#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 3.90 -0.07 -3.46 2.03 -1.26 -4.14 116.55 113.54 1sn6 n ASP 2 Ca 0.00 -2.14 -0.08 0.00 0.52 0.00 0.00 54.79 53.09 1sn6 n ASP 2 Cb 0.00 -0.95 -0.04 0.00 -0.72 0.00 0.00 41.12 39.41 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1sn6 h VAL 3 N 1.83 0.23 0.00 5.18 2.07 -2.01 -3.34 116.25 120.21 1sn6 h VAL 3 Ca 0.08 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1sn6 h VAL 3 Cb 0.95 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1sn6 h VAL 3 CO 0.17 0.08 0.00 1.88 0.02 0.00 0.00 177.57 179.72 1sn6 h TYR 4 N -1.00 0.00 -0.37 1.57 -1.99 -1.93 -2.67 116.97 110.58 1sn6 h TYR 4 Ca -0.07 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.57 1sn6 h TYR 4 Cb 0.62 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 1sn6 h TYR 4 CO -0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 178.16 177.92 1sn6 h GLU 6 N 0.54 0.00 0.11 0.00 5.08 -1.60 -2.82 114.58 115.88 1sn6 h GLU 6 Ca 0.09 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 1sn6 h GLU 6 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1sn6 h GLU 6 CO 0.04 0.48 -1.57 0.28 -1.00 0.00 0.00 179.01 177.24 1sn6 h VAL 7 N 0.00 1.11 0.00 3.13 2.07 -1.31 -2.91 116.25 118.33 1sn6 h VAL 7 Ca -0.00 -2.76 -0.04 0.00 0.82 0.00 0.00 66.70 64.72 1sn6 h VAL 7 Cb 1.26 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 1sn6 h VAL 7 CO 0.06 0.81 -0.19 0.00 0.02 0.00 0.00 177.57 178.27 1sn6 h GLU 9 N 0.00 0.07 0.00 0.00 5.08 -1.58 -3.02 114.58 115.13 1sn6 h GLU 9 Ca -0.00 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1sn6 h GLU 9 Cb 0.79 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1sn6 h GLU 9 CO 0.02 0.74 -0.53 0.35 -1.00 0.00 0.00 179.01 178.59 1sn6 h PHE 10 N 0.02 0.00 0.00 4.33 3.57 -1.45 -2.84 116.94 120.56 1sn6 h PHE 10 Ca -0.26 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.18 1sn6 h PHE 10 Cb 1.99 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.72 1sn6 h PHE 10 CO 0.02 0.53 -0.46 -0.07 -2.23 0.00 0.00 178.31 176.10 1sn6 h LEU 11 N 0.00 0.00 -2.26 0.59 3.38 -1.54 -2.96 115.31 112.52 1sn6 h LEU 11 Ca -0.01 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1sn6 h LEU 11 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1sn6 h LEU 11 CO 0.07 0.95 -0.04 -0.37 0.09 0.00 0.00 178.44 179.14 1sn6 h VAL 12 N -1.00 0.62 0.19 1.22 -1.51 -1.67 -1.66 116.25 112.45 1sn6 h VAL 12 Ca -0.09 -0.15 -0.31 0.00 -1.23 0.00 0.00 66.70 64.92 1sn6 h VAL 12 Cb 0.72 1.09 0.02 0.00 -2.13 0.00 0.00 31.29 31.00 1sn6 h VAL 12 CO -0.06 0.04 -1.36 0.50 -1.23 0.00 0.00 177.57 175.46 1sn6 h LYS 13 N 0.00 0.45 0.47 5.19 3.64 -1.64 -2.92 116.57 121.76 1sn6 h LYS 13 Ca -0.00 -0.74 -0.02 0.00 -1.27 0.00 0.00 60.65 58.62 1sn6 h LYS 13 Cb 0.09 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1sn6 h LYS 13 CO 0.00 1.35 -0.22 1.49 -2.27 0.00 0.00 179.45 179.80 1sn6 h GLU 14 N 0.13 -0.60 -1.04 1.90 4.22 -1.24 -2.95 114.58 114.99 1sn6 