#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 -1.60 -0.09 4.04 5.68 -1.26 -5.02 116.55 118.30 1sn6 n ASP 2 Ca 0.00 -2.47 -0.23 0.00 -0.50 0.00 0.00 54.79 51.59 1sn6 n ASP 2 Cb 0.00 1.41 -0.12 0.00 -1.14 0.00 0.00 41.12 41.27 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1sn6 n VAL 3 N 0.40 1.58 -0.00 2.12 0.31 -1.26 -4.27 118.33 117.20 1sn6 n VAL 3 Ca -0.02 -0.35 -0.17 0.00 -0.01 0.00 0.00 64.34 63.78 1sn6 n VAL 3 Cb 0.74 -1.83 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 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 -0.61 0.62 -1.35 3.52 -1.99 -1.95 -2.72 116.97 112.49 1sn6 h TYR 4 Ca -0.50 -0.32 0.40 0.00 2.00 0.00 0.00 58.73 60.30 1sn6 h TYR 4 Cb 1.65 -0.08 -0.08 0.00 2.00 0.00 0.00 36.73 40.22 1sn6 h TYR 4 CO 0.03 1.13 0.94 0.00 -0.00 0.00 0.00 178.16 180.26 1sn6 h GLU 6 N 0.08 0.00 0.23 0.00 4.39 -1.73 -3.02 114.58 114.53 1sn6 h GLU 6 Ca 0.70 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.40 1sn6 h GLU 6 Cb 2.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 31.13 1sn6 h GLU 6 CO -0.14 0.80 -0.34 0.28 -1.16 0.00 0.00 179.01 178.45 1sn6 h VAL 7 N -1.00 0.29 -0.25 3.13 2.07 -0.69 -2.59 116.25 117.22 1sn6 h VAL 7 Ca -0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1sn6 h VAL 7 Cb 0.93 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1sn6 h VAL 7 CO -0.07 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.32 1sn6 h GLU 9 N -0.20 0.05 0.00 0.00 4.81 -1.33 1.83 114.58 119.75 1sn6 h GLU 9 Ca 0.14 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.17 1sn6 h GLU 9 Cb 0.41 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1sn6 h GLU 9 CO -0.36 0.03 -0.93 0.35 -0.73 0.00 0.00 179.01 177.37 1sn6 h PHE 10 N 0.05 0.00 0.14 0.92 3.57 -0.91 -2.92 116.94 117.79 1sn6 h PHE 10 Ca 0.84 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 62.12 1sn6 h PHE 10 Cb 2.49 0.00 0.01 0.00 2.79 0.00 0.00 35.95 41.25 1sn6 h PHE 10 CO -0.01 0.93 -1.07 -0.07 -2.23 0.00 0.00 178.31 175.86 1sn6 h LEU 11 N 0.00 0.47 -1.55 0.59 3.38 0.30 -2.92 115.31 115.57 1sn6 h LEU 11 Ca -0.01 -0.92 -0.05 0.00 0.09 0.00 0.00 57.88 57.00 1sn6 h LEU 11 Cb 1.66 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 1sn6 h LEU 11 CO 0.12 1.49 -0.23 0.58 0.09 0.00 0.00 178.44 180.49 1sn6 h VAL 12 N -0.31 1.10 0.03 1.22 2.07 -0.10 -1.45 116.25 118.82 1sn6 h VAL 12 Ca -0.21 -0.81 -0.23 0.00 0.82 0.00 0.00 66.70 66.27 1sn6 h VAL 12 Cb 1.72 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1sn6 h VAL 12 CO 0.13 0.23 -1.07 0.07 0.02 0.00 0.00 177.57 176.94 1sn6 h LYS 13 N 0.00 0.07 0.25 1.57 5.09 -1.60 -3.05 116.57 118.90 1sn6 h LYS 13 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 60.65 60.60 1sn6 h LYS 13 Cb 0.43 0.05 0.00 0.00 0.10 0.00 0.00 32.23 32.80 1sn6 h LYS 13 CO 0.03 1.05 -0.12 1.49 -2.09 0.00 0.00 179.45 179.81 1sn6 h GLU 14 N 0.02 -0.32 -1.02 0.07 4.22 -1.27 -2.96 114.58 113.32 