#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 -1.18 0.14 4.04 8.00 -1.26 -4.72 116.55 121.57 1sn6 n ASP 2 Ca 0.00 -2.19 0.12 0.00 0.71 0.00 0.00 54.79 53.43 1sn6 n ASP 2 Cb 0.00 0.57 0.17 0.00 -0.02 0.00 0.00 41.12 41.84 1sn6 n ASP 2 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1sn6 h VAL 3 N 4.21 0.00 -0.95 2.53 3.04 -1.97 -3.28 116.25 119.83 1sn6 h VAL 3 Ca -0.43 -0.81 0.04 0.00 -1.01 0.00 0.00 66.70 64.49 1sn6 h VAL 3 Cb 1.31 1.62 -0.06 0.00 -2.01 0.00 0.00 31.29 32.15 1sn6 h VAL 3 CO -0.16 0.00 0.62 1.88 -1.01 0.00 0.00 177.57 178.90 1sn6 h TYR 4 N 0.00 1.15 -1.00 3.17 0.05 -1.91 -1.32 116.97 117.12 1sn6 h TYR 4 Ca 0.00 0.03 0.36 0.00 0.05 0.00 0.00 58.73 59.16 1sn6 h TYR 4 Cb 0.91 -0.38 -0.16 0.00 1.01 0.00 0.00 36.73 38.10 1sn6 h TYR 4 CO 0.00 0.65 0.54 0.00 -1.05 0.00 0.00 178.16 178.30 1sn6 h GLU 6 N 0.19 0.18 0.25 0.00 5.08 -1.49 -2.92 114.58 115.87 1sn6 h GLU 6 Ca 0.77 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.87 1sn6 h GLU 6 Cb 1.87 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1sn6 h GLU 6 CO -0.67 1.05 -0.12 0.28 -1.00 0.00 0.00 179.01 178.54 1sn6 h VAL 7 N -0.57 0.00 -1.15 3.13 2.07 -0.32 -2.99 116.25 116.41 1sn6 h VAL 7 Ca -0.06 -0.24 0.36 0.00 0.82 0.00 0.00 66.70 67.59 1sn6 h VAL 7 Cb 1.21 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.85 1sn6 h VAL 7 CO 0.07 0.00 0.72 0.00 0.02 0.00 0.00 177.57 178.38 1sn6 h GLU 9 N 0.22 1.10 0.00 0.00 4.22 -1.52 -1.72 114.58 116.88 1sn6 h GLU 9 Ca 0.74 -0.20 -0.06 0.00 0.08 0.00 0.00 59.36 59.92 1sn6 h GLU 9 Cb 2.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 1sn6 h GLU 9 CO -0.45 0.90 -0.27 0.35 -2.18 0.00 0.00 179.01 177.36 1sn6 h PHE 10 N 1.07 0.00 0.08 0.92 3.57 0.76 -3.01 116.94 120.33 1sn6 h PHE 10 Ca 0.24 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 1sn6 h PHE 10 Cb 0.23 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.98 1sn6 h PHE 10 CO 0.02 0.27 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.77 1sn6 h LEU 11 N 0.00 0.27 -1.84 0.59 3.38 -0.67 -2.96 115.31 114.09 1sn6 h LEU 11 Ca -0.00 -0.96 -0.03 0.00 0.09 0.00 0.00 57.88 56.98 1sn6 h LEU 11 Cb 0.80 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1sn6 h LEU 11 CO 0.04 1.25 -0.14 0.58 0.09 0.00 0.00 178.44 180.26 1sn6 h VAL 12 N -0.64 0.80 0.05 1.22 2.07 -1.38 -1.42 116.25 116.95 1sn6 h VAL 12 Ca -0.10 -0.55 -0.24 0.00 0.82 0.00 0.00 66.70 66.64 1sn6 h VAL 12 Cb 1.38 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1sn6 h VAL 12 CO 0.08 0.14 -1.10 0.07 0.02 0.00 0.00 177.57 176.78 1sn6 h LYS 13 N 0.00 0.11 0.32 1.57 5.09 -1.61 -3.03 116.57 119.02 1sn6 h LYS 13 Ca -0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 60.65 60.54 1sn6 h LYS 13 Cb 0.31 0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.71 1sn6 h LYS 13 CO 0.02 1.09 -0.15 1.49 -2.09 0.00 0.00 179.45 179.80 1sn6 h GLU 14 N 0.03 -0.41 -1.17 0.07 4.57 -1.25 -2.94 114.58 