#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 -1.23 -0.10 -3.46 8.00 -1.26 -4.96 116.55 113.55 1sn6 n ASP 2 Ca 0.00 -2.29 -0.20 0.00 0.71 0.00 0.00 54.79 53.00 1sn6 n ASP 2 Cb 0.00 0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 41.63 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1sn6 h VAL 3 N 3.51 1.01 0.00 2.53 2.07 -2.01 -3.34 116.25 120.02 1sn6 h VAL 3 Ca -0.36 -2.17 -0.14 0.00 0.82 0.00 0.00 66.70 64.86 1sn6 h VAL 3 Cb 1.29 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 1sn6 h VAL 3 CO -0.10 0.34 -0.64 1.88 0.02 0.00 0.00 177.57 179.07 1sn6 h TYR 4 N -1.00 0.00 -0.80 1.57 -1.99 -1.94 -2.64 116.97 110.17 1sn6 h TYR 4 Ca -0.29 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.51 1sn6 h TYR 4 Cb 1.23 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.90 1sn6 h TYR 4 CO 0.12 0.64 0.47 0.00 -0.00 0.00 0.00 178.16 179.39 1sn6 h GLU 6 N 0.84 -0.00 -0.50 0.00 5.08 -1.65 -2.09 114.58 116.26 1sn6 h GLU 6 Ca 0.36 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.77 1sn6 h GLU 6 Cb 0.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1sn6 h GLU 6 CO -0.20 0.69 0.34 0.28 -1.00 0.00 0.00 179.01 179.12 1sn6 h VAL 7 N -0.70 1.01 0.00 3.13 2.07 -1.11 0.31 116.25 120.96 1sn6 h VAL 7 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1sn6 h VAL 7 Cb 0.69 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1sn6 h VAL 7 CO 0.00 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1sn6 n GLU 9 N -2.74 0.66 0.08 0.00 2.13 0.57 -2.71 120.64 118.63 1sn6 n GLU 9 Ca 0.04 0.19 -0.09 0.00 0.66 0.00 0.00 57.16 57.96 1sn6 n GLU 9 Cb 0.42 -1.68 -0.05 0.00 0.27 0.00 0.00 31.44 30.40 1sn6 n GLU 9 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1sn6 h PHE 10 N 0.01 0.23 0.00 4.31 3.57 -0.54 -2.69 116.94 121.81 1sn6 h PHE 10 Ca -0.40 -0.14 -0.13 0.00 3.53 0.00 0.00 57.97 60.83 1sn6 h PHE 10 Cb 2.09 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.79 1sn6 h PHE 10 CO 0.01 1.01 -0.74 -0.07 -2.23 0.00 0.00 178.31 176.29 1sn6 h LEU 11 N 0.07 0.00 -2.52 0.59 3.38 -1.61 -2.43 115.31 112.79 1sn6 h LEU 11 Ca -0.05 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 1sn6 h LEU 11 Cb 1.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1sn6 h LEU 11 CO 0.14 1.24 -0.01 0.58 0.09 0.00 0.00 178.44 180.48 1sn6 h VAL 12 N -1.00 0.43 0.10 1.22 2.07 -1.66 0.14 116.25 117.56 1sn6 h VAL 12 Ca -0.20 -0.05 -0.27 0.00 0.82 0.00 0.00 66.70 67.01 1sn6 h VAL 12 Cb 1.09 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1sn6 h VAL 12 CO -0.12 0.01 -1.40 0.50 0.02 0.00 0.00 177.57 176.58 1sn6 h LYS 13 N 0.00 0.21 -0.22 1.57 3.64 -1.59 -3.03 116.57 117.15 1sn6 h LYS 13 Ca -0.00 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1sn6 h LYS 13 Cb 0.03 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1sn6 h LYS 13 CO 0.00 1.17 0.01 1.49 -2.27 0.00 0.00 179.45 179.85 1sn6 h GLU 14 N -0.37 0.38 -0.52 1.90 4.81 -0.99 -2.08 114.58 117.72 1sn6 h GLU 14 Ca -0.31 