h GLU 14 Ca -0.20 0.04 0.34 0.00 0.08 0.00 0.00 59.36 59.62 1sn6 h GLU 14 Cb 2.06 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 31.31 1sn6 h GLU 14 CO 0.24 -0.40 0.61 -0.24 -2.18 0.00 0.00 179.01 177.04 1sn6 h VAL 15 N -1.15 0.28 -0.59 0.32 3.04 -1.48 1.55 116.25 118.22 1sn6 h VAL 15 Ca -0.06 -0.10 0.09 0.00 -1.01 0.00 0.00 66.70 65.62 1sn6 h VAL 15 Cb 0.48 -0.03 -0.07 0.00 -2.01 0.00 0.00 31.29 29.66 1sn6 h VAL 15 CO 0.11 0.05 0.22 0.71 -1.01 0.00 0.00 177.57 177.65 1sn6 h THR 16 N 0.29 0.78 -1.17 3.17 1.35 -1.42 1.19 112.91 117.10 1sn6 h THR 16 Ca 0.74 -0.14 0.34 0.00 -0.55 0.00 0.00 66.41 66.80 1sn6 h THR 16 Cb 1.79 0.34 -0.10 0.00 -1.73 0.00 0.00 68.15 68.46 1sn6 h THR 16 CO -0.57 0.07 0.76 0.11 -0.25 0.00 0.00 175.52 175.65 1sn6 h LYS 17 N 0.40 0.23 0.00 4.72 1.79 0.24 2.64 116.57 126.59 1sn6 h LYS 17 Ca 0.30 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.60 1sn6 h LYS 17 Cb 0.36 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1sn6 h LYS 17 CO -0.30 0.15 -1.18 1.28 -1.08 0.00 0.00 179.45 178.32 1sn6 n LEU 18 N -4.60 1.87 0.31 2.94 4.77 0.80 -3.96 117.00 119.13 1sn6 n LEU 18 Ca 0.30 0.47 0.14 0.00 -0.03 0.00 0.00 56.01 56.89 1sn6 n LEU 18 Cb 1.13 -0.87 0.72 0.00 -2.33 0.00 0.00 43.42 42.08 1sn6 n LEU 18 CO 0.25 -0.02 1.12 0.40 -1.33 0.00 0.00 177.39 177.81 1sn6 h ILE 19 N -1.00 0.03 -0.28 -0.08 2.04 0.19 -0.28 117.51 118.13 1sn6 h ILE 19 Ca -0.23 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.66 1sn6 h ILE 19 Cb 1.04 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1sn6 h ILE 19 CO -0.14 0.00 -0.52 -0.78 0.00 0.00 0.00 178.15 176.71 1sn6 h ASP 20 N 0.00 -1.69 -0.10 1.72 3.58 0.45 -3.38 116.42 116.99 1sn6 h ASP 20 Ca 0.02 0.21 -0.20 0.00 0.42 0.00 0.00 57.03 57.49 1sn6 h ASP 20 Cb 0.86 0.68 -0.19 0.00 1.72 0.00 0.00 39.33 42.40 1sn6 h ASP 20 CO -0.00 -0.41 -0.44 0.59 -2.88 0.00 0.00 179.24 176.10 1sn6 n ASN 21 N -5.20 -1.03 -0.06 2.28 4.13 -0.76 -4.98 115.26 109.64 1sn6 n ASN 21 Ca -0.04 -2.27 -0.05 0.00 1.68 0.00 0.00 54.58 53.90 1sn6 n ASN 21 Cb 0.33 0.55 -0.02 0.00 -1.54 0.00 0.00 39.78 39.11 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1sn6 n ASN 22 N -1.16 1.34 -4.62 6.41 5.03 -0.19 -4.85 115.26 117.21 1sn6 n ASN 22 Ca -0.10 0.38 -0.39 0.00 0.87 0.00 0.00 54.58 55.33 1sn6 n ASN 22 Cb 0.86 -0.72 -0.08 0.00 -1.02 0.00 0.00 39.78 38.82 1sn6 n ASN 22 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1sn6 s LYS 23 N -2.13 4.08 0.03 3.52 0.00 -1.26 -5.07 119.74 118.91 1sn6 s LYS 23 Ca -0.16 0.22 -0.01 0.00 0.00 0.00 0.00 55.97 56.03 1sn6 s LYS 23 Cb 0.02 -3.63 0.01 0.00 0.00 0.00 0.00 37.83 34.23 1sn6 s LYS 23 CO 0.23 -0.26 0.05 0.25 0.00 0.00 0.00 175.35 175.61 1sn6 n THR 24 N 4.97 0.00 0.43 3.79 -2.24 -1.26 -4.94 114.28 115.03 1sn6 n THR 24 Ca -0.06 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.74 1sn6 n THR 24 Cb 0.50 -1.94 0.20 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.10 2.36 