113.49 1sn6 h GLU 14 Ca -0.06 0.03 0.38 0.00 -1.18 0.00 0.00 59.36 58.53 1sn6 h GLU 14 Cb 1.85 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 30.40 1sn6 h GLU 14 CO 0.16 -0.28 0.72 -0.24 -1.18 0.00 0.00 179.01 178.20 1sn6 h VAL 15 N -1.05 0.22 -0.66 0.32 3.04 -1.43 2.23 116.25 118.93 1sn6 h VAL 15 Ca -0.04 -0.06 0.06 0.00 -1.01 0.00 0.00 66.70 65.64 1sn6 h VAL 15 Cb 0.33 0.02 -0.05 0.00 -2.01 0.00 0.00 31.29 29.57 1sn6 h VAL 15 CO 0.07 0.03 0.37 0.71 -1.01 0.00 0.00 177.57 177.74 1sn6 h THR 16 N 0.19 0.97 -0.93 3.17 1.35 -1.47 0.84 112.91 117.02 1sn6 h THR 16 Ca 0.76 -0.23 0.21 0.00 -0.55 0.00 0.00 66.41 66.60 1sn6 h THR 16 Cb 2.14 0.23 -0.12 0.00 -1.73 0.00 0.00 68.15 68.68 1sn6 h THR 16 CO -0.48 0.12 0.49 0.11 -0.25 0.00 0.00 175.52 175.51 1sn6 h LYS 17 N 0.68 0.52 0.16 4.72 1.79 0.39 2.63 116.57 127.47 1sn6 h LYS 17 Ca 0.29 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 58.39 1sn6 h LYS 17 Cb 0.18 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1sn6 h LYS 17 CO -0.18 0.35 -1.73 1.37 -1.08 0.00 0.00 179.45 178.18 1sn6 h LEU 18 N 0.54 0.54 -0.48 2.94 8.10 -1.04 -3.27 115.31 122.64 1sn6 h LEU 18 Ca 0.57 -0.93 0.00 0.00 0.11 0.00 0.00 57.88 57.63 1sn6 h LEU 18 Cb 1.01 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 1sn6 h LEU 18 CO -0.46 1.77 0.00 -0.38 -4.11 0.00 0.00 178.44 175.26 1sn6 n ILE 19 N -3.64 0.87 -0.34 0.15 5.41 0.28 -2.65 119.36 119.44 1sn6 n ILE 19 Ca -0.26 0.23 0.10 0.00 1.00 0.00 0.00 62.75 63.82 1sn6 n ILE 19 Cb 1.04 -1.10 0.21 0.00 -0.71 0.00 0.00 39.64 39.07 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 -0.64 0.00 4.38 3.58 0.45 -3.31 116.42 120.88 1sn6 h ASP 20 Ca 0.00 0.28 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 1sn6 h ASP 20 Cb 0.33 0.52 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 1sn6 h ASP 20 CO 0.00 -0.32 -0.22 0.59 -2.88 0.00 0.00 179.24 176.40 1sn6 n ASN 21 N -5.53 -0.23 -0.13 2.28 3.02 -1.23 -4.94 115.26 108.50 1sn6 n ASN 21 Ca 0.19 -1.50 -0.25 0.00 -0.03 0.00 0.00 54.58 52.99 1sn6 n ASN 21 Cb 0.62 0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.75 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sn6 n ASN 22 N 0.04 1.90 -4.56 6.41 5.03 -1.08 -4.74 115.26 118.25 1sn6 n ASN 22 Ca -0.08 0.33 -0.31 0.00 0.87 0.00 0.00 54.58 55.39 1sn6 n ASN 22 Cb 0.63 -0.78 -0.04 0.00 -1.02 0.00 0.00 39.78 38.57 1sn6 n ASN 22 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1sn6 s LYS 23 N -2.57 2.73 0.55 3.52 2.36 -1.26 -4.95 119.74 120.13 1sn6 s LYS 23 Ca -0.36 -0.28 -0.03 0.00 -2.55 0.00 0.00 55.97 52.75 1sn6 s LYS 23 Cb 0.12 -4.98 0.12 0.00 -1.05 0.00 0.00 37.83 32.03 1sn6 s LYS 23 CO 0.46 -3.08 0.76 0.25 1.55 0.00 0.00 175.35 175.29 1sn6 n THR 24 N 7.60 0.00 -0.54 3.43 -2.24 -1.26 -4.99 114.28 116.27 1sn6 n THR 24 Ca 0.35 -1.