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1sn6 h GLU 14 Cb 1.71 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.01 1sn6 h GLU 14 CO 0.03 0.56 0.25 -0.24 -0.73 0.00 0.00 179.01 178.88 1sn6 h VAL 15 N 0.15 0.94 -0.52 0.32 3.04 -0.89 -1.38 116.25 117.91 1sn6 h VAL 15 Ca 0.06 -0.17 0.10 0.00 -1.01 0.00 0.00 66.70 65.69 1sn6 h VAL 15 Cb 0.38 0.40 -0.09 0.00 -2.01 0.00 0.00 31.29 29.98 1sn6 h VAL 15 CO 0.01 0.09 -0.00 0.71 -1.01 0.00 0.00 177.57 177.37 1sn6 h THR 16 N 0.49 0.58 -1.01 3.17 1.35 -1.35 0.96 112.91 117.11 1sn6 h THR 16 Ca 0.23 -0.04 0.29 0.00 -0.55 0.00 0.00 66.41 66.34 1sn6 h THR 16 Cb 0.16 0.46 -0.13 0.00 -1.73 0.00 0.00 68.15 66.90 1sn6 h THR 16 CO -0.17 0.02 0.59 0.11 -0.25 0.00 0.00 175.52 175.82 1sn6 h LYS 17 N 0.11 0.43 0.12 4.72 1.57 -0.55 3.08 116.57 126.06 1sn6 h LYS 17 Ca 0.26 -0.03 -0.33 0.00 -1.87 0.00 0.00 60.65 58.69 1sn6 h LYS 17 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1sn6 h LYS 17 CO -0.44 0.29 -1.72 1.37 -0.57 0.00 0.00 179.45 178.38 1sn6 h LEU 18 N 0.45 0.40 -1.46 2.94 8.10 -0.72 -3.31 115.31 121.70 1sn6 h LEU 18 Ca 0.69 -0.88 0.00 0.00 0.11 0.00 0.00 57.88 57.80 1sn6 h LEU 18 Cb 1.47 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 41.56 1sn6 h LEU 18 CO -0.53 1.75 0.00 0.40 -4.11 0.00 0.00 178.44 175.95 1sn6 h ILE 19 N -0.14 0.00 -0.93 0.15 2.04 0.22 -2.85 117.51 116.01 1sn6 h ILE 19 Ca -0.37 -0.30 0.23 0.00 1.00 0.00 0.00 64.86 65.42 1sn6 h ILE 19 Cb 1.89 1.17 -0.17 0.00 -0.74 0.00 0.00 36.82 38.97 1sn6 h ILE 19 CO 0.06 0.00 -0.08 -0.67 0.00 0.00 0.00 178.15 177.46 1sn6 n ASP 20 N -2.75 -0.20 -0.87 1.72 2.03 1.01 -3.81 116.55 113.69 1sn6 n ASP 20 Ca 0.00 1.58 -0.05 0.00 0.52 0.00 0.00 54.79 56.84 1sn6 n ASP 20 Cb 0.22 -0.54 -0.05 0.00 -0.72 0.00 0.00 41.12 40.03 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 -5.42 -0.74 -0.03 1.67 5.03 -1.23 -4.95 115.26 109.59 1sn6 n ASN 21 Ca 0.19 -1.71 -0.13 0.00 0.87 0.00 0.00 54.58 53.80 1sn6 n ASN 21 Cb 0.61 0.22 -0.01 0.00 -1.02 0.00 0.00 39.78 39.58 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 0.81 -3.34 6.41 -0.00 -1.60 -3.42 115.58 114.44 1sn6 h ASN 22 Ca -0.42 -0.47 -0.65 0.00 -0.00 0.00 0.00 56.30 54.76 1sn6 h ASN 22 Cb 1.28 -0.24 -0.25 0.00 -0.00 0.00 0.00 38.32 39.12 1sn6 h ASN 22 CO -0.21 1.24 -0.71 -1.59 -0.00 0.00 0.00 177.43 176.16 1sn6 s LYS 23 N -3.93 3.52 0.00 4.14 0.00 -1.26 -5.12 119.74 117.09 1sn6 s LYS 23 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 55.97 55.29 1sn6 s LYS 23 Cb 0.10 -2.87 0.00 0.00 0.00 0.00 0.00 37.83 35.06 1sn6 s LYS 23 CO 0.88 0.11 0.00 0.25 0.00 0.00 0.00 175.35 176.59 1sn6 n THR 24 N 3.88 0.00 -0.50 3.79 -2.24 -1.26 -4.98 114.28 112.96 1sn6 n THR 24 Ca -0.18 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.71 1sn6 n THR 24 Cb 0.52 -1.77 0.35 0.00 -2.10 0.00 0.00 70.33 67.32 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 -0.98 3.25 0.03 -0.78 1.02 -1.26 -4.29 120.64 117.62 1sn6 n GLU 25 Ca 0.00 -2.79 -0.21 0.00 -0.02 0.00 0.00 57.16 54.13 1sn6 n GLU 25 Cb 0.00 -1.74 -0.14 0.00 -0.02 0.00 0.00 31.44 29.54 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 4.24 0.28 0.00 3.49 1.57 -2.00 -3.00 116.57 121.15 1sn6 h LYS 26 Ca 0.00 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1sn6 h LYS 26 Cb 1.23 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1sn6 h LYS 26 CO 0.12 1.23 0.00 -0.85 -0.57 0.00 0.00 179.45 179.37 1sn6 n GLU 27 N -3.94 0.12 0.00 3.15 0.28 -1.26 -2.76 120.64 116.23 1sn6 n GLU 27 Ca -0.22 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1sn6 n GLU 27 Cb 0.90 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 32.12 1sn6 n GLU 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1sn6 n ILE 28 N -1.86 0.00 -0.41 3.84 2.08 -1.24 -1.83 119.36 119.94 1sn6 n ILE 28 Ca 0.05 0.40 0.38 0.00 0.56 0.00 0.00 62.75 64.15 1sn6 n ILE 28 Cb 0.34 -1.24 0.74 0.00 -0.75 0.00 0.00 39.64 38.73 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 0.05 -0.02 1.39 3.38 -1.66 0.79 115.31 119.24 1sn6 h LEU 29 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1sn6 h LEU 29 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1sn6 h LEU 29 CO 0.00 -0.00 -0.06 -0.78 0.09 0.00 0.00 178.44 177.69 1sn6 h ASP 30 N 0.04 0.09 -0.64 -0.43 3.58 -1.64 -3.03 116.42 114.39 1sn6 h ASP 30 Ca 0.66 -0.61 0.13 0.00 0.42 0.00 0.00 57.03 57.62 1sn6 h ASP 30 Cb 2.52 -0.03 -0.12 0.00 1.72 0.00 0.00 39.33 43.42 1sn6 h ASP 30 CO -0.06 0.68 -0.20 0.00 -2.88 0.00 0.00 179.24 176.78 1sn6 h ALA 31 N 0.41 0.32 -0.96 -0.78 0.00 0.14 0.98 119.26 119.37 1sn6 h ALA 31 Ca -0.00 0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.33 1sn6 h ALA 31 Cb 0.67 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1sn6 h ALA 31 CO 0.01 -0.48 0.55 0.74 0.00 0.00 0.00 179.25 180.08 1sn6 h PHE 32 N -0.04 0.97 0.00 0.00 0.04 -1.29 2.68 116.94 119.30 1sn6 h PHE 32 Ca 0.30 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.10 1sn6 h PHE 32 Cb 0.50 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1sn6 h PHE 32 CO -0.55 0.20 0.00 -0.25 -0.60 0.00 0.00 178.31 177.11 1sn6 n ASP 33 N -4.81 0.00 -0.01 2.17 8.00 0.34 -1.27 116.55 120.96 1sn6 n ASP 33 Ca 0.22 0.43 -0.01 0.00 0.71 0.00 0.00 54.79 56.13 1sn6 n ASP 33 Cb 0.55 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sn6 n LYS 34 N -1.44 0.09 -0.07 -1.24 5.02 0.88 -4.31 118.16 117.09 1sn6 n LYS 34 Ca 0.01 0.03 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1sn6 n LYS 34 Cb 0.03 -0.52 -0.04 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.16 0.34 -0.71 1.97 2.86 -1.02 -1.13 114.93 117.07 1sn6 h MET 35 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1sn6 h MET 35 Cb 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1sn6 h MET 35 CO 0.00 0.43 0.00 0.00 1.06 0.00 0.00 176.91 178.40 1sn6 n SER 37 N 0.03 1.71 0.03 0.00 3.41 -0.43 -4.14 113.62 114.23 1sn6 n SER 37 Ca 0.00 0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 1sn6 n