#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 -3.30 -0.12 4.04 2.03 -1.26 -4.89 116.55 113.06 1sn6 n ASP 2 Ca 0.00 -0.82 -0.23 0.00 0.52 0.00 0.00 54.79 54.27 1sn6 n ASP 2 Cb 0.00 -3.83 -0.09 0.00 -0.72 0.00 0.00 41.12 36.47 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1sn6 n VAL 3 N -4.53 1.52 0.06 5.18 0.31 -1.26 -4.23 118.33 115.38 1sn6 n VAL 3 Ca -0.09 -0.14 -0.21 0.00 -0.01 0.00 0.00 64.34 63.89 1sn6 n VAL 3 Cb 0.58 -2.03 -0.12 0.00 -0.91 0.00 0.00 33.84 31.36 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 0.92 -0.91 3.52 -1.99 -1.96 -2.42 116.97 113.12 1sn6 h TYR 4 Ca -0.44 -0.54 0.22 0.00 2.00 0.00 0.00 58.73 59.96 1sn6 h TYR 4 Cb 1.34 -0.09 -0.12 0.00 2.00 0.00 0.00 36.73 39.86 1sn6 h TYR 4 CO -0.06 1.38 0.44 0.00 -0.00 0.00 0.00 178.16 179.92 1sn6 h GLU 6 N 0.46 -0.21 -0.01 0.00 5.08 -1.73 -2.77 114.58 115.40 1sn6 h GLU 6 Ca 0.57 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1sn6 h GLU 6 Cb 1.05 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1sn6 h GLU 6 CO -0.50 -0.14 0.32 0.28 -1.00 0.00 0.00 179.01 177.97 1sn6 h VAL 7 N -1.06 0.02 0.00 3.13 2.07 -1.01 0.29 116.25 119.69 1sn6 h VAL 7 Ca -0.02 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.31 1sn6 h VAL 7 Cb 0.17 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1sn6 h VAL 7 CO 0.04 0.00 -1.05 0.00 0.02 0.00 0.00 177.57 176.57 1sn6 h GLU 9 N 0.00 0.00 0.06 0.00 5.08 -0.15 -3.05 114.58 116.53 1sn6 h GLU 9 Ca -0.08 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.04 1sn6 h GLU 9 Cb 1.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1sn6 h GLU 9 CO 0.09 0.35 -1.09 0.35 -1.00 0.00 0.00 179.01 177.70 1sn6 h PHE 10 N 0.00 0.32 0.14 4.33 3.57 -1.44 -2.95 116.94 120.91 1sn6 h PHE 10 Ca -0.10 -0.22 -0.21 0.00 3.53 0.00 0.00 57.97 60.97 1sn6 h PHE 10 Cb 1.49 -0.02 0.02 0.00 2.79 0.00 0.00 35.95 40.24 1sn6 h PHE 10 CO 0.00 1.14 -0.90 -0.07 -2.23 0.00 0.00 178.31 176.25 1sn6 h LEU 11 N 0.06 0.54 -1.54 0.59 3.38 -1.64 -2.90 115.31 113.80 1sn6 h LEU 11 Ca -0.08 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 56.91 1sn6 h LEU 11 Cb 1.81 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1sn6 h LEU 11 CO 0.17 1.43 -0.24 0.58 0.09 0.00 0.00 178.44 180.46 1sn6 h VAL 12 N -0.25 1.02 0.02 1.22 2.07 -1.65 -1.52 116.25 117.15 1sn6 h VAL 12 Ca -0.15 -0.87 -0.21 0.00 0.82 0.00 0.00 66.70 66.29 1sn6 h VAL 12 Cb 1.69 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1sn6 h VAL 12 CO 0.17 0.24 -0.99 0.07 0.02 0.00 0.00 177.57 177.07 1sn6 h LYS 13 N 0.00 0.04 0.24 1.57 5.09 -1.58 -3.02 116.57 118.91 1sn6 h LYS 13 Ca -0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 60.65 60.66 1sn6 h LYS 13 Cb 0.47 0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.83 1sn6 h LYS 13 CO 0.03 1.00 -0.12 1.49 -2.09 0.00 0.00 179.45 179.76 1sn6 h GLU 14 N 0.02 -0.32 -1.05 0.07 4.81 -1.25 -2.94 114.58 113.92 1sn6 h GLU 14 Ca -0.03 0.02 0.36 0.00 -0.13 0.00 0.00 59.36 59.58 1sn6 h GLU 