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.22 1sn6 n THR 24 Cb 0.48 -1.18 0.32 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.46 3.38 -0.05 -0.78 1.02 -1.26 -4.35 120.64 116.14 1sn6 n GLU 25 Ca 0.12 -2.75 -0.20 0.00 -0.02 0.00 0.00 57.16 54.30 1sn6 n GLU 25 Cb 0.41 -1.75 -0.13 0.00 -0.02 0.00 0.00 31.44 29.96 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 3.78 0.11 0.00 3.49 1.79 -1.98 -2.95 116.57 120.81 1sn6 h LYS 26 Ca 0.00 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 1sn6 h LYS 26 Cb 1.27 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1sn6 h LYS 26 CO 0.15 1.09 0.00 0.39 -1.08 0.00 0.00 179.45 180.01 1sn6 n GLU 27 N -4.21 0.04 0.00 3.15 -0.58 -1.26 -2.86 120.64 114.91 1sn6 n GLU 27 Ca -0.25 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 1sn6 n GLU 27 Cb 0.75 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 -1.63 0.00 -0.38 -3.67 2.08 -1.24 -2.71 119.36 111.82 1sn6 n ILE 28 Ca 0.04 0.37 0.38 0.00 0.56 0.00 0.00 62.75 64.10 1sn6 n ILE 28 Cb 0.23 -1.22 0.73 0.00 -0.75 0.00 0.00 39.64 38.63 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 -0.05 1.39 3.38 -1.64 1.29 115.31 119.68 1sn6 h LEU 29 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1sn6 h LEU 29 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1sn6 h LEU 29 CO 0.00 0.00 -0.35 0.44 0.09 0.00 0.00 178.44 178.62 1sn6 h ASP 30 N 0.00 0.39 -0.25 -0.43 3.32 -1.69 -2.84 116.42 114.92 1sn6 h ASP 30 Ca 0.63 -0.68 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1sn6 h ASP 30 Cb 2.66 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 42.02 1sn6 h ASP 30 CO -0.01 1.01 -0.27 0.00 -1.72 0.00 0.00 179.24 178.25 1sn6 h ALA 31 N 0.39 -0.18 -0.38 3.45 0.00 0.19 0.52 119.26 123.25 1sn6 h ALA 31 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1sn6 h ALA 31 Cb 1.02 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1sn6 h ALA 31 CO 0.07 -0.70 0.26 0.74 0.00 0.00 0.00 179.25 179.62 1sn6 h PHE 32 N -0.28 0.19 0.00 0.00 0.04 -1.43 1.40 116.94 116.86 1sn6 h PHE 32 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1sn6 h PHE 32 Cb 0.49 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1sn6 h PHE 32 CO -0.42 0.10 0.00 -3.47 -0.60 0.00 0.00 178.31 173.91 1sn6 n ASP 33 N -4.47 0.00 0.02 2.17 2.03 0.16 -1.86 116.55 114.61 1sn6 n ASP 33 Ca 0.05 -0.96 -0.02 0.00 0.52 0.00 0.00 54.79 54.38 1sn6 n ASP 33 Cb 0.32 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 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 -0.96 0.10 -0.03 -0.67 5.02 0.43 -4.41 118.16 117.64 1sn6 n LYS 34 Ca 0.20 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.39 1sn6 n LYS 34 Cb 0.09 -0.68 -0.11 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.19 0.10 -0.11 1.97 2.86 -0.23 -2.73 114.93 116.60 1sn6 h MET 35 Ca -0.02 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1sn6 h MET 35 Cb 0.33 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1sn6 h MET 35 CO -0.01 0.79 0.00 0.00 1.06 0.00 0.00 176.91 178.75 1sn6 h SER 37 N 0.06 0.00 