00 66.02 63.98 1sn6 s SER 79 CO 0.00 -2.62 1.43 1.23 0.41 0.00 0.00 173.24 173.69 1sn6 h GLY 80 N 17.35 0.00 -0.25 3.44 0.00 -1.92 -3.43 103.07 118.26 1sn6 h GLY 80 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.18 1sn6 h GLY 80 CO 1.23 0.00 -0.20 1.47 0.00 0.00 0.00 176.54 179.04 1sn6 n LEU 81 N -2.73 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 106.30 1sn6 n LEU 81 Ca 0.03 -1.32 -0.42 0.00 -0.00 0.00 0.00 56.01 54.31 1sn6 n LEU 81 Cb 0.51 0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 44.20 1sn6 n LEU 81 CO 0.36 -0.20 0.63 0.68 -0.00 0.00 0.00 177.39 178.86 1sn6 s VAL 82 N -1.98 4.90 -0.04 1.47 -7.23 -1.26 -4.93 120.40 111.32 1sn6 s VAL 82 Ca 0.05 1.96 -0.39 0.00 -1.81 0.00 0.00 61.98 61.78 1sn6 s VAL 82 Cb 0.00 -4.27 -0.18 0.00 0.56 0.00 0.00 36.38 32.49 1sn6 s VAL 82 CO 0.03 0.18 1.33 -2.65 -0.31 0.00 0.00 175.10 173.68 1sn6 n PRO 83 N 3.88 0.69 0.00 4.82 -0.02 -1.26 -5.18 135.00 137.93 1sn6 n PRO 83 Ca 0.05 0.25 0.16 0.00 -2.02 0.00 0.00 63.50 61.93 1sn6 n PRO 83 Cb 0.51 -1.84 0.89 0.00 -0.02 0.00 0.00 33.50 33.04 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02