1sn6 h GLU 14 Ca -0.05 0.02 0.34 0.00 0.08 0.00 0.00 59.36 59.76 1sn6 h GLU 14 Cb 1.83 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 31.00 1sn6 h GLU 14 CO 0.15 -0.19 0.58 -0.24 -2.18 0.00 0.00 179.01 177.13 1sn6 h VAL 15 N -1.08 0.25 -0.48 0.32 3.04 -1.43 1.54 116.25 118.41 1sn6 h VAL 15 Ca -0.03 -0.09 0.07 0.00 -1.01 0.00 0.00 66.70 65.64 1sn6 h VAL 15 Cb 0.29 -0.04 -0.06 0.00 -2.01 0.00 0.00 31.29 29.47 1sn6 h VAL 15 CO 0.06 0.05 0.14 0.71 -1.01 0.00 0.00 177.57 177.51 1sn6 h THR 16 N 0.26 0.79 -1.11 3.17 1.35 -1.51 0.97 112.91 116.83 1sn6 h THR 16 Ca 0.75 -0.10 0.31 0.00 -0.55 0.00 0.00 66.41 66.83 1sn6 h THR 16 Cb 1.81 0.47 -0.11 0.00 -1.73 0.00 0.00 68.15 68.59 1sn6 h THR 16 CO -0.62 0.05 0.70 0.11 -0.25 0.00 0.00 175.52 175.52 1sn6 h LYS 17 N 0.29 0.31 0.05 4.72 1.79 0.24 2.76 116.57 126.74 1sn6 h LYS 17 Ca 0.24 -0.02 -0.35 0.00 -2.18 0.00 0.00 60.65 58.34 1sn6 h LYS 17 Cb 0.28 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1sn6 h LYS 17 CO -0.27 0.20 -2.05 1.47 -1.08 0.00 0.00 179.45 177.72 1sn6 n LEU 18 N -4.70 1.90 0.12 2.94 -0.00 0.02 -3.87 117.00 113.40 1sn6 n LEU 18 Ca 0.29 0.18 0.12 0.00 -0.00 0.00 0.00 56.01 56.61 1sn6 n LEU 18 Cb 1.03 -0.54 0.46 0.00 -0.00 0.00 0.00 43.42 44.37 1sn6 n LEU 18 CO 0.22 0.70 0.86 -0.38 -0.00 0.00 0.00 177.39 178.79 1sn6 n ILE 19 N -3.24 0.75 -0.23 1.47 5.41 0.31 -2.37 119.36 121.46 1sn6 n ILE 19 Ca -0.30 0.07 -0.12 0.00 1.00 0.00 0.00 62.75 63.40 1sn6 n ILE 19 Cb 1.05 -0.97 -0.09 0.00 -0.71 0.00 0.00 39.64 38.92 1sn6 n ILE 19 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1sn6 h ASP 20 N 0.00 -1.91 0.00 4.38 3.58 0.47 -3.39 116.42 119.54 1sn6 h ASP 20 Ca 0.00 0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.70 1sn6 h ASP 20 Cb 0.48 0.81 -0.02 0.00 1.72 0.00 0.00 39.33 42.32 1sn6 h ASP 20 CO 0.00 -0.35 -0.05 0.59 -2.88 0.00 0.00 179.24 176.55 1sn6 n ASN 21 N -5.34 -0.17 -0.04 2.28 3.02 -1.24 -4.93 115.26 108.83 1sn6 n ASN 21 Ca -0.01 -1.17 -0.15 0.00 -0.03 0.00 0.00 54.58 53.22 1sn6 n ASN 21 Cb 0.32 0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.47 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1sn6 h ASN 22 N 0.00 0.62 -1.76 6.41 -0.26 -1.67 -3.44 115.58 115.49 1sn6 h ASN 22 Ca -0.10 -0.60 -0.44 0.00 -0.56 0.00 0.00 56.30 54.60 1sn6 h ASN 22 Cb 1.07 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1sn6 h ASN 22 CO -0.05 1.11 -0.34 -1.59 -1.06 0.00 0.00 177.43 175.50 1sn6 s LYS 23 N -3.85 3.05 0.09 0.81 0.00 -1.26 -5.11 119.74 113.47 1sn6 s LYS 23 Ca -0.13 -1.07 0.01 0.00 0.00 0.00 0.00 55.97 54.78 1sn6 s LYS 23 Cb 0.06 -2.78 -0.00 0.00 0.00 0.00 0.00 37.83 35.11 1sn6 s LYS 23 CO 0.82 0.02 0.02 0.25 0.00 0.00 0.00 175.35 176.47 1sn6 n THR 24 N -1.64 0.00 1.58 3.79 -2.24 -1.26 -4.99 114.28 109.51 1sn6 n THR 24 Ca 0.01 -0.49 0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1sn6 n THR 24 Cb 0.58 0.16 0.48 