#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 -5.82 -0.09 6.43 9.92 -1.26 -4.94 116.55 120.78 1sn6 n ASP 2 Ca 0.00 -0.86 -0.12 0.00 -0.53 0.00 0.00 54.79 53.28 1sn6 n ASP 2 Cb 0.00 -3.81 -0.05 0.00 -0.64 0.00 0.00 41.12 36.62 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 -3.65 1.48 0.10 2.53 0.31 -1.26 -4.19 118.33 113.64 1sn6 n VAL 3 Ca -0.09 0.07 -0.04 0.00 -0.01 0.00 0.00 64.34 64.27 1sn6 n VAL 3 Cb 0.59 -2.26 0.12 0.00 -0.91 0.00 0.00 33.84 31.39 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 -1.00 0.23 -0.87 3.52 -1.99 -1.92 -2.35 116.97 112.59 1sn6 h TYR 4 Ca -0.14 -0.09 0.08 0.00 2.00 0.00 0.00 58.73 60.58 1sn6 h TYR 4 Cb 0.94 -0.04 -0.07 0.00 2.00 0.00 0.00 36.73 39.56 1sn6 h TYR 4 CO -0.23 0.75 0.52 0.00 -0.00 0.00 0.00 178.16 179.20 1sn6 h GLU 6 N 0.90 -0.00 0.00 0.00 4.39 -1.70 -2.70 114.58 115.47 1sn6 h GLU 6 Ca 0.40 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 1sn6 h GLU 6 Cb 0.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1sn6 h GLU 6 CO -0.22 0.83 -0.04 0.28 -1.16 0.00 0.00 179.01 178.71 1sn6 h VAL 7 N -0.83 0.55 0.00 3.13 2.07 -1.12 -0.08 116.25 119.96 1sn6 h VAL 7 Ca -0.00 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 1sn6 h VAL 7 Cb 0.83 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1sn6 h VAL 7 CO 0.00 0.04 -0.55 0.00 0.02 0.00 0.00 177.57 177.08 1sn6 n GLU 9 N -3.19 0.62 0.03 0.00 1.02 -0.37 -2.53 120.64 116.22 1sn6 n GLU 9 Ca 0.01 0.16 -0.20 0.00 -0.02 0.00 0.00 57.16 57.11 1sn6 n GLU 9 Cb 0.73 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 1sn6 n GLU 9 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sn6 h PHE 10 N 0.00 0.97 0.00 -0.32 3.57 -1.13 -2.61 116.94 117.42 1sn6 h PHE 10 Ca -0.13 -0.53 -0.03 0.00 3.53 0.00 0.00 57.97 60.81 1sn6 h PHE 10 Cb 1.42 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1sn6 h PHE 10 CO 0.00 1.36 -0.19 -0.07 -2.23 0.00 0.00 178.31 177.18 1sn6 h LEU 11 N 0.30 0.00 -2.36 0.59 3.38 -1.68 -2.05 115.31 113.49 1sn6 h LEU 11 Ca -0.12 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 57.08 1sn6 h LEU 11 Cb 1.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1sn6 h LEU 11 CO 0.19 1.01 0.17 0.58 0.09 0.00 0.00 178.44 180.48 1sn6 h VAL 12 N -1.00 0.31 0.04 1.22 2.07 -1.64 0.15 116.25 117.40 1sn6 h VAL 12 Ca -0.05 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.24 1sn6 h VAL 12 Cb 0.93 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1sn6 h VAL 12 CO -0.03 0.00 -1.21 0.50 0.02 0.00 0.00 177.57 176.85 1sn6 h LYS 13 N 0.00 0.09 -0.23 1.57 3.64 -1.52 -3.02 116.57 117.10 1sn6 h LYS 13 Ca 0.05 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1sn6 h LYS 13 Cb 0.38 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1sn6 h LYS 13 CO -0.00 1.08 0.11 1.49 -2.27 0.00 0.00 179.45 179.85 1sn6 h GLU 14 N -0.70 0.34 -0.38 1.90 4.22 -0.79 -1.46 114.58 117.72 1sn6 h GLU 14 Ca -0.30 -0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.13 1sn6 h GLU 14 Cb 1.46 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1sn6 h GLU 14 CO -0.08 0.36 0.15 -0.24 -2.18 0.00 0.00 179.01 177.02 1sn6 h VAL 15 N 0.24 0.92 -0.42 0.32 3.04 -0.90 -1.81 116.25 117.64 1sn6 h VAL 15 Ca 0.08 -0.11 0.09 0.00 -1.01 0.00 0.00 66.70 65.75 1sn6 h VAL 15 Cb 0.13 0.57 -0.08 0.00 -2.01 0.00 0.00 31.29 29.90 1sn6 h VAL 15 CO -0.01 0.06 -0.13 0.71 -1.01 0.00 0.00 177.57 177.19 1sn6 h THR 16 N 0.32 0.53 -1.10 3.17 1.35 -1.32 0.90 112.91 116.77 1sn6 h THR 16 Ca 0.17 0.00 0.35 0.00 -0.55 0.00 0.00 66.41 66.38 1sn6 h THR 16 Cb 0.13 0.53 -0.14 0.00 -1.73 0.00 0.00 68.15 66.94 1sn6 h THR 16 CO -0.16 0.00 0.67 0.11 -0.25 0.00 0.00 175.52 175.89 1sn6 h LYS 17 N -0.03 0.23 0.09 4.72 1.79 -0.38 2.91 116.57 125.91 1sn6 h LYS 17 Ca 0.21 -0.01 -0.35 0.00 -2.18 0.00 0.00 60.65 58.32 1sn6 h LYS 17 Cb 0.34 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1sn6 h LYS 17 CO -0.45 0.15 -1.92 1.47 -1.08 0.00 0.00 179.45 177.62 1sn6 n LEU 18 N -4.90 2.50 0.28 2.94 -0.00 0.25 -3.96 117.00 114.12 1sn6 n LEU 18 Ca 0.33 0.22 0.18 0.00 -0.00 0.00 0.00 56.01 56.75 1sn6 n LEU 18 Cb 1.12 -1.07 0.82 0.00 -0.00 0.00 0.00 43.42 44.29 1sn6 n LEU 18 CO 0.15 0.75 1.03 0.40 -0.00 0.00 0.00 177.39 179.71 1sn6 h ILE 19 N -0.17 0.00 -0.82 1.47 2.04 0.26 -3.07 117.51 117.23 1sn6 h ILE 19 Ca -0.43 -0.33 0.25 0.00 1.00 0.00 0.00 64.86 65.35 1sn6 h ILE 19 Cb 1.88 1.29 -0.15 0.00 -0.74 0.00 0.00 36.82 39.09 1sn6 h ILE 19 CO 0.00 0.00 0.10 -0.67 0.00 0.00 0.00 178.15 177.58 1sn6 n ASP 20 N -2.99 -0.02 -2.60 1.72 2.03 0.96 -3.42 116.55 112.22 1sn6 n ASP 20 Ca -0.00 1.39 -0.02 0.00 0.52 0.00 0.00 54.79 56.67 1sn6 n ASP 20 Cb 0.23 -0.54 0.12 0.00 -0.72 0.00 0.00 41.12 40.21 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 -5.11 -1.43 0.08 1.67 4.13 -1.23 -4.96 115.26 108.41 1sn6 n ASN 21 Ca 0.22 -2.19 -0.17 0.00 1.68 0.00 0.00 54.58 54.12 1sn6 n ASN 21 Cb 0.71 0.67 -0.14 0.00 -1.54 0.00 0.00 39.78 39.48 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 0.95 0.41 -3.40 6.41 -0.00 -1.55 -3.45 115.58 114.96 1sn6 h ASN 22 Ca -0.44 -0.51 -0.51 0.00 -0.00 0.00 0.00 56.30 54.84 1sn6 h ASN 22 Cb 1.30 -0.13 -0.34 0.00 -0.00 0.00 0.00 38.32 39.14 1sn6 h ASN 22 CO -0.19 1.41 -0.81 -1.59 -0.00 0.00 0.00 177.43 176.25 1sn6 s LYS 23 N -2.63 1.65 0.00 4.14 0.00 -1.26 -5.12 119.74 116.52 1sn6 s LYS 23 Ca -0.07 -0.39 0.00 0.00 0.00 0.00 0.00 55.97 55.51 1sn6 s LYS 23 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 37.83 36.50 1sn6 s LYS 23 CO 0.87 -0.00 0.00 0.25 0.00 0.00 0.00 175.35 176.46 1sn6 n THR 24 N 3.92 0.00 0.59 3.79 -2.24 -1.26 -4.96 114.28 114.12 1sn6 n THR 24 Ca -0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1sn6 n THR 24 Cb 0.51 -1.64 0.18 0.00 -2.10 0.00 0.00 70.33 67.29 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 -0.94 2.17 0.04 -0.78 4.71 -1.26 -3.96 120.64 120.63 1sn6 n GLU 25 Ca 0.00 -1.44 -0.22 0.00 -0.01 0.00 0.00 57.16 55.49 1sn6 n GLU 25 Cb 0.00 -1.45 -0.14 0.00 -1.01 0.00 0.00 31.44 28.84 1sn6 n GLU 25 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1sn6 h LYS 26 N 2.19 0.33 0.00 3.49 1.79 -2.00 -3.00 116.57 119.37 1sn6 h LYS 26 Ca 0.00 -0.56 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 1sn6 h LYS 26 Cb 0.70 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1sn6 h LYS 26 CO 0.06 1.27 0.00 0.39 -1.08 0.00 0.00 179.45 180.09 1sn6 n GLU 27 N -3.72 0.15 0.00 3.15 -0.58 -1.25 -2.76 120.64 115.63 1sn6 n GLU 27 Ca -0.25 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1sn6 n GLU 27 Cb 1.00 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 -2.01 0.00 -0.27 -3.67 2.08 -1.23 -2.25 119.36 112.01 1sn6 n ILE 28 Ca 0.04 0.31 0.33 0.00 0.56 0.00 0.00 62.75 64.00 1sn6 n ILE 28 Cb 0.31 -1.03 0.69 0.00 -0.75 0.00 0.00 39.64 38.86 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 0.01 1.39 4.07 -1.67 1.13 115.31 120.25 1sn6 h LEU 29 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 1sn6 h LEU 29 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1sn6 h LEU 29 CO 0.00 0.00 -0.01 0.44 -1.08 0.00 0.00 178.44 177.79 1sn6 h ASP 30 N 0.00 -0.02 -0.51 -0.43 5.19 -1.66 -2.88 116.42 116.12 1sn6 h ASP 30 Ca 0.53 -0.55 0.10 0.00 -0.62 0.00 0.00 57.03 56.49 1sn6 h ASP 30 Cb 2.42 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 41.83 1sn6 h ASP 30 CO -0.01 0.55 -0.23 0.00 -3.12 0.00 0.00 179.24 176.43 1sn6 h ALA 31 N 0.38 0.13 -0.97 3.45 0.00 0.17 0.60 119.26 123.03 1sn6 h ALA 31 Ca -0.00 0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.30 1sn6 h ALA 31 Cb 0.56 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 1sn6 h ALA 31 CO 0.00 -0.56 0.54 0.74 0.00 0.00 0.00 179.25 179.97 1sn6 h PHE 32 N -0.11 0.93 0.00 0.00 0.04 -1.23 2.79 116.94 119.36 1sn6 h PHE 32 Ca 0.24 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.04 1sn6 h PHE 32 Cb 0.48 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1sn6 h PHE 32 CO -0.52 0.10 0.00 -0.25 -0.60 0.00 0.00 178.31 177.04 1sn6 n ASP 33 N -4.89 0.10 -0.02 2.17 9.92 0.21 -1.12 116.55 122.92 1sn6 n ASP 33 Ca 0.24 0.54 -0.02 0.00 -0.53 0.00 0.00 54.79 55.02 1sn6 n ASP 33 Cb 0.65 -0.56 -0.01 0.00 -0.64 0.00 0.00 41.12 40.57 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 -1.63 0.13 -0.03 -1.24 5.02 0.92 -4.23 118.16 117.10 1sn6 n LYS 34 Ca 0.01 0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 1sn6 n LYS 34 Cb 0.05 -0.67 -0.06 0.00 -0.02 0.00 0.00 35.03 34.33 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 -0.24 0.21 -0.36 1.97 2.86 -1.14 -1.36 114.93 116.87 1sn6 h MET 35 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1sn6 h MET 35 Cb 0.24 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1sn6 h MET 35 CO 0.00 0.38 0.00 0.00 1.06 0.00 0.00 176.91 178.35 1sn6 h