14 Cb 1.73 0.07 -0.15 0.00 0.63 0.00 0.00 28.75 31.03 1sn6 h GLU 14 CO 0.14 -0.21 0.61 -0.24 -0.73 0.00 0.00 179.01 178.58 1sn6 h VAL 15 N -1.00 0.23 -0.55 0.32 3.04 -1.44 2.38 116.25 119.23 1sn6 h VAL 15 Ca -0.03 -0.08 0.07 0.00 -1.01 0.00 0.00 66.70 65.65 1sn6 h VAL 15 Cb 0.25 -0.02 -0.06 0.00 -2.01 0.00 0.00 31.29 29.45 1sn6 h VAL 15 CO 0.06 0.04 0.21 0.71 -1.01 0.00 0.00 177.57 177.58 1sn6 h THR 16 N 0.23 0.83 -1.19 3.17 1.35 -1.52 1.00 112.91 116.78 1sn6 h THR 16 Ca 0.76 -0.14 0.37 0.00 -0.55 0.00 0.00 66.41 66.86 1sn6 h THR 16 Cb 1.92 0.39 -0.12 0.00 -1.73 0.00 0.00 68.15 68.60 1sn6 h THR 16 CO -0.59 0.07 0.75 0.11 -0.25 0.00 0.00 175.52 175.62 1sn6 h LYS 17 N 0.40 0.19 0.00 4.72 1.57 0.42 2.84 116.57 126.72 1sn6 h LYS 17 Ca 0.26 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1sn6 h LYS 17 Cb 0.28 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1sn6 h LYS 17 CO -0.26 0.13 -0.91 1.28 -0.57 0.00 0.00 179.45 179.13 1sn6 n LEU 18 N -4.73 1.86 0.16 2.94 4.77 0.35 -3.99 117.00 118.36 1sn6 n LEU 18 Ca 0.33 0.50 0.16 0.00 -0.03 0.00 0.00 56.01 56.97 1sn6 n LEU 18 Cb 1.21 -0.85 0.56 0.00 -2.33 0.00 0.00 43.42 42.01 1sn6 n LEU 18 CO 0.20 -0.23 1.14 0.40 -1.33 0.00 0.00 177.39 177.57 1sn6 h ILE 19 N -1.00 0.10 0.00 -0.08 2.04 0.15 0.87 117.51 119.59 1sn6 h ILE 19 Ca -0.10 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1sn6 h ILE 19 Cb 0.84 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1sn6 h ILE 19 CO -0.06 0.00 -0.00 -0.78 0.00 0.00 0.00 178.15 177.31 1sn6 h ASP 20 N 0.00 0.00 0.00 1.72 3.58 0.49 -3.39 116.42 118.83 1sn6 h ASP 20 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1sn6 h ASP 20 Cb 1.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1sn6 h ASP 20 CO -0.00 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 176.95 1sn6 n ASN 21 N -3.67 0.00 0.00 2.28 5.03 0.30 -4.91 115.26 114.28 1sn6 n ASN 21 Ca -0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1sn6 n ASN 21 Cb 0.08 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1sn6 n ASN 22 N -1.28 0.00 -4.55 6.41 5.03 -0.97 -3.02 115.26 116.88 1sn6 n ASN 22 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1sn6 n ASN 22 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 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 -3.92 3.15 0.65 3.52 2.36 -1.26 -4.99 119.74 119.25 1sn6 s LYS 23 Ca 0.00 -0.21 0.03 0.00 -2.55 0.00 0.00 55.97 53.24 1sn6 s LYS 23 Cb 0.00 -4.29 0.10 0.00 -1.05 0.00 0.00 37.83 32.59 1sn6 s LYS 23 CO 0.00 -2.23 0.89 0.95 1.55 0.00 0.00 175.35 176.51 1sn6 s THR 24 N 6.08 2.22 -1.51 3.43 -4.23 -1.17 -4.93 115.64 115.53 1sn6 s THR 24 Ca 0.40 -0.75 0.19 0.00 -1.18 0.00 0.00 61.69 60.35 1sn6 s THR 24 Cb -0.08 -2.47 0.62 0.00 1.34 0.00 0.00 72.50 71.91 1sn6 s THR 24 CO 0.14 0.00 1.53 -0.62 -0.54 0.00 0.00 174.62 175.12 1sn6 n GLU 25 N -2.56 3.07 -0.01 3.99 1.02 -1.26 -4.36 120.64 120.54 1sn6 n GLU 25 Ca 0.14 -2.66 -0.21 0.00 -0.02 0.00 0.00 57.16 54.42 1sn6 n