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.20 1.41 0.05 -0.78 1.02 -1.26 -3.55 120.64 117.32 1sn6 n GLU 25 Ca -0.02 -0.61 -0.18 0.00 -0.02 0.00 0.00 57.16 56.33 1sn6 n GLU 25 Cb 0.13 -1.36 -0.14 0.00 -0.02 0.00 0.00 31.44 30.04 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 1.26 0.27 0.00 3.49 1.57 -1.99 -2.88 116.57 118.29 1sn6 h LYS 26 Ca 0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1sn6 h LYS 26 Cb 0.27 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1sn6 h LYS 26 CO 0.00 1.13 0.00 0.93 -0.57 0.00 0.00 179.45 180.94 1sn6 h GLU 27 N 0.07 0.00 0.00 3.15 4.39 -1.98 -2.99 114.58 117.22 1sn6 h GLU 27 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1sn6 h GLU 27 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1sn6 h GLU 27 CO 0.15 0.00 0.00 -0.89 -1.16 0.00 0.00 179.01 177.11 1sn6 n ILE 28 N -2.62 0.00 -0.45 3.13 2.08 -1.23 -2.80 119.36 117.47 1sn6 n ILE 28 Ca 0.03 0.34 0.40 0.00 0.56 0.00 0.00 62.75 64.08 1sn6 n ILE 28 Cb 0.35 -1.18 0.75 0.00 -0.75 0.00 0.00 39.64 38.81 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 -0.01 1.39 3.38 -1.67 0.75 115.31 119.21 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 -0.01 -0.06 0.44 0.09 0.00 0.00 178.44 178.90 1sn6 h ASP 30 N 0.03 0.08 -0.49 -0.43 5.19 -1.70 -2.98 116.42 116.11 1sn6 h ASP 30 Ca 0.70 -0.67 0.08 0.00 -0.62 0.00 0.00 57.03 56.53 1sn6 h ASP 30 Cb 2.71 -0.02 -0.10 0.00 0.18 0.00 0.00 39.33 42.10 1sn6 h ASP 30 CO -0.06 0.73 -0.41 0.00 -3.12 0.00 0.00 179.24 176.38 1sn6 h ALA 31 N 0.35 -0.32 -0.93 3.45 0.00 0.67 1.30 119.26 123.78 1sn6 h ALA 31 Ca -0.00 0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.24 1sn6 h ALA 31 Cb 0.73 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 1sn6 h ALA 31 CO 0.01 -0.81 0.63 0.74 0.00 0.00 0.00 179.25 179.82 1sn6 h PHE 32 N -0.26 0.38 0.00 0.00 0.04 -1.41 3.04 116.94 118.73 1sn6 h PHE 32 Ca 0.17 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1sn6 h PHE 32 Cb 0.57 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1sn6 h PHE 32 CO -0.65 0.08 0.00 -3.47 -0.60 0.00 0.00 178.31 173.67 1sn6 n ASP 33 N -4.44 0.00 -0.01 2.17 -0.08 0.44 -1.69 116.55 112.93 1sn6 n ASP 33 Ca 0.20 -0.03 -0.01 0.00 -1.51 0.00 0.00 54.79 53.44 1sn6 n ASP 33 Cb 0.82 -0.24 -0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 -1.24 0.09 -0.02 -0.67 5.02 1.00 -4.31 118.16 118.03 1sn6 n LYS 34 Ca 0.08 0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1sn6 n LYS 34 Cb 0.12 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.13 -0.53 1.97 2.86 -1.26 -1.23 114.93 116.71 1sn6 h MET 35 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1sn6 h MET 35 Cb 0.16 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1sn6 h MET 35 CO 0.00 0.32 0.00 0.00 1.06 0.00 0.00 176.91 178.29 1sn6 h SER 37 N 0.16 0.00 0.55 0.00 0.87 -1.25 -3.34 113.55 110.54 1sn6 h SER 37 Ca 0.00 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1sn6 