SER 37 Cb 0.18 -0.51 0.26 0.00 -0.26 0.00 0.00 64.21 63.88 1sn6 n SER 37 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1sn6 n LYS 38 N -3.31 0.14 -1.55 4.33 2.85 -1.15 -4.92 118.16 114.55 1sn6 n LYS 38 Ca -0.31 0.05 -0.40 0.00 -1.05 0.00 0.00 58.31 56.60 1sn6 n LYS 38 Cb 1.05 -1.59 0.02 0.00 -0.65 0.00 0.00 35.03 33.86 1sn6 n LYS 38 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1sn6 n LEU 39 N -1.80 1.91 -4.26 -5.58 7.94 -1.25 -4.89 117.00 109.07 1sn6 n LEU 39 Ca 0.05 0.90 -0.32 0.00 -1.11 0.00 0.00 56.01 55.52 1sn6 n LEU 39 Cb 0.39 -1.27 0.17 0.00 0.53 0.00 0.00 43.42 43.23 1sn6 n LEU 39 CO 0.35 -2.18 -0.56 -2.65 -1.11 0.00 0.00 177.39 171.23 1sn6 n PRO 40 N -0.05 -1.67 0.32 1.96 -0.02 -1.26 -4.61 135.00 129.67 1sn6 n PRO 40 Ca 0.11 -0.47 -0.14 0.00 -2.02 0.00 0.00 63.50 60.98 1sn6 n PRO 40 Cb 0.43 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.16 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 -2.10 -0.81 -0.42 -0.52 3.11 -1.97 -1.33 116.57 112.53 1sn6 h LYS 41 Ca -0.52 0.06 0.04 0.00 -2.81 0.00 0.00 60.65 57.42 1sn6 h LYS 41 Cb 1.34 0.18 -0.07 0.00 -1.00 0.00 0.00 32.23 32.69 1sn6 h LYS 41 CO 0.37 -0.51 -0.42 0.77 -2.81 0.00 0.00 179.45 176.85 1sn6 h SER 42 N -1.17 -1.45 0.08 4.20 0.02 -2.01 0.33 113.55 113.56 1sn6 h SER 42 Ca -0.09 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1sn6 h SER 42 Cb 0.67 0.61 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1sn6 h SER 42 CO 0.14 -0.27 0.00 0.18 -1.14 0.00 0.00 176.83 175.75 1sn6 n LEU 43 N -4.68 0.00 0.08 5.07 4.77 -1.25 -2.17 117.00 118.82 1sn6 n LEU 43 Ca -0.02 0.06 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 1sn6 n LEU 43 Cb 0.24 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1sn6 n LEU 43 CO -0.03 -0.02 -0.03 -1.28 -1.33 0.00 0.00 177.39 174.71 1sn6 h SER 44 N 0.00 0.00 0.47 -1.43 0.87 0.84 -2.33 113.55 111.97 1sn6 h SER 44 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 1sn6 h SER 44 Cb 0.04 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1sn6 h SER 44 CO 0.00 0.32 -1.42 -0.33 -0.53 0.00 0.00 176.83 174.87 1sn6 h GLU 45 N 0.00 0.32 0.00 2.24 4.39 -0.82 -2.71 114.58 118.01 1sn6 h GLU 45 Ca -0.08 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.07 1sn6 h GLU 45 Cb 1.31 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1sn6 h GLU 45 CO 0.03 1.23 -0.05 0.93 -1.16 0.00 0.00 179.01 179.99 1sn6 h GLU 46 N 0.09 0.00 0.00 2.33 5.08 -1.62 -1.19 114.58 119.27 1sn6 h GLU 46 Ca -0.21 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1sn6 h GLU 46 Cb 2.