GLU 25 Cb 0.61 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.26 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 3.84 0.20 0.00 3.49 1.57 -1.99 -2.88 116.57 120.81 1sn6 h LYS 26 Ca 0.00 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1sn6 h LYS 26 Cb 1.11 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1sn6 h LYS 26 CO 0.08 1.17 0.00 0.39 -0.57 0.00 0.00 179.45 180.51 1sn6 n GLU 27 N -4.05 0.18 0.00 3.15 -0.58 -1.26 -2.55 120.64 115.53 1sn6 n GLU 27 Ca -0.23 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1sn6 n GLU 27 Cb 0.84 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.19 0.00 0.30 -3.67 2.08 -1.23 -2.89 119.36 111.76 1sn6 n ILE 28 Ca 0.02 0.28 0.07 0.00 0.56 0.00 0.00 62.75 63.68 1sn6 n ILE 28 Cb 0.22 -1.04 0.36 0.00 -0.75 0.00 0.00 39.64 38.43 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 3.38 -1.62 1.44 115.31 119.91 1sn6 h LEU 29 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1sn6 h LEU 29 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sn6 h LEU 29 CO 0.00 0.00 -0.12 0.44 0.09 0.00 0.00 178.44 178.85 1sn6 h ASP 30 N 0.00 0.09 -0.53 -0.43 5.19 -1.64 -2.87 116.42 116.22 1sn6 h ASP 30 Ca 0.00 -0.88 0.11 0.00 -0.62 0.00 0.00 57.03 55.64 1sn6 h ASP 30 Cb 1.27 -0.03 -0.09 0.00 0.18 0.00 0.00 39.33 40.66 1sn6 h ASP 30 CO 0.00 0.95 -0.03 0.00 -3.12 0.00 0.00 179.24 177.04 1sn6 h ALA 31 N 0.13 0.47 -0.49 3.45 0.00 0.21 0.99 119.26 124.02 1sn6 h ALA 31 Ca -0.02 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1sn6 h ALA 31 Cb 0.98 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1sn6 h ALA 31 CO 0.02 -0.40 0.33 0.74 0.00 0.00 0.00 179.25 179.94 1sn6 h PHE 32 N 0.08 0.33 0.00 0.00 0.04 -1.45 1.64 116.94 117.59 1sn6 h PHE 32 Ca 0.27 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.05 1sn6 h PHE 32 Cb 0.42 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1sn6 h PHE 32 CO -0.36 0.16 0.00 -0.25 -0.60 0.00 0.00 178.31 177.26 1sn6 n ASP 33 N -4.47 0.00 0.00 2.17 8.00 0.33 -2.62 116.55 119.96 1sn6 n ASP 33 Ca 0.07 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1sn6 n ASP 33 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 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 -0.98 0.00 -0.09 -1.24 5.02 0.43 -4.51 118.16 116.79 1sn6 n LYS 34 Ca 0.20 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.42 1sn6 n LYS 34 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 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 0.24 -0.66 1.97 -1.53 0.16 0.43 114.93 115.53 1sn6 h MET 35 Ca 0.00 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.25 1sn6 h MET 35 Cb 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 1sn6 h MET 35 CO 0.00 0.16 0.00 0.00 0.14 0.00 0.00 176.91 177.21 1sn6 n SER 37 N 0.21 0.79 0.04 0.00 2.88 0.14 -4.03 113.62 113.64 1sn6 n SER 37 Ca 0.09 0.37 0.11 0.00 -1.33 0.00 0.00 58.87 58.11 1sn6 n SER 37 Cb 0.45 0.08 0.07 0.00 -0.75 0.00 0.00 64.21 64.06 1sn6 n SER 37 