0.58 0.00 0.87 -1.47 -3.33 113.55 110.25 1sn6 h SER 37 Ca 0.00 -0.73 -0.04 0.00 -1.23 0.00 0.00 61.79 59.79 1sn6 h SER 37 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1sn6 h SER 37 CO 0.00 1.20 -0.21 0.07 -0.53 0.00 0.00 176.83 177.36 1sn6 h LYS 38 N -1.00 0.00 -6.19 2.24 2.10 -1.65 -3.45 116.57 108.62 1sn6 h LYS 38 Ca -0.16 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 57.87 1sn6 h LYS 38 Cb 1.10 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.56 1sn6 h LYS 38 CO -0.09 0.21 -0.45 -0.11 -2.00 0.00 0.00 179.45 177.01 1sn6 n LEU 39 N -3.61 -0.60 -4.63 7.07 7.94 -1.25 -4.75 117.00 117.17 1sn6 n LEU 39 Ca -0.01 1.01 -0.48 0.00 -1.11 0.00 0.00 56.01 55.42 1sn6 n LEU 39 Cb 0.34 -1.05 -0.04 0.00 0.53 0.00 0.00 43.42 43.20 1sn6 n LEU 39 CO 0.33 -2.89 1.00 -2.65 -1.11 0.00 0.00 177.39 172.06 1sn6 n PRO 40 N 0.88 1.71 -0.30 1.96 -0.02 -1.26 -4.45 135.00 133.50 1sn6 n PRO 40 Ca 0.13 0.61 0.17 0.00 -2.02 0.00 0.00 63.50 62.40 1sn6 n PRO 40 Cb 0.34 -2.28 0.33 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.56 -0.07 0.26 -0.52 4.81 -1.26 0.73 118.16 124.68 1sn6 n LYS 41 Ca 0.16 1.31 -0.16 0.00 -0.87 0.00 0.00 58.31 58.75 1sn6 n LYS 41 Cb 0.26 -2.15 -0.08 0.00 0.02 0.00 0.00 35.03 33.08 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 -1.16 0.17 3.14 0.02 -2.01 -0.71 113.55 113.00 1sn6 h SER 42 Ca 0.60 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 1sn6 h SER 42 Cb 1.35 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.27 1sn6 h SER 42 CO -0.80 -0.57 0.00 0.18 -1.14 0.00 0.00 176.83 174.49 1sn6 n LEU 43 N -5.02 0.00 0.06 5.07 4.77 0.09 -2.60 117.00 119.37 1sn6 n LEU 43 Ca -0.10 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1sn6 n LEU 43 Cb 0.40 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1sn6 n LEU 43 CO 0.23 -0.00 -0.10 0.77 -1.33 0.00 0.00 177.39 176.95 1sn6 h SER 44 N 0.00 0.00 0.79 -1.43 4.64 0.11 -1.75 113.55 115.91 1sn6 h SER 44 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1sn6 h SER 44 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1sn6 h SER 44 CO 0.00 0.57 -1.19 -0.33 -0.87 0.00 0.00 176.83 175.01 1sn6 h GLU 45 N 0.00 0.11 0.11 4.77 5.08 -0.90 -2.83 114.58 120.93 1sn6 h GLU 45 Ca -0.12 -0.18 -0.27 0.00 -1.00 0.00 0.00 59.36 57.79 1sn6 h GLU 45 Cb 1.54 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1sn6 h GLU 45 CO 0.05 1.03 -1.21 0.93 -1.00 0.00 0.00 179.01 178.81 1sn6 h GLU 46 N 0.03 0.25 0.00 2.33 4.39 -1.58 -1.92 114.58 118.08 1sn6 h GLU 46 Ca -0.10 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 59.08 1sn6 h GLU 46 Cb 1.88 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.67 1sn6 h GLU 46 CO 0.15 1.20 -0.47 0.00 -1.16 0.00 0.00 179.01 178.73 1sn6 n GLN 48 N -3.69 0.28 0.04 0.00 1.13 -1.07 -3.11 117.38 110.96 1sn6 n GLN 48 Ca -0.01 0.11 -0.09 0.00 -1.94 0.00 0.00 57.00 55.08 1sn6 n GLN 48 Cb 0.54 -1.71 0.05 0.00 0.11 0.00 0.00 30.24 29.23 