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 1sn6 h GLU 46 CO 0.20 0.00 -0.87 0.00 -1.00 0.00 0.00 179.01 177.34 1sn6 n GLN 48 N -3.05 0.64 -0.04 0.00 1.13 -1.02 -2.88 117.38 112.16 1sn6 n GLN 48 Ca -0.02 0.13 -0.14 0.00 -1.94 0.00 0.00 57.00 55.02 1sn6 n GLN 48 Cb 0.75 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 29.32 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 0.39 -0.56 -1.09 4.57 -1.29 -3.02 114.58 113.59 1sn6 h GLU 49 Ca -0.27 -0.27 -0.07 0.00 -1.18 0.00 0.00 59.36 57.58 1sn6 h GLU 49 Cb 1.78 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.39 1sn6 h GLU 49 CO 0.04 0.88 0.09 -0.24 -1.18 0.00 0.00 179.01 178.60 1sn6 h VAL 50 N -0.03 1.26 -0.67 0.32 3.04 -1.56 -2.80 116.25 115.81 1sn6 h VAL 50 Ca -0.00 -0.97 0.13 0.00 -1.01 0.00 0.00 66.70 64.85 1sn6 h VAL 50 Cb 0.88 0.79 -0.13 0.00 -2.01 0.00 0.00 31.29 30.82 1sn6 h VAL 50 CO 0.06 0.35 -0.24 0.58 -1.01 0.00 0.00 177.57 177.31 1sn6 h VAL 51 N 0.83 0.24 -0.81 1.51 2.07 -1.48 3.90 116.25 122.50 1sn6 h VAL 51 Ca 0.17 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.86 1sn6 h VAL 51 Cb 0.41 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 1sn6 h VAL 51 CO 0.01 0.00 0.54 -0.78 0.02 0.00 0.00 177.57 177.36 1sn6 h ASP 52 N -0.06 0.37 1.31 0.57 3.58 -1.37 0.70 116.42 121.53 1sn6 h ASP 52 Ca 0.30 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.72 1sn6 h ASP 52 Cb 0.53 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1sn6 h ASP 52 CO -0.71 0.18 -0.71 0.74 -2.88 0.00 0.00 179.24 175.85 1sn6 h THR 53 N 0.39 0.30 -2.17 2.25 2.02 0.51 -3.39 112.91 112.83 1sn6 h THR 53 Ca 0.41 -1.49 -0.58 0.00 0.77 0.00 0.00 66.41 65.51 1sn6 h THR 53 Cb 1.00 1.95 -0.40 0.00 -1.74 0.00 0.00 68.15 68.96 1sn6 h THR 53 CO -0.13 0.17 -0.85 -1.22 0.37 0.00 0.00 175.52 173.86 1sn6 n TYR 54 N -2.96 1.53 0.11 3.16 4.02 1.08 -4.75 117.16 119.36 1sn6 n TYR 54 Ca -0.01 -3.84 0.00 0.00 -0.01 0.00 0.00 57.90 54.04 1sn6 n TYR 54 Cb 0.65 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 1.29 -0.24 0.12 2.72 0.00 0.31 -4.50 105.19 104.88 1sn6 n GLY 55 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.85 -3.34 113.55 114.61 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 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1sn6 h SER 56 CO 0.00 0.14 -0.25 0.28 -0.87 0.00 0.00 176.83 176.13 1sn6 h SER 57 N 0.00 0.00 -0.64 4.97 0.02 -1.90 -2.87 113.55 113.13 1sn6 h SER 57 Ca -0.03 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.12 1sn6 h SER 57 Cb 1.14 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.56 1sn6 h SER 57 CO 0.01 0.40 0.10 0.00 -1.14 0.00 0.00 176.83 176.20 1sn6 n ILE 58 N -3.54 -0.27 0.07 3.27 3.06 -1.26 0.28 119.36 120.97 1sn6 n ILE 58 Ca -0.04 1.38 -0.11 0.00 -2.50 0.00 0.00 62.75 61.49 1sn6 n ILE 58 Cb 0.13 -2.08 -0.13 0.00 0.54 0.00 0.00 39.64 38.10 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 0.18 -2.05 9.51 3.38 -1.74 -3.32 115.31 121.28 1sn6 h LEU 59 Ca 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1sn6 h LEU 59 Cb 0.97 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1sn6 h LEU 59 CO -0.57 1.17 0.00 -1.20 0.09 0.00 0.00 178.44 177.92 1sn6 n SER 60 N -3.40 3.13 -0.02 -0.43 7.64 0.78 -4.48 113.62 116.83 1sn6 n SER 60 Ca -0.06 -1.98 -0.01 0.00 1.01 0.00 0.00 58.87 57.83 1sn6 n SER 60 Cb 0.99 -0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 64.08 