SER 37 N 0.20 0.33 1.39 0.00 0.87 -1.27 -3.32 113.55 111.74 1sn6 h SER 37 Ca 0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 1sn6 h SER 37 Cb 0.18 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1sn6 h SER 37 CO 0.00 1.52 0.00 0.07 -0.53 0.00 0.00 176.83 177.89 1sn6 h LYS 38 N -0.44 0.00 -6.65 2.24 2.10 -1.66 -3.46 116.57 108.71 1sn6 h LYS 38 Ca -0.26 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.81 1sn6 h LYS 38 Cb 1.64 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 33.08 1sn6 h LYS 38 CO 0.04 0.00 0.38 -0.11 -2.00 0.00 0.00 179.45 177.76 1sn6 n LEU 39 N -2.44 2.94 -4.66 7.07 7.94 -1.25 -4.82 117.00 121.77 1sn6 n LEU 39 Ca 0.04 1.20 -0.46 0.00 -1.11 0.00 0.00 56.01 55.68 1sn6 n LEU 39 Cb 0.40 -1.42 -0.04 0.00 0.53 0.00 0.00 43.42 42.89 1sn6 n LEU 39 CO 0.29 -0.80 1.09 -2.65 -1.11 0.00 0.00 177.39 174.22 1sn6 n PRO 40 N 0.66 1.98 -0.27 1.96 -0.02 -1.26 -4.47 135.00 133.57 1sn6 n PRO 40 Ca 0.07 0.71 0.17 0.00 -2.02 0.00 0.00 63.50 62.43 1sn6 n PRO 40 Cb 0.34 -2.43 0.33 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.86 -0.06 0.17 -0.52 4.81 -1.26 0.37 118.16 124.53 1sn6 n LYS 41 Ca 0.15 1.18 -0.12 0.00 -0.87 0.00 0.00 58.31 58.65 1sn6 n LYS 41 Cb 0.28 -1.96 -0.07 0.00 0.02 0.00 0.00 35.03 33.31 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 -1.01 0.15 3.14 0.02 -2.00 0.10 113.55 113.95 1sn6 h SER 42 Ca 0.57 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 1sn6 h SER 42 Cb 1.32 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1sn6 h SER 42 CO -0.71 -0.44 0.00 0.18 -1.14 0.00 0.00 176.83 174.72 1sn6 n LEU 43 N -4.54 0.00 0.03 5.07 7.99 0.32 -2.59 117.00 123.27 1sn6 n LEU 43 Ca -0.08 0.09 -0.04 0.00 -0.01 0.00 0.00 56.01 55.97 1sn6 n LEU 43 Cb 0.31 -0.09 -0.10 0.00 -0.11 0.00 0.00 43.42 43.44 1sn6 n LEU 43 CO 0.16 -0.01 -0.26 0.77 -1.51 0.00 0.00 177.39 176.54 1sn6 h SER 44 N 0.00 0.00 0.98 -1.43 4.64 0.13 -1.95 113.55 115.91 1sn6 h SER 44 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1sn6 h SER 44 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1sn6 h SER 44 CO 0.00 0.78 -0.98 1.05 -0.87 0.00 0.00 176.83 176.81 1sn6 h GLU 45 N 0.00 0.00 0.00 4.77 4.11 -0.59 -2.76 114.58 120.10 1sn6 h GLU 45 Ca -0.18 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.17 1sn6 h GLU 45 Cb 1.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.98 1sn6 h GLU 45 CO 0.07 0.98 -0.62 0.93 0.07 0.00 0.00 179.01 180.43 1sn6 h GLU 46 N 0.00 0.00 0.00 1.06 5.08 -1.59 -2.03 114.58 117.10 1sn6 h GLU 46 Ca -0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1sn6 h GLU 46 Cb 1.