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 0.42 0.11 -1.09 4.57 -0.65 -3.09 114.58 114.86 1sn6 h GLU 49 Ca 0.00 -0.31 -0.16 0.00 -1.18 0.00 0.00 59.36 57.70 1sn6 h GLU 49 Cb 0.74 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.40 1sn6 h GLU 49 CO 0.00 0.94 -0.74 0.28 -1.18 0.00 0.00 179.01 178.30 1sn6 h VAL 50 N 0.31 1.50 -0.97 0.32 2.07 -1.52 -3.03 116.25 114.93 1sn6 h VAL 50 Ca -0.02 -2.49 0.21 0.00 0.82 0.00 0.00 66.70 65.23 1sn6 h VAL 50 Cb 1.21 3.17 -0.12 0.00 -1.52 0.00 0.00 31.29 34.04 1sn6 h VAL 50 CO 0.11 0.69 0.55 -0.37 0.02 0.00 0.00 177.57 178.58 1sn6 h VAL 51 N -0.49 0.61 -0.96 2.57 -1.51 -1.62 3.85 116.25 118.69 1sn6 h VAL 51 Ca -0.14 -0.21 0.06 0.00 -1.23 0.00 0.00 66.70 65.18 1sn6 h VAL 51 Cb 1.54 -0.07 -0.06 0.00 -2.13 0.00 0.00 31.29 30.56 1sn6 h VAL 51 CO 0.11 0.11 0.62 -0.78 -1.23 0.00 0.00 177.57 176.40 1sn6 h ASP 52 N 0.62 1.00 1.75 4.19 1.82 -1.59 0.25 116.42 124.45 1sn6 h ASP 52 Ca 0.59 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 57.20 1sn6 h ASP 52 Cb 1.02 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 1sn6 h ASP 52 CO -0.44 0.64 -0.19 0.74 -1.61 0.00 0.00 179.24 178.38 1sn6 h THR 53 N 1.14 0.33 -2.68 2.25 2.02 0.44 -3.38 112.91 113.04 1sn6 h THR 53 Ca 0.41 -1.43 -0.60 0.00 0.77 0.00 0.00 66.41 65.56 1sn6 h THR 53 Cb 0.14 2.13 -0.40 0.00 -1.74 0.00 0.00 68.15 68.28 1sn6 h THR 53 CO -0.16 0.19 -0.80 -0.31 0.37 0.00 0.00 175.52 174.80 1sn6 s TYR 54 N -3.15 2.16 0.00 3.16 1.51 1.08 -4.88 117.35 117.24 1sn6 s TYR 54 Ca 0.05 -2.76 0.00 0.00 -1.01 0.00 0.00 57.07 53.36 1sn6 s TYR 54 Cb 0.06 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1sn6 s TYR 54 CO 0.69 -0.71 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1sn6 n GLY 55 N 2.49 0.48 0.29 0.71 0.00 0.22 -4.37 105.19 105.02 1sn6 n GLY 55 Ca 0.25 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.87 -2.14 113.55 112.03 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 -2.55 0.00 -0.12 6.23 7.64 -1.26 -2.92 113.62 120.64 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 0.58 0.00 0.11 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 -0.88 -0.15 0.02 0.44 3.06 -1.18 0.24 119.36 120.91 1sn6 n ILE 58 Ca 0.00 0.76 -0.12 0.00 -2.50 0.00 0.00 62.75 60.89 1sn6 n ILE 58 Cb 0.00 -1.12 -0.09 0.00 0.54 0.00 0.00 39.64 38.97 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 -0.10 -0.39 9.51 3.38 -1.60 -3.24 115.31 122.87 1sn6 h LEU 59 Ca 0.22 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1sn6 h LEU 59 Cb 0.47 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sn6 h LEU 59 CO -0.32 0.49 0.00 -0.24 0.09 0.00 0.00 178.44 178.46 1sn6 n SER 60 N -4.86 0.60 0.06 -0.43 2.88 0.63 -4.24 113.62 108.25 1sn6 n SER 60 Ca -0.08 -1.31 -0.03 0.00 -1.33 0.00 0.00 58.87 56.12 1sn6 n SER 60 Cb 0.29 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.72 1sn6 n SER 60 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1sn6 