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 4.52 0.00 0.00 0.44 -0.00 0.40 -3.16 117.51 119.71 1sn6 h ILE 61 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 64.52 1sn6 h ILE 61 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.79 1sn6 h ILE 61 CO 0.00 0.00 0.41 -0.07 -0.00 0.00 0.00 178.15 178.49 1sn6 h LEU 62 N -0.34 0.00 0.00 2.19 4.07 -1.79 -2.13 115.31 117.31 1sn6 h LEU 62 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1sn6 h LEU 62 Cb 0.16 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1sn6 h LEU 62 CO 0.00 0.00 -0.58 -0.07 -1.08 0.00 0.00 178.44 176.71 1sn6 h LEU 63 N 0.00 0.00 0.00 1.67 4.07 -1.72 -3.38 115.31 115.95 1sn6 h LEU 63 Ca 0.00 -0.59 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1sn6 h LEU 63 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1sn6 h LEU 63 CO 0.00 1.13 -0.21 -0.62 -1.08 0.00 0.00 178.44 177.66 1sn6 n GLU 64 N -4.55 0.00 0.05 1.13 1.02 -0.93 -4.61 120.64 112.74 1sn6 n GLU 64 Ca -0.18 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 56.98 1sn6 n GLU 64 Cb 0.49 -0.49 0.11 0.00 -0.02 0.00 0.00 31.44 31.54 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 -3.39 0.03 -3.96 3.49 1.02 -1.16 -4.38 120.64 112.29 1sn6 n GLU 65 Ca 0.00 0.37 -0.08 0.00 -0.02 0.00 0.00 57.16 57.43 1sn6 n GLU 65 Cb 0.11 -1.85 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 1sn6 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sn6 s VAL 66 N -2.80 0.17 0.13 2.62 1.01 -0.85 -5.00 120.40 115.67 1sn6 s VAL 66 Ca -0.00 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.64 1sn6 s VAL 66 Cb 0.01 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1sn6 s VAL 66 CO 0.04 -0.75 0.17 -0.44 0.00 0.00 0.00 175.10 174.12 1sn6 s SER 67 N -2.64 5.84 0.24 3.32 0.01 -1.26 -4.15 113.70 115.06 1sn6 s SER 67 Ca 0.02 0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 1sn6 s SER 67 Cb 0.04 -1.64 0.37 0.00 0.21 0.00 0.00 66.02 65.00 1sn6 s SER 67 CO -0.09 0.10 1.82 1.55 0.41 0.00 0.00 173.24 177.03 1sn6 h PRO 68 N 2.58 0.81 -0.33 12.44 0.13 -1.86 -2.43 132.00 143.33 1sn6 h PRO 68 Ca -0.47 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1sn6 h PRO 68 Cb 1.19 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1sn6 h PRO 68 CO 0.67 0.54 0.19 1.49 -0.23 0.00 0.00 178.00 180.65 1sn6 h GLU 69 N 0.83 0.46 -0.56 0.86 4.81 -1.89 -2.64 114.58 116.45 1sn6 h GLU 69 Ca 0.38 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.67 1sn6 h GLU 69 Cb 0.29 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 1sn6 h GLU 69 CO -0.22 0.37 0.12 1.25 -0.73 0.00 0.00 179.01 179.79 1sn6 h LEU 70 N 0.42 0.00 -0.72 1.64 5.85 -1.85 -1.01 115.31 119.64 1sn6 h LEU 70 Ca 0.12 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.08 1sn6 h LEU 70 Cb 0.03 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.07 1sn6 h LEU 70 CO -0.02 0.02 -0.24 0.58 -0.34 0.00 0.00 178.44 178.44 1sn6 h VAL 71 N 0.25 0.21 -1.02 1.05 2.07 -1.28 2.17 116.25 119.70 1sn6 h