0.00 -0.78 1.02 -1.26 -4.02 120.64 116.87 1sn6 n GLU 25 Ca 0.01 -1.60 -0.21 0.00 -0.02 0.00 0.00 57.16 55.34 1sn6 n GLU 25 Cb 0.02 -1.52 -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 2.40 0.22 0.00 3.49 1.79 -1.99 -2.65 116.57 119.82 1sn6 h LYS 26 Ca 0.00 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1sn6 h LYS 26 Cb 0.81 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1sn6 h LYS 26 CO 0.09 1.18 0.00 0.93 -1.08 0.00 0.00 179.45 180.57 1sn6 h GLU 27 N -0.39 0.00 0.00 3.15 4.39 -1.96 -2.93 114.58 116.84 1sn6 h GLU 27 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1sn6 h GLU 27 Cb 1.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1sn6 h GLU 27 CO 0.05 0.00 0.00 -0.89 -1.16 0.00 0.00 179.01 177.01 1sn6 n ILE 28 N -2.41 0.00 0.02 3.13 2.08 -1.23 -2.84 119.36 118.11 1sn6 n ILE 28 Ca 0.02 0.37 0.19 0.00 0.56 0.00 0.00 62.75 63.89 1sn6 n ILE 28 Cb 0.26 -1.19 0.43 0.00 -0.75 0.00 0.00 39.64 38.39 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 -0.02 1.39 -0.00 -1.58 1.44 115.31 116.54 1sn6 h LEU 29 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1sn6 h LEU 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1sn6 h LEU 29 CO 0.00 0.00 -0.12 0.44 -0.00 0.00 0.00 178.44 178.76 1sn6 h ASP 30 N 0.00 0.14 -1.06 -0.43 5.19 -1.64 -2.81 116.42 115.80 1sn6 h ASP 30 Ca 0.28 -0.69 0.28 0.00 -0.62 0.00 0.00 57.03 56.27 1sn6 h ASP 30 Cb 2.17 -0.04 -0.09 0.00 0.18 0.00 0.00 39.33 41.55 1sn6 h ASP 30 CO -0.00 0.80 0.69 0.00 -3.12 0.00 0.00 179.24 177.61 1sn6 h ALA 31 N 0.33 2.37 -0.14 3.45 0.00 0.21 1.03 119.26 126.51 1sn6 h ALA 31 Ca -0.01 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1sn6 h ALA 31 Cb 0.81 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1sn6 h ALA 31 CO 0.02 -0.76 -0.63 0.74 0.00 0.00 0.00 179.25 178.63 1sn6 h PHE 32 N 0.33 0.66 0.00 0.00 -1.00 -1.41 1.35 116.94 116.87 1sn6 h PHE 32 Ca 0.59 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1sn6 h PHE 32 Cb 1.62 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 41.06 1sn6 h PHE 32 CO -0.00 1.00 0.00 -0.25 -1.61 0.00 0.00 178.31 177.45 1sn6 n ASP 33 N -3.91 0.00 0.00 2.17 8.00 0.34 -1.84 116.55 121.31 1sn6 n ASP 33 Ca -0.04 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1sn6 n ASP 33 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -0.80 0.00 -0.00 -1.24 5.02 -0.46 -4.52 118.16 116.16 1sn6 n LYS 34 Ca 0.09 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 1sn6 n LYS 34 Cb 0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.99 1sn6 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1sn6 h MET 35 N 0.00 0.11 -0.94 1.97 1.85 0.16 -0.92 114.93 117.16 1sn6 h MET 35 Ca 0.00 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1sn6 h MET 35 Cb 0.00 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 32.01 1sn6 h MET 35 CO 0.00 0.16 0.00 0.00 -0.40 0.00 0.00 176.91 176.67 1sn6 n SER 37 N 0.10 1.92 0.28 0.00 2.88 -0.36 -4.24 113.62 