h ILE 61 N 0.88 0.00 0.00 2.46 -0.00 0.31 -3.22 117.51 117.95 1sn6 h ILE 61 Ca 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 64.86 64.50 1sn6 h ILE 61 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.01 1sn6 h ILE 61 CO 0.00 0.00 0.50 -0.07 -0.00 0.00 0.00 178.15 178.58 1sn6 h LEU 62 N -0.56 0.00 0.02 2.19 3.38 -1.74 -1.81 115.31 116.80 1sn6 h LEU 62 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sn6 h LEU 62 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1sn6 h LEU 62 CO 0.03 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.48 1sn6 h LEU 63 N 0.00 -0.02 0.00 1.67 4.07 -1.76 -3.41 115.31 115.87 1sn6 h LEU 63 Ca 0.00 -0.51 0.00 0.00 0.08 0.00 0.00 57.88 57.45 1sn6 h LEU 63 Cb 0.99 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1sn6 h LEU 63 CO 0.00 0.72 -0.15 -0.62 -1.08 0.00 0.00 178.44 177.31 1sn6 n GLU 64 N -4.72 0.00 0.18 1.13 -0.58 -0.69 -4.77 120.64 111.20 1sn6 n GLU 64 Ca -0.06 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.71 1sn6 n GLU 64 Cb 0.26 -0.23 0.16 0.00 -0.57 0.00 0.00 31.44 31.05 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 -2.75 3.49 5.08 -1.73 -3.36 114.58 115.31 1sn6 h GLU 65 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1sn6 h GLU 65 Cb 0.15 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.13 1sn6 h GLU 65 CO 0.00 0.00 -0.33 0.54 -1.00 0.00 0.00 179.01 178.22 1sn6 s VAL 66 N -3.21 -0.02 0.49 3.13 0.11 -1.18 -5.04 120.40 114.69 1sn6 s VAL 66 Ca -0.01 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 58.92 1sn6 s VAL 66 Cb 0.02 -0.55 -0.08 0.00 -1.53 0.00 0.00 36.38 34.24 1sn6 s VAL 66 CO 0.05 0.03 1.08 -0.55 -3.33 0.00 0.00 175.10 172.39 1sn6 s SER 67 N 1.13 6.18 0.63 3.54 0.15 -1.26 -4.38 113.70 119.68 1sn6 s SER 67 Ca -0.08 2.05 0.33 0.00 0.70 0.00 0.00 55.95 58.96 1sn6 s SER 67 Cb -0.08 -2.57 1.87 0.00 -1.71 0.00 0.00 66.02 63.54 1sn6 s SER 67 CO -0.09 -0.90 2.15 1.55 1.20 0.00 0.00 173.24 177.14 1sn6 h PRO 68 N 1.60 0.00 0.01 5.44 0.13 -1.87 -2.46 132.00 134.85 1sn6 h PRO 68 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1sn6 h PRO 68 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sn6 h PRO 68 CO 0.59 0.00 -0.00 1.49 -0.23 0.00 0.00 178.00 179.84 1sn6 h GLU 69 N 0.00 -0.01 -1.00 0.86 4.81 -1.90 -3.17 114.58 114.17 1sn6 h GLU 69 Ca 0.04 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.46 1sn6 h GLU 69 Cb 0.37 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.65 1sn6 h GLU 69 CO -0.00 0.79 0.61 1.25 -0.73 0.00 0.00 179.01 180.94 1sn6 h LEU 70 N -0.97 0.78 0.01 1.64 5.85 -1.83 -2.06 115.31 118.72 1sn6 h LEU 70 Ca -0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1sn6 h LEU 70 Cb 0.81 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1sn6 h LEU 70 CO 0.00 0.29 -0.16 0.58 -0.34 0.00 0.00 178.44 178.80 1sn6 h VAL 71 N 0.76 0.00 0.00 1.05 2.07 -1.50 0.69 116.25 119.32 1sn6 h VAL 71 Ca 0.57 