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1sn6 h GLU 46 CO 0.13 0.29 -0.56 0.00 -1.00 0.00 0.00 179.01 177.87 1sn6 n GLN 48 N -3.23 0.62 -0.03 0.00 1.13 -1.05 -2.98 117.38 111.85 1sn6 n GLN 48 Ca 0.02 0.07 -0.16 0.00 -1.94 0.00 0.00 57.00 54.98 1sn6 n GLN 48 Cb 0.75 -1.76 -0.08 0.00 0.11 0.00 0.00 30.24 29.27 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 0.61 -0.25 -1.09 4.81 -1.31 -3.02 114.58 114.33 1sn6 h GLU 49 Ca -0.03 -0.50 -0.11 0.00 -0.13 0.00 0.00 59.36 58.58 1sn6 h GLU 49 Cb 1.11 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1sn6 h GLU 49 CO 0.01 1.12 -0.28 -0.24 -0.73 0.00 0.00 179.01 178.89 1sn6 h VAL 50 N 0.26 1.31 -0.69 0.32 3.04 -1.55 -2.97 116.25 115.96 1sn6 h VAL 50 Ca -0.04 -1.46 0.14 0.00 -1.01 0.00 0.00 66.70 64.33 1sn6 h VAL 50 Cb 1.24 1.68 -0.13 0.00 -2.01 0.00 0.00 31.29 32.06 1sn6 h VAL 50 CO 0.12 0.46 -0.21 0.58 -1.01 0.00 0.00 177.57 177.51 1sn6 h VAL 51 N 0.35 0.26 -0.82 1.51 2.07 -1.56 4.04 116.25 122.09 1sn6 h VAL 51 Ca 0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.71 1sn6 h VAL 51 Cb 0.85 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1sn6 h VAL 51 CO 0.07 0.00 0.54 -0.78 0.02 0.00 0.00 177.57 177.42 1sn6 h ASP 52 N -0.04 0.50 1.47 0.57 3.58 -1.44 0.70 116.42 121.77 1sn6 h ASP 52 Ca 0.32 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.73 1sn6 h ASP 52 Cb 0.53 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1sn6 h ASP 52 CO -0.73 0.25 -0.55 0.74 -2.88 0.00 0.00 179.24 176.08 1sn6 h THR 53 N 0.53 0.46 -2.55 2.25 2.02 0.52 -3.39 112.91 112.76 1sn6 h THR 53 Ca 0.41 -1.69 -0.60 0.00 0.77 0.00 0.00 66.41 65.30 1sn6 h THR 53 Cb 0.82 2.14 -0.40 0.00 -1.74 0.00 0.00 68.15 68.97 1sn6 h THR 53 CO -0.16 0.26 -0.81 -1.22 0.37 0.00 0.00 175.52 173.96 1sn6 n TYR 54 N -3.08 1.06 0.00 3.16 4.02 1.12 -4.85 117.16 118.59 1sn6 n TYR 54 Ca 0.01 -3.77 0.00 0.00 -0.01 0.00 0.00 57.90 54.12 1sn6 n TYR 54 Cb 0.67 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 2.15 0.63 0.28 2.72 0.00 0.11 -4.43 105.19 106.65 1sn6 n GLY 55 Ca 0.25 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.86 -2.30 113.55 115.64 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 -2.46 0.00 -0.11 4.97 7.64 -1.26 -2.81 113.62 119.59 1sn6 n SER 57 Ca -0.01 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.93 1sn6 n SER 57 Cb 0.61 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.92 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 -0.91 -0.13 0.04 0.44 3.06 -1.17 0.19 119.36 120.87 1sn6 n ILE 58 Ca 0.00 0.70 -0.08 0.00 -2.50 0.00 0.00 62.75 60.87 1sn6 n ILE 58 Cb 0.00 -1.04 -0.05 0.00 0.54 0.00 0.00 39.64 39.09 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 0.00 9.51 3.38 -1.63 -3.26 115.31 123.12 1sn6 h LEU 59 Ca 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sn6 h LEU 59 Cb 0.46 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1sn6 h LEU 59 CO -0.29 0.38 0.00 -0.24 0.09 0.00 0.00 178.44 178.38 1sn6 n SER 60 N -4.90 0.00 -0.08 -0.43 2.88 0.39 -4.07 113.62 107.41 1sn6 n SER 60 Ca -0.06 -1.03 -0.06 0.00 -1.33 0.00 0.00 58.87 56.39 1sn6 n SER 60 Cb 0.20 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.64 1sn6 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sn6 