114.21 1sn6 n SER 37 Ca 0.04 0.35 0.16 0.00 -1.33 0.00 0.00 58.87 58.10 1sn6 n SER 37 Cb 0.40 -0.87 0.78 0.00 -0.75 0.00 0.00 64.21 63.77 1sn6 n SER 37 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1sn6 h LYS 38 N -0.93 0.00 -6.23 -1.46 2.10 -1.60 -3.45 116.57 104.99 1sn6 h LYS 38 Ca -0.54 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.51 1sn6 h LYS 38 Cb 1.51 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 33.00 1sn6 h LYS 38 CO -0.31 0.06 -0.71 -0.11 -2.00 0.00 0.00 179.45 176.38 1sn6 n LEU 39 N -3.26 -1.33 -4.70 7.07 7.94 -1.26 -4.77 117.00 116.69 1sn6 n LEU 39 Ca -0.01 0.76 -0.44 0.00 -1.11 0.00 0.00 56.01 55.22 1sn6 n LEU 39 Cb 0.26 -1.01 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 1sn6 n LEU 39 CO 0.27 -3.72 1.25 -2.65 -1.11 0.00 0.00 177.39 171.43 1sn6 n PRO 40 N 0.79 2.45 -0.29 1.96 -0.02 -1.26 -4.52 135.00 134.11 1sn6 n PRO 40 Ca 0.10 0.88 0.14 0.00 -2.02 0.00 0.00 63.50 62.61 1sn6 n PRO 40 Cb 0.44 -2.67 0.27 0.00 -0.02 0.00 0.00 33.50 31.53 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 3.35 -0.06 0.13 -0.52 4.81 -1.26 0.82 118.16 125.42 1sn6 n LYS 41 Ca 0.15 1.24 -0.14 0.00 -0.87 0.00 0.00 58.31 58.70 1sn6 n LYS 41 Cb 0.32 -2.01 -0.08 0.00 0.02 0.00 0.00 35.03 33.29 1sn6 n LYS 41 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1sn6 h SER 42 N 0.00 -1.24 0.17 3.14 0.87 -2.01 -0.33 113.55 114.16 1sn6 h SER 42 Ca 0.53 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 1sn6 h SER 42 Cb 1.14 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1sn6 h SER 42 CO -0.77 -0.47 -0.02 0.18 -0.53 0.00 0.00 176.83 175.22 1sn6 n LEU 43 N -4.88 0.22 0.13 2.23 4.32 0.17 -2.64 117.00 116.55 1sn6 n LEU 43 Ca -0.08 0.01 0.03 0.00 -0.02 0.00 0.00 56.01 55.95 1sn6 n LEU 43 Cb 0.34 -0.09 0.02 0.00 -1.62 0.00 0.00 43.42 42.07 1sn6 n LEU 43 CO 0.15 0.04 0.37 0.77 -1.22 0.00 0.00 177.39 177.50 1sn6 h SER 44 N 0.32 0.00 0.18 -1.43 4.64 0.17 0.10 113.55 117.53 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 0.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1sn6 h SER 44 CO 0.00 0.47 -1.17 -0.33 -0.87 0.00 0.00 176.83 174.93 1sn6 h GLU 45 N 0.00 0.38 0.00 4.77 4.39 -0.87 -2.83 114.58 120.42 1sn6 h GLU 45 Ca -0.03 -0.65 -0.08 0.00 0.34 0.00 0.00 59.36 58.94 1sn6 h GLU 45 Cb 1.38 0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.27 1sn6 h GLU 45 CO 0.06 1.31 -0.39 0.93 -1.16 0.00 0.00 179.01 179.76 1sn6 h GLU 46 N -0.16 0.00 0.00 2.33 3.07 -1.55 -2.23 114.58 116.05 1sn6 h GLU 46 Ca -0.21 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.55 1sn6 h GLU 46 Cb 1.87 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.76 1sn6 h GLU 46 CO 0.18 0.39 -0.45 0.00 -1.40 0.00 0.00 179.01 177.74 1sn6 n GLN 48 N -3.43 0.18 0.02 0.00 1.13 -1.07 -2.78 117.38 111.44 1sn6 n GLN 48 Ca 0.00 0.04 -0.19 0.00 -1.94 0.00 0.00 57.00 54.91 1sn6 n GLN 48 Cb 0.60 -1.60 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 1sn6 n