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1sn6 n LYS 38 N -2.99 0.28 -1.47 -1.46 2.85 -1.22 -4.94 118.16 109.21 1sn6 n LYS 38 Ca -0.17 0.02 -0.41 0.00 -1.05 0.00 0.00 58.31 56.70 1sn6 n LYS 38 Cb 1.03 -1.62 0.02 0.00 -0.65 0.00 0.00 35.03 33.80 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 -1.99 0.45 -4.35 -5.58 7.94 -1.26 -4.86 117.00 107.35 1sn6 n LEU 39 Ca 0.02 0.88 -0.33 0.00 -1.11 0.00 0.00 56.01 55.48 1sn6 n LEU 39 Cb 0.43 -1.15 0.14 0.00 0.53 0.00 0.00 43.42 43.37 1sn6 n LEU 39 CO 0.39 -2.78 -0.30 -2.65 -1.11 0.00 0.00 177.39 170.94 1sn6 n PRO 40 N 0.39 -0.78 0.38 1.96 -0.02 -1.26 -4.56 135.00 131.11 1sn6 n PRO 40 Ca 0.11 -0.20 -0.18 0.00 -2.02 0.00 0.00 63.50 61.21 1sn6 n PRO 40 Cb 0.41 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 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 -1.74 -0.95 -0.19 -0.52 3.64 -1.97 0.51 116.57 115.35 1sn6 h LYS 41 Ca -0.47 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1sn6 h LYS 41 Cb 1.31 0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 33.30 1sn6 h LYS 41 CO 0.35 -0.64 -0.37 0.77 -2.27 0.00 0.00 179.45 177.30 1sn6 h SER 42 N -0.99 -1.21 0.03 4.20 0.02 -2.01 0.12 113.55 113.71 1sn6 h SER 42 Ca -0.09 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1sn6 h SER 42 Cb 0.78 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1sn6 h SER 42 CO 0.13 -0.30 0.00 0.18 -1.14 0.00 0.00 176.83 175.70 1sn6 n LEU 43 N -4.49 0.00 0.08 5.07 4.77 -1.23 -2.07 117.00 119.14 1sn6 n LEU 43 Ca -0.03 0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1sn6 n LEU 43 Cb 0.24 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1sn6 n LEU 43 CO 0.03 -0.00 -0.05 -1.28 -1.33 0.00 0.00 177.39 174.76 1sn6 h SER 44 N 0.00 0.00 0.54 -1.43 0.87 0.16 -2.14 113.55 111.55 1sn6 h SER 44 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 1sn6 h SER 44 Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1sn6 h SER 44 CO 0.00 0.27 -1.39 -0.33 -0.53 0.00 0.00 176.83 174.85 1sn6 h GLU 45 N 0.00 0.26 0.00 2.24 5.08 -0.71 -2.35 114.58 119.11 1sn6 h GLU 45 Ca -0.07 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.75 1sn6 h GLU 45 Cb 1.27 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1sn6 h GLU 45 CO 0.02 1.16 -0.49 0.93 -1.00 0.00 0.00 179.01 179.64 1sn6 h GLU 46 N 0.07 0.00 0.00 2.33 5.08 -1.62 -0.60 114.58 119.84 1sn6 h GLU 46 Ca -0.19 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1sn6 h GLU 46 Cb 2.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1sn6 h GLU 46 CO 0.18 0.41 -0.73 0.00 -1.00 0.00 0.00 179.01 177.88 1sn6 n GLN 48 N -3.10 0.64 -0.04 0.00 1.13 -0.88 -2.89 117.38 112.23 1sn6 n GLN 48 Ca -0.01 0.20 -0.13 0.00 -1.94 0.00 0.00 57.00 55.12 1sn6 n GLN 48 Cb 0.74 -1.75 -0.08 0.00 0.11 0.00 0.00 30.24 29.26 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 0.24 -0.42 -1.09 4.81 -1.15 -3.04 114.58 113.92 1sn6 h GLU 49 Ca -0.27 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1sn6 h GLU 49 Cb 