n ILE 61 N -0.94 1.44 0.00 2.46 0.00 0.50 -4.09 119.36 118.74 1sn6 n ILE 61 Ca 0.19 0.19 0.00 0.00 0.00 0.00 0.00 62.75 63.14 1sn6 n ILE 61 Cb 0.09 -2.38 0.00 0.00 0.00 0.00 0.00 39.64 37.35 1sn6 n ILE 61 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1sn6 n LEU 62 N -4.56 0.00 -0.13 9.51 4.77 -1.23 -2.24 117.00 123.11 1sn6 n LEU 62 Ca -0.09 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 1sn6 n LEU 62 Cb 0.35 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1sn6 n LEU 62 CO 0.14 0.00 -1.22 0.18 -1.33 0.00 0.00 177.39 175.16 1sn6 n LEU 63 N -0.78 1.97 0.05 2.23 4.77 -1.26 -4.75 117.00 119.23 1sn6 n LEU 63 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1sn6 n LEU 63 Cb 0.00 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1sn6 n LEU 63 CO 0.00 0.52 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.84 1sn6 n GLU 64 N -4.26 0.00 0.00 3.23 1.02 -0.95 -4.67 120.64 115.00 1sn6 n GLU 64 Ca -0.49 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.65 1sn6 n GLU 64 Cb 0.84 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 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 -3.23 0.00 -3.70 3.49 1.02 -1.18 -4.01 120.64 113.02 1sn6 n GLU 65 Ca 0.00 0.25 -0.19 0.00 -0.02 0.00 0.00 57.16 57.20 1sn6 n GLU 65 Cb 0.12 -1.64 -0.18 0.00 -0.02 0.00 0.00 31.44 29.72 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 -2.43 -0.06 0.35 2.62 1.01 -1.05 -5.00 120.40 115.84 1sn6 s VAL 66 Ca 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 1sn6 s VAL 66 Cb 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 36.38 36.12 1sn6 s VAL 66 CO 0.00 0.17 0.90 -0.44 0.00 0.00 0.00 175.10 175.73 1sn6 s SER 67 N 1.93 7.10 0.60 3.32 0.01 -1.26 -4.22 113.70 121.19 1sn6 s SER 67 Ca 0.02 1.68 0.29 0.00 1.31 0.00 0.00 55.95 59.25 1sn6 s SER 67 Cb -0.12 -2.53 1.60 0.00 0.21 0.00 0.00 66.02 65.19 1sn6 s SER 67 CO -0.03 -0.18 1.89 1.55 0.41 0.00 0.00 173.24 176.88 1sn6 h PRO 68 N 2.63 0.00 0.00 12.44 0.13 -1.86 -0.17 132.00 145.17 1sn6 h PRO 68 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1sn6 h PRO 68 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1sn6 h PRO 68 CO 0.63 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.28 1sn6 h GLU 69 N 0.00 0.03 -0.83 0.86 5.08 -1.91 -3.15 114.58 114.67 1sn6 h GLU 69 Ca 0.00 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1sn6 h GLU 69 Cb 0.53 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1sn6 h GLU 69 CO 0.00 0.87 0.54 1.25 -1.00 0.00 0.00 179.01 180.67 1sn6 h LEU 70 N -0.79 0.65 -0.02 1.33 5.85 -1.42 -2.53 115.31 118.38 1sn6 h LEU 70 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sn6 h LEU 70 Cb 0.90 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1sn6 h LEU 70 CO 0.01 0.36 -0.08 0.58 -0.34 0.00 0.00 178.44 178.98 1sn6 h VAL 71 N 0.70 0.00 0.00 1.05 2.07 -1.35 1.26 116.25 119.99 1sn6 h VAL 71 Ca 