GLN 48 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1sn6 h GLU 49 N 0.00 0.72 0.08 -1.09 5.08 -1.05 -3.08 114.58 115.24 1sn6 h GLU 49 Ca 0.00 -0.72 -0.17 0.00 -1.00 0.00 0.00 59.36 57.47 1sn6 h GLU 49 Cb 0.65 0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.11 1sn6 h GLU 49 CO 0.00 1.30 -0.72 0.28 -1.00 0.00 0.00 179.01 178.88 1sn6 h VAL 50 N 0.41 1.48 -1.01 3.13 2.07 -1.60 -3.03 116.25 117.70 1sn6 h VAL 50 Ca -0.11 -2.33 0.26 0.00 0.82 0.00 0.00 66.70 65.34 1sn6 h VAL 50 Cb 1.61 2.93 -0.12 0.00 -1.52 0.00 0.00 31.29 34.19 1sn6 h VAL 50 CO 0.19 0.67 0.60 1.62 0.02 0.00 0.00 177.57 180.67 1sn6 h VAL 51 N -0.25 0.51 -0.83 2.57 3.04 -1.61 4.16 116.25 123.82 1sn6 h VAL 51 Ca -0.11 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 1sn6 h VAL 51 Cb 1.49 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 30.66 1sn6 h VAL 51 CO 0.14 0.10 0.43 -0.78 -1.01 0.00 0.00 177.57 176.45 1sn6 h ASP 52 N 0.54 1.06 1.71 3.17 1.82 -1.54 0.12 116.42 123.29 1sn6 h ASP 52 Ca 0.65 -0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 57.15 1sn6 h ASP 52 Cb 1.31 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 1sn6 h ASP 52 CO -0.47 0.87 -0.29 0.74 -1.61 0.00 0.00 179.24 178.47 1sn6 h THR 53 N 1.17 0.28 -2.36 2.25 2.02 0.47 -3.38 112.91 113.36 1sn6 h THR 53 Ca 0.29 -1.40 -0.59 0.00 0.77 0.00 0.00 66.41 65.48 1sn6 h THR 53 Cb 0.07 2.08 -0.40 0.00 -1.74 0.00 0.00 68.15 68.16 1sn6 h THR 53 CO -0.04 0.16 -0.84 -1.22 0.37 0.00 0.00 175.52 173.95 1sn6 n TYR 54 N -3.09 1.23 0.14 3.16 4.02 1.18 -4.79 117.16 119.00 1sn6 n TYR 54 Ca 0.03 -3.80 0.00 0.00 -0.01 0.00 0.00 57.90 54.12 1sn6 n TYR 54 Cb 0.61 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 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 1.73 -0.35 0.08 2.72 0.00 -0.09 -4.44 105.19 104.85 1sn6 n GLY 55 Ca 0.25 0.01 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 1.76 0.00 0.00 0.00 173.32 175.08 1sn6 h SER 56 N 0.00 0.00 0.00 1.61 0.02 -1.86 -3.34 113.55 109.99 1sn6 h SER 56 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1sn6 h SER 56 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1sn6 h SER 56 CO 0.00 0.07 0.00 -1.20 -1.14 0.00 0.00 176.83 174.56 1sn6 n SER 57 N -2.24 0.00 -0.13 3.07 7.64 -1.26 -2.76 113.62 117.95 1sn6 n SER 57 Ca 0.03 0.13 0.07 0.00 1.01 0.00 0.00 58.87 60.12 1sn6 n SER 57 Cb 0.45 -0.39 0.14 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.07 -0.16 -0.06 0.44 3.06 -1.26 0.22 119.36 119.53 1sn6 n ILE 58 Ca 0.00 0.81 -0.12 0.00 -2.50 0.00 0.00 62.75 60.93 1sn6 n ILE 58 Cb 0.00 -1.21 -0.11 0.00 0.54 0.00 0.00 39.64 38.85 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 -0.00 0.00 9.51 3.38 -1.77 -3.25 115.31 123.18 1sn6 h LEU 59 Ca 0.25 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1sn6 h LEU 59 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1sn6 h LEU 59 CO -0.34 0.91 0.00 -0.24 0.09 0.00 0.00 178.44 178.86 1sn6 n SER 60 N -4.65 0.00 -0.10 -0.43 2.88 0.57 -4.02 113.62 107.87 1sn6 n SER 60 Ca -0.09 -1.11 -0.15 0.00 -1.33 0.00 0.00 58.87 56.19 1sn6 n SER 60 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.92 1.50 0.00 2.46 0.00 0.60 -4.24 119.36 118.75 1sn6 n ILE 61 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.94 1sn6 n ILE 61 Cb 0.09 -2.21 0.00 0.00 0.00 0.00 0.00 39.64 37.52 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 -4.43 0.00 -0.13 9.51 4.77 -1.23 -2.35 117.00 123.16 1sn6 n LEU 62 Ca -0.25 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.46 1sn6 n LEU 62 Cb 0.59 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1sn6 n LEU 62 CO 0.14 0.00 -1.19 0.18 -1.33 0.00 0.00 177.39 175.20 1sn6 n LEU 63 N -0.78 2.00 0.06 2.23 4.77 -1.25 -4.59 117.00 119.44 1sn6 n LEU 63 Ca 0.00 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1sn6 n LEU 63 Cb 0.00 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1sn6 n LEU 63 CO 0.00 0.52 -0.10 -0.62 -1.33 0.00 0.00 177.39 175.87 1sn6 n GLU 64 N -4.23 0.00 0.03 3.23 -0.58 -1.01 -4.68 120.64 113.39 1sn6 n GLU 64 Ca -0.48 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.27 1sn6 n GLU 64 Cb 0.84 -0.26 0.06 0.00 -0.57 0.00 0.00 31.44 31.51 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 -3.23 0.02 -3.64 3.49 1.02 -1.19 -3.84 120.64 113.27 1sn6 n GLU 65 Ca 0.00 0.33 -0.18 0.00 -0.02 0.00 0.00 57.16 57.29 1sn6 n GLU 65 Cb 0.10 -1.78 -0.16 0.00 -0.02 0.00 0.00 31.44 29.58 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 -2.70 -0.24 0.54 2.62 1.01 -0.99 -5.01 120.40 115.63 1sn6 s VAL 66 Ca -0.00 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 1sn6 s VAL 66 Cb 0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 36.38 35.98 1sn6 s VAL 66 CO 0.02 0.08 1.07 -0.44 0.00 0.00 0.00 175.10 175.82 1sn6 s SER 67 N 2.28 5.97 0.28 3.32 0.01 -1.25 -3.94 113.70 120.37 1sn6 s SER 67 Ca 0.04 1.94 0.02 0.00 1.31 0.00 0.00 55.95 59.25 1sn6 s SER 67 Cb -0.13 -2.55 0.58 0.00 0.21 0.00 0.00 66.02 64.13 1sn6 s SER 67 CO -0.07 -1.04 1.81 1.55 0.41 0.00 0.00 173.24 175.91 1sn6 h PRO 68 N 1.01 0.87 -0.29 12.44 0.13 -1.87 -1.66 132.00 142.64 1sn6 h PRO 68 Ca -0.48 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1sn6 h PRO 68 Cb 1.23 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1sn6 h PRO 68 CO 0.58 0.58 0.14 1.49 -0.23 0.00 0.00 178.00 180.56 1sn6 h GLU 69 N 0.90 0.42 -0.71 0.86 4.22 -1.91 -2.50 114.58 115.86 1sn6 h GLU 69 Ca 0.51 -0.06 0.14 0.00 0.08 0.00 0.00 59.36 60.02 1sn6 h GLU 69 Cb 0.58 -0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 1sn6 h GLU 69 CO -0.30 0.41 0.23 1.25 -2.18 0.00 0.00 179.01 178.42 1sn6 h LEU 70 N 0.34 0.16 -0.25 1.64 5.85 -1.67 -1.99 115.31 119.38 1sn6 h LEU 70 Ca 0.10 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1sn6 h LEU 70 Cb 0.12 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1sn6 h LEU 70 CO -0.01 0.05 -0.43 0.58 -0.34 0.00 0.00 178.44 178.29 1sn6 