h SER 37 Cb 0.26 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1sn6 h SER 37 CO 0.00 1.30 -0.04 0.07 -0.53 0.00 0.00 176.83 177.63 1sn6 h LYS 38 N -1.00 0.00 -6.53 2.24 2.10 -1.63 -3.44 116.57 108.31 1sn6 h LYS 38 Ca -0.25 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.80 1sn6 h LYS 38 Cb 1.12 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.56 1sn6 h LYS 38 CO -0.15 0.04 0.20 -0.11 -2.00 0.00 0.00 179.45 177.43 1sn6 n LEU 39 N -3.25 2.15 -4.66 7.07 7.94 -1.25 -4.81 117.00 120.19 1sn6 n LEU 39 Ca -0.01 1.17 -0.46 0.00 -1.11 0.00 0.00 56.01 55.61 1sn6 n LEU 39 Cb 0.23 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 42.82 1sn6 n LEU 39 CO 0.26 -1.25 1.04 -2.65 -1.11 0.00 0.00 177.39 173.68 1sn6 n PRO 40 N 0.65 1.95 -0.30 1.96 -0.02 -1.26 -4.45 135.00 133.54 1sn6 n PRO 40 Ca 0.09 0.70 0.22 0.00 -2.02 0.00 0.00 63.50 62.48 1sn6 n PRO 40 Cb 0.33 -2.38 0.41 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.44 -0.06 0.14 -0.52 4.81 -1.26 0.60 118.16 124.31 1sn6 n LYS 41 Ca 0.14 1.31 -0.14 0.00 -0.87 0.00 0.00 58.31 58.75 1sn6 n LYS 41 Cb 0.29 -2.22 -0.08 0.00 0.02 0.00 0.00 35.03 33.05 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 -1.20 0.54 3.14 0.02 -2.00 0.51 113.55 114.55 1sn6 h SER 42 Ca 0.67 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.74 1sn6 h SER 42 Cb 1.63 0.43 0.00 0.00 0.14 0.00 0.00 62.40 64.60 1sn6 h SER 42 CO -0.77 -0.48 0.00 0.18 -1.14 0.00 0.00 176.83 174.62 1sn6 n LEU 43 N -4.84 0.00 0.13 5.07 7.99 0.26 -2.60 117.00 123.01 1sn6 n LEU 43 Ca -0.08 0.27 0.05 0.00 -0.01 0.00 0.00 56.01 56.24 1sn6 n LEU 43 Cb 0.34 -0.27 0.03 0.00 -0.11 0.00 0.00 43.42 43.41 1sn6 n LEU 43 CO 0.16 -0.00 0.35 0.77 -1.51 0.00 0.00 177.39 177.16 1sn6 h SER 44 N 0.00 0.00 0.73 -1.43 4.64 0.13 0.25 113.55 117.87 1sn6 h SER 44 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1sn6 h SER 44 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1sn6 h SER 44 CO 0.00 0.38 -1.31 -0.33 -0.87 0.00 0.00 176.83 174.70 1sn6 h GLU 45 N 0.00 0.08 0.04 4.77 5.08 -0.68 -2.80 114.58 121.06 1sn6 h GLU 45 Ca -0.03 -0.13 -0.25 0.00 -1.00 0.00 0.00 59.36 57.95 1sn6 h GLU 45 Cb 1.32 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1sn6 h GLU 45 CO 0.04 0.92 -1.26 0.93 -1.00 0.00 0.00 179.01 178.65 1sn6 h GLU 46 N 0.02 0.09 0.00 2.33 5.08 -1.47 -2.09 114.58 118.53 1sn6 h GLU 46 Ca -0.14 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 1sn6 h GLU 46 Cb 1.90 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.18 1sn6 h GLU 46 CO 0.13 0.97 -0.64 0.00 -1.00 0.00 0.00 179.01 178.47 1sn6 h GLN 48 N 0.00 0.00 -0.07 0.00 1.08 -1.56 -3.09 115.11 111.48 1sn6 h GLN 48 Ca -0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1sn6 h GLN 48 Cb 1.