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.09 1sn6 h VAL 71 Cb 0.89 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1sn6 h VAL 71 CO -0.36 0.00 0.63 0.00 0.02 0.00 0.00 177.57 177.86 1sn6 h SER 73 N 0.00 0.00 -1.00 0.00 0.87 0.44 -3.26 113.55 110.59 1sn6 h SER 73 Ca 0.00 -0.45 0.18 0.00 -1.23 0.00 0.00 61.79 60.29 1sn6 h SER 73 Cb 1.26 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.12 1sn6 h SER 73 CO 0.00 0.89 0.62 0.24 -0.53 0.00 0.00 176.83 178.04 1sn6 h MET 74 N -1.00 0.78 0.00 2.24 2.86 0.38 2.17 114.93 122.36 1sn6 h MET 74 Ca -0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1sn6 h MET 74 Cb 0.66 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1sn6 h MET 74 CO -0.04 0.51 0.00 1.28 1.06 0.00 0.00 176.91 179.73 1sn6 n LEU 75 N -4.74 0.07 -3.58 1.22 4.77 0.20 -4.83 117.00 110.11 1sn6 n LEU 75 Ca 0.23 0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 56.50 1sn6 n LEU 75 Cb 0.54 -0.54 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1sn6 n LEU 75 CO 0.22 -0.55 -0.02 1.41 -1.33 0.00 0.00 177.39 177.12 1sn6 n HIS 76 N -1.59 -2.15 -0.03 -1.77 8.25 0.73 -4.90 115.22 113.77 1sn6 n HIS 76 Ca -0.00 0.67 -0.04 0.00 -0.26 0.00 0.00 57.72 58.09 1sn6 n HIS 76 Cb 0.01 -3.43 -0.13 0.00 1.12 0.00 0.00 29.99 27.56 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1sn6 n LEU 77 N -3.36 0.50 0.22 2.41 4.77 -1.24 -3.99 117.00 116.31 1sn6 n LEU 77 Ca -0.12 0.23 0.10 0.00 -0.03 0.00 0.00 56.01 56.19 1sn6 n LEU 77 Cb 0.59 0.22 0.40 0.00 -2.33 0.00 0.00 43.42 42.30 1sn6 n LEU 77 CO 0.64 0.29 0.78 0.00 -1.33 0.00 0.00 177.39 177.77 1sn6 n SER 79 N -3.31 1.54 0.11 0.00 3.41 -1.26 -4.74 113.62 109.38 1sn6 n SER 79 Ca 0.01 0.20 -0.01 0.00 -0.26 0.00 0.00 58.87 58.81 1sn6 n SER 79 Cb 0.47 -1.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.22 1sn6 n SER 79 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sn6 h GLY 80 N 13.32 0.00 -0.18 5.00 0.00 -1.84 -3.46 103.07 115.91 1sn6 h GLY 80 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.95 1sn6 h GLY 80 CO 1.15 0.00 -0.15 1.47 0.00 0.00 0.00 176.54 179.01 1sn6 n LEU 81 N -3.35 0.00 -4.71 3.11 -0.00 -1.26 -4.91 117.00 105.88 1sn6 n LEU 81 Ca 0.01 -0.99 -0.41 0.00 -0.00 0.00 0.00 56.01 54.61 1sn6 n LEU 81 Cb 0.79 0.22 -0.04 0.00 -0.00 0.00 0.00 43.42 44.39 1sn6 n LEU 81 CO 0.43 -0.15 0.59 0.68 -0.00 0.00 0.00 177.39 178.95 1sn6 s VAL 82 N -1.80 4.89 -0.41 1.47 -7.23 -1.26 -4.91 120.40 111.16 1sn6 s VAL 82 Ca 0.03 1.88 -0.40 0.00 -1.81 0.00 0.00 61.98 61.67 1sn6 s VAL 82 Cb 0.00 -4.24 -0.16 0.00 0.56 0.00 0.00 36.38 32.55 1sn6 s VAL 82 CO 0.02 0.20 2.05 -2.65 -0.31 0.00 0.00 175.10 174.41 1sn6 n PRO 83 N 3.76 0.58 0.00 4.82 -0.02 -1.26 -5.19 135.00 137.70 1sn6 n PRO 83 Ca 0.04 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 1sn6 n PRO 83 Cb 0.51 -1.95 0.75 0.00 -0.02 0.00 0.00 33.50 32.79 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02