h VAL 71 N 0.36 0.00 -0.94 1.05 2.07 -1.16 1.25 116.25 118.89 1sn6 h VAL 71 Ca 0.39 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.18 1sn6 h VAL 71 Cb 0.61 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1sn6 h VAL 71 CO -0.43 0.00 0.99 0.00 0.02 0.00 0.00 177.57 178.16 1sn6 h SER 73 N 0.00 0.00 -0.91 0.00 0.87 0.15 -2.71 113.55 110.96 1sn6 h SER 73 Ca 0.45 -0.62 0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1sn6 h SER 73 Cb 2.42 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 64.29 1sn6 h SER 73 CO -0.00 0.84 0.52 0.24 -0.53 0.00 0.00 176.83 177.90 1sn6 h MET 74 N -1.00 0.75 0.00 2.24 2.86 0.39 0.99 114.93 121.16 1sn6 h MET 74 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sn6 h MET 74 Cb 0.65 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1sn6 h MET 74 CO -0.01 0.50 0.00 -0.07 1.06 0.00 0.00 176.91 178.39 1sn6 h LEU 75 N 0.78 0.00 0.80 1.22 3.38 -0.19 -3.45 115.31 117.85 1sn6 h LEU 75 Ca 0.47 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.25 1sn6 h LEU 75 Cb 0.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 1sn6 h LEU 75 CO -0.31 0.00 -0.28 1.57 0.09 0.00 0.00 178.44 179.51 1sn6 n HIS 76 N -2.70 -0.73 0.28 1.13 -0.00 0.34 -4.91 115.22 108.64 1sn6 n HIS 76 Ca -0.02 0.13 0.11 0.00 0.46 0.00 0.00 57.72 58.41 1sn6 n HIS 76 Cb 0.09 -2.58 0.01 0.00 -0.12 0.00 0.00 29.99 27.39 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1sn6 n LEU 77 N -1.78 0.67 -2.80 0.27 4.32 -1.03 -4.68 117.00 111.97 1sn6 n LEU 77 Ca -0.09 0.19 -0.08 0.00 -0.02 0.00 0.00 56.01 56.01 1sn6 n LEU 77 Cb 0.57 -0.08 0.02 0.00 -1.62 0.00 0.00 43.42 42.31 1sn6 n LEU 77 CO 0.19 -0.09 0.12 0.00 -1.22 0.00 0.00 177.39 176.39 1sn6 n SER 79 N 2.29 -1.09 -0.18 0.00 2.88 -1.26 -4.77 113.62 111.48 1sn6 n SER 79 Ca 0.15 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.58 1sn6 n SER 79 Cb 0.59 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.55 1.12 -0.07 0.46 0.00 -2.01 -3.45 103.07 98.56 1sn6 h GLY 80 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.34 1sn6 h GLY 80 CO 0.00 0.84 -0.06 1.47 0.00 0.00 0.00 176.54 178.79 1sn6 n LEU 81 N -4.15 0.00 -4.70 3.11 -0.00 -1.26 -5.10 117.00 104.90 1sn6 n LEU 81 Ca 0.01 -0.37 -0.42 0.00 -0.00 0.00 0.00 56.01 55.23 1sn6 n LEU 81 Cb 0.41 0.09 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 1sn6 n LEU 81 CO 0.46 -0.06 0.63 0.68 -0.00 0.00 0.00 177.39 179.11 1sn6 s VAL 82 N -1.49 4.89 0.11 1.47 -7.23 -1.26 -4.96 120.40 111.92 1sn6 s VAL 82 Ca 0.01 1.88 -0.36 0.00 -1.81 0.00 0.00 61.98 61.71 1sn6 s VAL 82 Cb 0.00 -4.24 -0.16 0.00 0.56 0.00 0.00 36.38 32.54 1sn6 s VAL 82 CO 0.01 0.13 1.43 -2.65 -0.31 0.00 0.00 175.10 173.71 1sn6 n PRO 83 N 4.23 1.50 0.00 4.82 -0.02 -1.26 -5.10 135.00 139.17 1sn6 n PRO 83 Ca 0.05 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1sn6 n PRO 83 Cb 0.50 -2.23 0.55 0.00 -0.02 0.00 0.00 33.50 32.31 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02