0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.91 1sn6 h VAL 71 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1sn6 h VAL 71 CO -0.16 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.74 1sn6 h SER 73 N 0.00 0.00 -0.64 0.00 0.87 0.16 -3.11 113.55 110.83 1sn6 h SER 73 Ca 0.00 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1sn6 h SER 73 Cb 0.62 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1sn6 h SER 73 CO 0.00 0.89 0.43 0.00 -0.53 0.00 0.00 176.83 177.61 1sn6 h MET 74 N -1.00 0.77 0.00 2.24 -0.00 0.11 0.16 114.93 117.21 1sn6 h MET 74 Ca -0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.57 1sn6 h MET 74 Cb 0.62 -0.17 -0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1sn6 h MET 74 CO -0.05 0.51 -0.03 -0.07 -0.00 0.00 0.00 176.91 177.27 1sn6 h LEU 75 N 0.79 0.00 -0.25 -0.10 3.38 -1.35 -3.46 115.31 114.32 1sn6 h LEU 75 Ca 0.25 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.98 1sn6 h LEU 75 Cb 0.03 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.84 1sn6 h LEU 75 CO -0.07 0.03 -0.38 1.57 0.09 0.00 0.00 178.44 179.68 1sn6 n HIS 76 N -3.60 -1.44 0.06 1.13 -0.00 0.57 -4.91 115.22 107.02 1sn6 n HIS 76 Ca -0.03 0.45 -0.01 0.00 0.46 0.00 0.00 57.72 58.59 1sn6 n HIS 76 Cb 0.13 -3.24 -0.07 0.00 -0.12 0.00 0.00 29.99 26.69 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 -1.21 0.00 -2.57 0.27 5.85 -1.78 -3.31 115.31 112.56 1sn6 h LEU 77 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1sn6 h LEU 77 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1sn6 h LEU 77 CO 0.33 0.67 0.00 0.00 -0.34 0.00 0.00 178.44 179.11 1sn6 n SER 79 N 1.07 2.09 0.20 0.00 2.88 -1.25 -4.76 113.62 113.86 1sn6 n SER 79 Ca 0.00 0.66 0.09 0.00 -1.33 0.00 0.00 58.87 58.29 1sn6 n SER 79 Cb 0.49 -1.19 0.24 0.00 -0.75 0.00 0.00 64.21 63.00 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 10.36 0.00 -0.25 0.46 0.00 -1.95 -3.45 103.07 108.24 1sn6 h GLY 80 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.76 1sn6 h GLY 80 CO 1.01 0.00 -0.20 1.47 0.00 0.00 0.00 176.54 178.82 1sn6 n LEU 81 N -3.19 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 105.85 1sn6 n LEU 81 Ca 0.02 -1.31 -0.42 0.00 -0.00 0.00 0.00 56.01 54.30 1sn6 n LEU 81 Cb 0.55 0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 44.24 1sn6 n LEU 81 CO 0.35 -0.19 0.65 0.68 -0.00 0.00 0.00 177.39 178.88 1sn6 s VAL 82 N -1.98 4.89 -0.20 1.47 -7.23 -1.26 -4.93 120.40 111.15 1sn6 s VAL 82 Ca 0.05 1.96 -0.40 0.00 -1.81 0.00 0.00 61.98 61.77 1sn6 s VAL 82 Cb 0.00 -4.27 -0.17 0.00 0.56 0.00 0.00 36.38 32.50 1sn6 s VAL 82 CO 0.03 0.15 1.58 -2.65 -0.31 0.00 0.00 175.10 173.91 1sn6 n PRO 83 N 4.05 0.92 0.00 4.82 -0.02 -1.26 -5.17 135.00 138.34 1sn6 n PRO 83 Ca 0.05 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 1sn6 n PRO 83 Cb 0.51 -1.97 0.55 0.00 -0.02 0.00 0.00 33.50 32.56 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02