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1sn6 h GLN 48 CO 0.08 0.00 -0.03 1.49 -0.95 0.00 0.00 178.83 179.42 1sn6 h GLU 49 N 0.00 0.14 -0.59 1.46 4.81 -1.05 -2.80 114.58 116.55 1sn6 h GLU 49 Ca 0.00 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1sn6 h GLU 49 Cb 0.89 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1sn6 h GLU 49 CO 0.00 0.50 -0.03 0.28 -0.73 0.00 0.00 179.01 179.03 1sn6 h VAL 50 N -0.23 1.27 -0.68 0.32 2.07 -1.59 -2.78 116.25 114.62 1sn6 h VAL 50 Ca 0.02 -1.19 0.14 0.00 0.82 0.00 0.00 66.70 66.48 1sn6 h VAL 50 Cb 0.46 0.86 -0.13 0.00 -1.52 0.00 0.00 31.29 30.96 1sn6 h VAL 50 CO 0.01 0.43 -0.13 0.58 0.02 0.00 0.00 177.57 178.47 1sn6 h VAL 51 N 0.95 0.34 -0.78 2.57 2.07 -1.45 3.49 116.25 123.43 1sn6 h VAL 51 Ca 0.16 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.80 1sn6 h VAL 51 Cb 0.60 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1sn6 h VAL 51 CO 0.04 0.00 0.52 0.44 0.02 0.00 0.00 177.57 178.59 1sn6 h ASP 52 N 0.02 0.52 1.61 0.57 3.32 -1.23 0.77 116.42 122.00 1sn6 h ASP 52 Ca 0.34 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 1sn6 h ASP 52 Cb 0.53 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1sn6 h ASP 52 CO -0.68 0.28 -0.40 0.74 -1.72 0.00 0.00 179.24 177.46 1sn6 h THR 53 N 0.56 0.34 -2.09 0.35 2.02 0.45 -3.37 112.91 111.17 1sn6 h THR 53 Ca 0.38 -1.50 -0.58 0.00 0.77 0.00 0.00 66.41 65.48 1sn6 h THR 53 Cb 0.69 2.09 -0.40 0.00 -1.74 0.00 0.00 68.15 68.79 1sn6 h THR 53 CO -0.14 0.19 -0.87 -1.22 0.37 0.00 0.00 175.52 173.85 1sn6 n TYR 54 N -3.08 1.51 0.08 3.16 4.02 0.97 -4.78 117.16 119.03 1sn6 n TYR 54 Ca 0.02 -3.84 0.00 0.00 -0.01 0.00 0.00 57.90 54.07 1sn6 n TYR 54 Cb 0.63 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 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 1.15 -0.25 0.11 2.72 0.00 0.11 -4.52 105.19 104.51 1sn6 n GLY 55 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.83 -3.31 113.55 110.88 1sn6 h SER 56 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 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 0.04 0.00 -1.20 -0.53 0.00 0.00 176.83 175.14 1sn6 n SER 57 N -2.37 0.00 -0.14 6.23 7.64 -1.26 -2.67 113.62 121.06 1sn6 n SER 57 Ca 0.04 0.17 0.07 0.00 1.01 0.00 0.00 58.87 60.16 1sn6 n SER 57 Cb 0.46 -0.40 0.14 0.00 -1.01 0.00 0.00 64.21 63.40 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 -2.05 -0.17 -0.01 0.44 3.06 -1.26 0.27 119.36 119.64 1sn6 n ILE 58 Ca 0.00 0.88 -0.17 0.00 -2.50 0.00 0.00 62.75 60.96 1sn6 n ILE 58 Cb 0.00 -1.31 -0.13 0.00 0.54 0.00 0.00 39.64 38.74 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 0.26 -0.13 9.51 3.38 -1.76 -3.27 115.31 123.31 1sn6 h LEU 59 Ca 0.26 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1sn6 h LEU 59 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sn6 h LEU 59 CO -0.37 1.13 0.00 -0.24 0.09 0.00 0.00 178.44 179.05 1sn6 n SER 60 N -4.39 0.20 -0.05 -0.43 2.88 0.77 -4.19 113.62 108.41 1sn6 n SER 60 Ca -0.11 -1.23 -0.05 0.00 -1.33 0.00 0.00 58.87 56.16 1sn6 n SER 60 Cb 0.61 