VAL 71 Ca 0.29 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.08 1sn6 h VAL 71 Cb 0.41 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1sn6 h VAL 71 CO -0.37 0.00 0.69 0.00 0.02 0.00 0.00 177.57 177.91 1sn6 h SER 73 N 0.24 -0.16 -0.77 0.00 0.02 0.36 -2.08 113.55 111.16 1sn6 h SER 73 Ca 0.54 -0.37 0.16 0.00 -0.84 0.00 0.00 61.79 61.27 1sn6 h SER 73 Cb 1.64 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 64.12 1sn6 h SER 73 CO -0.16 0.43 0.27 0.24 -1.14 0.00 0.00 176.83 176.46 1sn6 h MET 74 N -0.89 0.36 0.00 3.45 2.86 0.12 0.80 114.93 121.63 1sn6 h MET 74 Ca -0.02 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1sn6 h MET 74 Cb 0.52 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1sn6 h MET 74 CO 0.03 0.24 -0.11 -0.07 1.06 0.00 0.00 176.91 178.06 1sn6 h LEU 75 N 0.37 0.00 -1.18 1.22 3.38 0.03 -3.46 115.31 115.67 1sn6 h LEU 75 Ca 0.44 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.14 1sn6 h LEU 75 Cb 0.72 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.58 1sn6 h LEU 75 CO -0.46 0.11 -0.50 1.57 0.09 0.00 0.00 178.44 179.25 1sn6 n HIS 76 N -3.82 -1.88 0.10 1.13 -0.00 0.28 -4.91 115.22 106.12 1sn6 n HIS 76 Ca -0.02 0.70 -0.02 0.00 0.46 0.00 0.00 57.72 58.84 1sn6 n HIS 76 Cb 0.21 -3.97 -0.05 0.00 -0.12 0.00 0.00 29.99 26.07 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1sn6 h LEU 77 N -1.72 0.00 -2.53 0.27 5.85 -1.76 -3.24 115.31 112.17 1sn6 h LEU 77 Ca -0.41 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1sn6 h LEU 77 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1sn6 h LEU 77 CO 0.38 0.73 0.02 0.00 -0.34 0.00 0.00 178.44 179.23 1sn6 s SER 79 N 1.42 5.22 0.15 0.00 1.04 -1.23 -4.78 113.70 115.52 1sn6 s SER 79 Ca 0.01 1.56 0.12 0.00 0.48 0.00 0.00 55.95 58.13 1sn6 s SER 79 Cb 0.01 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 1sn6 s SER 79 CO 0.00 -2.20 1.19 1.23 0.98 0.00 0.00 173.24 174.44 1sn6 h GLY 80 N 16.21 0.00 -0.25 7.32 0.00 -1.94 -3.47 103.07 120.94 1sn6 h GLY 80 Ca -0.35 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.74 1sn6 h GLY 80 CO 1.03 0.00 -0.19 1.47 0.00 0.00 0.00 176.54 178.85 1sn6 n LEU 81 N -3.18 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 105.85 1sn6 n LEU 81 Ca -0.03 -1.24 -0.41 0.00 -0.00 0.00 0.00 56.01 54.32 1sn6 n LEU 81 Cb 0.86 0.29 -0.04 0.00 -0.00 0.00 0.00 43.42 44.54 1sn6 n LEU 81 CO 0.44 -0.19 0.59 0.68 -0.00 0.00 0.00 177.39 178.91 1sn6 s VAL 82 N -1.96 4.92 0.33 1.47 -7.23 -1.26 -4.97 120.40 111.70 1sn6 s VAL 82 Ca 0.05 1.86 -0.26 0.00 -1.81 0.00 0.00 61.98 61.82 1sn6 s VAL 82 Cb 0.00 -4.23 -0.14 0.00 0.56 0.00 0.00 36.38 32.58 1sn6 s VAL 82 CO 0.03 0.19 0.79 -2.65 -0.31 0.00 0.00 175.10 173.14 1sn6 n PRO 83 N 3.89 0.89 0.00 4.82 -0.02 -1.26 -5.20 135.00 138.12 1sn6 n PRO 83 Ca 0.04 0.32 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1sn6 n PRO 83 Cb 0.51 -1.62 0.83 0.00 -0.02 0.00 0.00 33.50 33.19 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02