1.85 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.22 1sn6 h GLU 49 CO 0.06 0.67 0.09 -0.24 -0.73 0.00 0.00 179.01 178.86 1sn6 h VAL 50 N -0.18 1.23 -0.70 0.32 3.04 -1.56 -3.01 116.25 115.39 1sn6 h VAL 50 Ca 0.01 -0.82 0.06 0.00 -1.01 0.00 0.00 66.70 64.95 1sn6 h VAL 50 Cb 0.63 0.96 -0.09 0.00 -2.01 0.00 0.00 31.29 30.78 1sn6 h VAL 50 CO 0.03 0.29 -0.45 0.58 -1.01 0.00 0.00 177.57 177.00 1sn6 h VAL 51 N 0.55 0.00 -1.10 1.51 2.07 -1.50 4.06 116.25 121.85 1sn6 h VAL 51 Ca 0.13 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.95 1sn6 h VAL 51 Cb 0.33 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.01 1sn6 h VAL 51 CO 0.00 0.00 0.72 0.44 0.02 0.00 0.00 177.57 178.75 1sn6 h ASP 52 N -0.05 0.36 1.37 0.57 5.19 -1.47 1.89 116.42 124.29 1sn6 h ASP 52 Ca 0.11 0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.49 1sn6 h ASP 52 Cb 0.34 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1sn6 h ASP 52 CO -0.69 0.04 -0.64 0.74 -3.12 0.00 0.00 179.24 175.57 1sn6 h THR 53 N 0.30 0.77 -2.08 0.35 2.02 0.49 -3.38 112.91 111.37 1sn6 h THR 53 Ca 0.62 -2.13 -0.58 0.00 0.77 0.00 0.00 66.41 65.09 1sn6 h THR 53 Cb 1.75 2.34 -0.40 0.00 -1.74 0.00 0.00 68.15 70.10 1sn6 h THR 53 CO -0.28 0.44 -0.89 -1.22 0.37 0.00 0.00 175.52 173.94 1sn6 n TYR 54 N -3.16 1.37 0.11 3.16 4.02 1.14 -4.75 117.16 119.05 1sn6 n TYR 54 Ca 0.00 -3.82 0.00 0.00 -0.01 0.00 0.00 57.90 54.07 1sn6 n TYR 54 Cb 0.74 -0.44 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 1.13 -0.23 0.07 2.72 0.00 0.14 -4.48 105.19 104.55 1sn6 n GLY 55 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.38 1sn6 n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sn6 n SER 56 N -3.31 0.67 -0.02 1.61 2.88 -1.26 -4.00 113.62 110.20 1sn6 n SER 56 Ca 0.00 0.11 -0.01 0.00 -1.33 0.00 0.00 58.87 57.64 1sn6 n SER 56 Cb 0.02 0.65 -0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1sn6 n SER 56 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1sn6 h SER 57 N 0.00 0.00 -0.53 -3.46 0.02 -1.90 -2.79 113.55 104.90 1sn6 h SER 57 Ca 0.00 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1sn6 h SER 57 Cb 0.88 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.32 1sn6 h SER 57 CO 0.00 0.16 0.05 0.00 -1.14 0.00 0.00 176.83 175.90 1sn6 n ILE 58 N -2.76 -0.22 0.12 3.27 3.06 -1.26 0.30 119.36 121.86 1sn6 n ILE 58 Ca -0.01 1.15 -0.18 0.00 -2.50 0.00 0.00 62.75 61.21 1sn6 n ILE 58 Cb 0.05 -1.71 -0.14 0.00 0.54 0.00 0.00 39.64 38.38 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 0.55 -1.39 9.51 3.38 -1.74 -3.30 115.31 122.31 1sn6 h LEU 59 Ca 0.34 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1sn6 h LEU 59 Cb 0.73 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1sn6 h LEU 59 CO -0.49 1.45 0.00 -1.20 0.09 0.00 0.00 178.44 178.29 1sn6 n SER 60 N -3.59 2.14 -0.02 -0.43 7.64 0.86 -4.32 113.62 115.90 1sn6 n SER 60 Ca -0.11 -1.72 -0.00 0.00 1.01 0.00 0.00 58.87 58.05 1sn6 n SER 60 Cb 1.04 