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.77 0.95 0.00 2.46 0.00 0.63 -4.22 119.36 118.42 1sn6 n ILE 61 Ca 0.20 0.29 0.00 0.00 0.00 0.00 0.00 62.75 63.24 1sn6 n ILE 61 Cb 0.12 -2.06 0.00 0.00 0.00 0.00 0.00 39.64 37.70 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 -3.77 0.00 -0.09 9.51 4.32 -1.23 -1.96 117.00 123.77 1sn6 n LEU 62 Ca -0.07 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.77 1sn6 n LEU 62 Cb 0.26 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.00 1sn6 n LEU 62 CO 0.11 0.00 -0.61 0.18 -1.22 0.00 0.00 177.39 175.85 1sn6 n LEU 63 N -0.72 1.86 0.07 2.23 4.77 -1.26 -4.57 117.00 119.38 1sn6 n LEU 63 Ca 0.00 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1sn6 n LEU 63 Cb 0.00 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 1sn6 n LEU 63 CO 0.00 -0.04 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.32 1sn6 n GLU 64 N -4.48 0.00 0.23 3.23 -0.58 -0.83 -4.77 120.64 113.45 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 0.53 -0.23 0.17 0.00 -0.57 0.00 0.00 31.44 31.35 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1sn6 h GLU 65 N 0.00 0.00 -3.38 3.49 4.39 -1.77 -3.38 114.58 113.93 1sn6 h GLU 65 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1sn6 h GLU 65 Cb 0.16 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.65 1sn6 h GLU 65 CO 0.00 0.00 -0.25 0.54 -1.16 0.00 0.00 179.01 178.14 1sn6 s VAL 66 N -3.49 0.09 0.16 3.13 0.11 -1.19 -5.05 120.40 114.16 1sn6 s VAL 66 Ca -0.01 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1sn6 s VAL 66 Cb 0.02 -1.02 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 1sn6 s VAL 66 CO 0.06 -0.41 0.36 -0.55 -3.33 0.00 0.00 175.10 171.23 1sn6 s SER 67 N -2.25 6.42 0.64 3.54 0.15 -1.26 -4.32 113.70 116.62 1sn6 s SER 67 Ca -0.03 0.45 0.36 0.00 0.70 0.00 0.00 55.95 57.43 1sn6 s SER 67 Cb 0.00 -2.03 1.99 0.00 -1.71 0.00 0.00 66.02 64.27 1sn6 s SER 67 CO -0.05 0.02 2.19 1.55 1.20 0.00 0.00 173.24 178.15 1sn6 h PRO 68 N 2.46 0.00 0.00 5.44 0.13 -1.87 -2.26 132.00 135.90 1sn6 h PRO 68 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1sn6 h PRO 68 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1sn6 h PRO 68 CO 0.71 0.00 -0.29 1.49 -0.23 0.00 0.00 178.00 179.68 1sn6 h GLU 69 N 0.00 0.00 -0.85 0.86 4.81 -1.91 -3.16 114.58 114.33 1sn6 h GLU 69 Ca 0.02 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.45 1sn6 h GLU 69 Cb 0.28 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1sn6 h GLU 69 CO -0.00 0.83 0.57 1.25 -0.73 0.00 0.00 179.01 180.93 1sn6 h LEU 70 N -1.00 0.33 0.42 1.64 5.85 -1.88 -1.74 115.31 118.92 1sn6 h LEU 70 Ca -0.07 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1sn6 h LEU 70 Cb 0.92 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1sn6 h LEU 70 CO -0.05 0.14 -0.30 0.58 -0.34 0.00 0.00 178.44 178.47 1sn6 h VAL 71 N 0.33 0.00 0.00 1.05 2.07 -1.48 0.40 116.25 118.62 1sn6 h VAL 71 