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 64.20 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 3.21 0.00 0.00 0.44 -0.00 0.39 -2.93 117.51 118.61 1sn6 h ILE 61 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 1sn6 h ILE 61 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 37.51 1sn6 h ILE 61 CO 0.00 0.00 0.01 0.18 -0.00 0.00 0.00 178.15 178.34 1sn6 n LEU 62 N -3.66 0.00 -0.09 2.19 4.77 -1.26 -1.70 117.00 117.25 1sn6 n LEU 62 Ca -0.00 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 1sn6 n LEU 62 Cb 0.01 -0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 40.69 1sn6 n LEU 62 CO 0.00 -0.29 -0.29 -0.07 -1.33 0.00 0.00 177.39 175.41 1sn6 h LEU 63 N 0.00 0.03 0.00 2.23 -0.00 -1.69 -3.42 115.31 112.47 1sn6 h LEU 63 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 1sn6 h LEU 63 Cb 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1sn6 h LEU 63 CO 0.00 1.39 -0.12 -0.62 -0.00 0.00 0.00 178.44 179.09 1sn6 n GLU 64 N -4.43 0.00 0.07 1.13 1.02 -0.86 -4.73 120.64 112.84 1sn6 n GLU 64 Ca -0.26 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 56.90 1sn6 n GLU 64 Cb 0.65 -0.19 0.13 0.00 -0.02 0.00 0.00 31.44 32.01 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 -3.25 0.03 -3.76 3.49 1.02 -1.14 -4.04 120.64 113.00 1sn6 n GLU 65 Ca 0.00 0.38 -0.14 0.00 -0.02 0.00 0.00 57.16 57.38 1sn6 n GLU 65 Cb 0.06 -1.91 -0.15 0.00 -0.02 0.00 0.00 31.44 29.42 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 -2.83 -0.05 0.65 2.62 1.01 -0.69 -5.00 120.40 116.12 1sn6 s VAL 66 Ca -0.01 0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 1sn6 s VAL 66 Cb 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 36.38 36.21 1sn6 s VAL 66 CO 0.04 0.07 1.02 -0.55 0.00 0.00 0.00 175.10 175.68 1sn6 s SER 67 N 1.03 5.57 0.06 3.32 0.15 -1.26 -4.00 113.70 118.57 1sn6 s SER 67 Ca -0.08 1.00 -0.24 0.00 0.70 0.00 0.00 55.95 57.33 1sn6 s SER 67 Cb -0.11 -1.89 -0.16 0.00 -1.71 0.00 0.00 66.02 62.15 1sn6 s SER 67 CO -0.05 -1.19 1.62 1.55 1.20 0.00 0.00 173.24 176.37 1sn6 h PRO 68 N -0.44 -0.05 0.00 5.44 0.13 -1.86 -2.63 132.00 132.58 1sn6 h PRO 68 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1sn6 h PRO 68 Cb 1.25 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1sn6 h PRO 68 CO 0.63 0.07 -0.05 1.05 -0.23 0.00 0.00 178.00 179.47 1sn6 h GLU 69 N -0.17 0.00 -0.03 0.86 4.11 -1.89 -2.29 114.58 115.17 1sn6 h GLU 69 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1sn6 h GLU 69 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1sn6 h GLU 69 CO 0.01 0.05 0.01 1.25 0.07 0.00 0.00 179.01 180.40 1sn6 h LEU 70 N 0.00 0.05 -0.69 3.06 5.85 -1.85 -2.70 115.31 119.02 1sn6 h LEU 70 Ca -0.00 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.70 1sn6 h LEU 70 Cb 0.09 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 40.98 1sn6 h LEU 70 CO 0.01 0.19 -0.14 0.58 -0.34 0.00 0.00 178.44 178.73 1sn6 h VAL 71 N -0.10 0.32 -0.66 1.05 2.07 -1.22 2.32 116.25 120.02 1sn6 h VAL 71 Ca 0.01 