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 1sn6 h VAL 71 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1sn6 h VAL 71 CO -0.13 0.00 0.67 0.00 0.02 0.00 0.00 177.57 178.13 1sn6 h SER 73 N 0.00 0.00 -0.97 0.00 0.02 -0.70 -3.18 113.55 108.72 1sn6 h SER 73 Ca 0.00 -0.11 0.21 0.00 -0.84 0.00 0.00 61.79 61.05 1sn6 h SER 73 Cb 1.35 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.78 1sn6 h SER 73 CO 0.00 0.76 0.56 0.24 -1.14 0.00 0.00 176.83 177.26 1sn6 h MET 74 N -1.00 0.63 0.00 3.45 2.86 0.32 1.52 114.93 122.71 1sn6 h MET 74 Ca -0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1sn6 h MET 74 Cb 0.46 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1sn6 h MET 74 CO -0.02 0.42 0.00 -0.07 1.06 0.00 0.00 176.91 178.30 1sn6 h LEU 75 N 0.65 0.00 -1.26 1.22 3.38 -0.57 -3.45 115.31 115.28 1sn6 h LEU 75 Ca 0.59 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.94 1sn6 h LEU 75 Cb 1.00 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.39 1sn6 h LEU 75 CO -0.43 0.00 -0.90 0.00 0.09 0.00 0.00 178.44 177.20 1sn6 n HIS 76 N -2.53 -1.25 0.34 1.13 1.44 0.52 -4.76 115.22 110.11 1sn6 n HIS 76 Ca -0.00 0.70 0.13 0.00 -2.01 0.00 0.00 57.72 56.53 1sn6 n HIS 76 Cb 0.15 -2.07 0.26 0.00 0.12 0.00 0.00 29.99 28.45 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 1sn6 h LEU 77 N -1.02 0.00 0.00 2.39 8.10 -1.81 -3.38 115.31 119.59 1sn6 h LEU 77 Ca -0.60 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.39 1sn6 h LEU 77 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.61 1sn6 h LEU 77 CO 0.87 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 175.20 1sn6 n SER 79 N -0.37 -2.29 0.04 0.00 7.64 -1.26 -4.95 113.62 112.43 1sn6 n SER 79 Ca 0.00 -0.62 -0.15 0.00 1.01 0.00 0.00 58.87 59.11 1sn6 n SER 79 Cb 0.00 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 62.58 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 -1.92 0.21 -0.27 0.23 0.00 -1.86 -3.48 103.07 95.99 1sn6 h GLY 80 Ca -0.19 -0.53 -0.23 0.00 0.00 0.00 0.00 47.33 46.38 1sn6 h GLY 80 CO 0.12 0.46 -0.18 1.47 0.00 0.00 0.00 176.54 178.41 1sn6 n LEU 81 N -3.36 0.00 -4.71 3.11 -0.00 -1.26 -5.04 117.00 105.74 1sn6 n LEU 81 Ca -0.17 -1.23 -0.41 0.00 -0.00 0.00 0.00 56.01 54.20 1sn6 n LEU 81 Cb 1.04 0.31 -0.04 0.00 -0.00 0.00 0.00 43.42 44.73 1sn6 n LEU 81 CO 0.48 -0.18 0.57 0.68 -0.00 0.00 0.00 177.39 178.94 1sn6 s VAL 82 N -1.98 4.94 0.10 1.47 -7.23 -1.26 -4.96 120.40 111.48 1sn6 s VAL 82 Ca 0.05 1.80 -0.36 0.00 -1.81 0.00 0.00 61.98 61.66 1sn6 s VAL 82 Cb 0.00 -4.20 -0.17 0.00 0.56 0.00 0.00 36.38 32.57 1sn6 s VAL 82 CO 0.04 0.18 1.31 -2.65 -0.31 0.00 0.00 175.10 173.67 1sn6 n PRO 83 N 3.96 1.14 0.00 4.82 -0.02 -1.26 -5.16 135.00 138.48 1sn6 n PRO 83 Ca 0.03 0.41 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1sn6 n PRO 83 Cb 0.51 -2.03 0.64 0.00 -0.02 0.00 0.00 33.50 32.60 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02