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.72 1sn6 h VAL 71 Cb 0.16 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1sn6 h VAL 71 CO -0.00 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.08 1sn6 h SER 73 N 0.00 -0.11 -0.62 0.00 0.87 0.40 -1.48 113.55 112.61 1sn6 h SER 73 Ca 0.31 -0.35 0.13 0.00 -1.23 0.00 0.00 61.79 60.65 1sn6 h SER 73 Cb 1.28 0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 63.17 1sn6 h SER 73 CO -0.00 0.52 0.05 0.24 -0.53 0.00 0.00 176.83 177.11 1sn6 h MET 74 N -0.97 0.16 0.00 2.24 2.86 0.78 0.88 114.93 120.89 1sn6 h MET 74 Ca -0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1sn6 h MET 74 Cb 0.45 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 1sn6 h MET 74 CO 0.02 0.11 -0.09 -0.07 1.06 0.00 0.00 176.91 177.94 1sn6 h LEU 75 N 0.17 0.00 -3.79 1.22 3.38 0.13 -3.46 115.31 112.95 1sn6 h LEU 75 Ca 0.33 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.74 1sn6 h LEU 75 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1sn6 h LEU 75 CO -0.49 0.09 -1.00 1.41 0.09 0.00 0.00 178.44 178.54 1sn6 n HIS 76 N -4.09 -1.56 0.22 1.13 8.25 0.31 -4.84 115.22 114.64 1sn6 n HIS 76 Ca -0.03 0.22 0.12 0.00 -0.26 0.00 0.00 57.72 57.77 1sn6 n HIS 76 Cb 0.18 -2.90 0.05 0.00 1.12 0.00 0.00 29.99 28.44 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1sn6 h LEU 77 N -2.23 0.00 0.00 2.41 -0.00 -1.84 -3.41 115.31 110.23 1sn6 h LEU 77 Ca -0.69 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.14 1sn6 h LEU 77 Cb 1.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 1sn6 h LEU 77 CO 0.49 0.03 0.00 0.00 -0.00 0.00 0.00 178.44 178.96 1sn6 s SER 79 N -1.58 7.14 0.20 0.00 0.01 -1.26 -4.95 113.70 113.26 1sn6 s SER 79 Ca 0.00 1.86 0.18 0.00 1.31 0.00 0.00 55.95 59.30 1sn6 s SER 79 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1sn6 s SER 79 CO 0.00 -0.21 1.14 1.23 0.41 0.00 0.00 173.24 175.81 1sn6 h GLY 80 N 2.81 0.00 -0.20 3.44 0.00 -1.87 -3.47 103.07 103.78 1sn6 h GLY 80 Ca -0.47 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.65 1sn6 h GLY 80 CO 0.64 0.00 -0.16 1.47 0.00 0.00 0.00 176.54 178.49 1sn6 n LEU 81 N -2.97 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 106.06 1sn6 n LEU 81 Ca -0.03 -1.06 -0.41 0.00 -0.00 0.00 0.00 56.01 54.51 1sn6 n LEU 81 Cb 0.72 0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 44.34 1sn6 n LEU 81 CO 0.41 -0.16 0.62 0.68 -0.00 0.00 0.00 177.39 178.94 1sn6 s VAL 82 N -1.84 4.87 -0.29 1.47 -7.23 -1.26 -4.92 120.40 111.20 1sn6 s VAL 82 Ca 0.04 1.94 -0.42 0.00 -1.81 0.00 0.00 61.98 61.72 1sn6 s VAL 82 Cb 0.00 -4.26 -0.18 0.00 0.56 0.00 0.00 36.38 32.50 1sn6 s VAL 82 CO 0.03 0.20 1.58 -2.65 -0.31 0.00 0.00 175.10 173.94 1sn6 n PRO 83 N 3.75 0.63 0.00 4.82 -0.02 -1.26 -5.17 135.00 137.75 1sn6 n PRO 83 Ca 0.04 0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1sn6 n PRO 83 Cb 0.51 -1.83 0.77 0.00 -0.02 0.00 0.00 33.50 32.93 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02