#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ccq h SER 12 N 0.00 0.00 0.61 1.61 4.64 -1.89 0.26 113.55 118.78 2ccq h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ccq h SER 12 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ccq h SER 12 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2ccq h ALA 13 N 0.99 1.00 -3.17 5.18 0.00 -1.99 -3.40 119.26 117.87 2ccq h ALA 13 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 2ccq h ALA 13 Cb 0.97 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.47 2ccq h ALA 13 CO 0.00 0.00 -0.77 0.45 0.00 0.00 0.00 179.25 178.93 2ccq s SER 14 N -4.82 3.94 0.20 0.00 0.15 0.92 -5.02 113.70 109.06 2ccq s SER 14 Ca 0.01 -0.41 -0.11 0.00 0.70 0.00 0.00 55.95 56.14 2ccq s SER 14 Cb 0.09 -1.63 0.20 0.00 -1.71 0.00 0.00 66.02 62.98 2ccq s SER 14 CO 0.41 0.08 1.78 -0.65 1.20 0.00 0.00 173.24 176.06 2ccq h PRO 15 N 7.36 0.51 -0.57 5.44 0.11 -1.83 0.97 132.00 143.99 2ccq h PRO 15 Ca -0.34 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 2ccq h PRO 15 Cb 1.19 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2ccq h PRO 15 CO 0.58 0.34 0.03 0.00 -0.21 0.00 0.00 178.00 178.74 2ccq h ALA 16 N 1.33 0.77 -0.52 -0.75 0.00 -1.91 -1.81 119.26 116.37 2ccq h ALA 16 Ca 0.27 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2ccq h ALA 16 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ccq h ALA 16 CO -0.20 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 179.87 2ccq h VAL 17 N 0.89 1.26 -0.82 0.00 2.07 -1.70 0.54 116.25 118.48 2ccq h VAL 17 Ca 0.17 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.57 2ccq h VAL 17 Cb 0.51 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2ccq h VAL 17 CO 0.02 0.40 0.54 0.00 0.02 0.00 0.00 177.57 178.56 2ccq h ALA 18 N 1.11 1.45 -0.28 1.67 0.00 -0.51 0.14 119.26 122.84 2ccq h ALA 18 Ca 0.15 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2ccq h ALA 18 Cb 0.56 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ccq h ALA 18 CO 0.03 0.50 -0.30 0.93 0.00 0.00 0.00 179.25 180.41 2ccq h GLU 19 N 1.07 0.70 -0.40 0.00 4.39 -0.76 -2.94 114.58 116.66 2ccq h GLU 19 Ca 0.31 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2ccq h GLU 19 Cb -0.07 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2ccq h GLU 19 CO -0.08 0.99 0.23 1.25 -1.16 0.00 0.00 179.01 180.25 2ccq h LEU 20 N 0.44 0.47 -1.37 1.33 5.85 0.10 -0.73 115.31 121.40 2ccq h LEU 20 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2ccq h LEU 20 Cb 0.87 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2ccq h LEU 20 CO 0.07 0.37 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 2ccq n GLN 22 N -2.48 2.68 -4.08 0.00 1.13 -0.28 -4.82 117.38 109.52 2ccq n GLN 22 Ca -0.00 -2.14 -0.07 0.00 -1.94 0.00 0.00 57.00 52.85 2ccq n GLN 22 Cb 0.15 -2.21 -0.10 0.00 0.11 0.00 0.00 30.24 28.19 2ccq n GLN 22 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2ccq s ASN 23 N 0.90 0.48 0.72 1.08 0.01 -1.19 -4.94 114.94 112.00 2ccq s ASN 23 Ca 0.61 -0.99 -0.13 0.00 -0.71 0.00 0.00 52.86 51.65 2ccq s ASN 23 Cb 0.33 0.20 0.03 0.00 0.41 0.00 0.00 41.25 42.22 2ccq s ASN 23 CO -0.14 -0.60 1.10 0.42 -1.51 0.00 0.00 177.10 176.37 2ccq s THR 24 N -3.89 3.34 0.18 1.60 -4.23 -1.26 -4.76 115.64 106.63 2ccq s THR 24 Ca 0.07 0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 60.89 2ccq s THR 24 Cb 0.08 -3.03 0.13 0.00 1.34 0.00 0.00 72.50 71.01 2ccq s THR 24 CO -0.10 -0.49 1.60 -0.65 -0.54 0.00 0.00 174.62 174.44 2ccq h PRO 25 N -0.58 -0.15 -0.63 3.99 0.11 -1.99 -0.85 132.00 131.90 2ccq h PRO 25 Ca -0.45 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.68 2ccq h PRO 25 Cb 1.24 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 2ccq h PRO 25 CO 0.53 -0.10 0.41 0.93 -0.21 0.00 0.00 178.00 179.56 2ccq h GLU 26 N -0.16 0.81 -0.51 1.05 3.07 -1.99 0.27 114.58 117.13 2ccq h GLU 26 Ca 0.23 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.92 2ccq h GLU 26 Cb 0.53 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 2ccq h GLU 26 CO -0.63 0.54 -0.15 1.15 -1.40 0.00 0.00 179.01 178.52 2ccq h THR 27 N 0.84 1.27 -0.27 1.13 2.02 -1.87 -1.00 112.91 115.02 2ccq h THR 27 Ca 0.24 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.09 2ccq h THR 27 Cb -0.07 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2ccq h THR 27 CO -0.06 0.46 0.11 0.15 0.37 0.00 0.00 175.52 176.55 2ccq h PHE 28 N 0.87 0.41 -0.77 3.16 3.57 -0.75 -0.99 116.94 122.45 2ccq h PHE 28 Ca 0.13 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2ccq h PHE 28 Cb 0.72 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2ccq h PHE 28 CO 0.05 0.41 0.27 -0.07 -2.23 0.00 0.00 178.31 176.74 2ccq h LEU 29 N 0.30 1.09 -0.14 0.59 3.38 -0.83 0.59 115.31 120.29 2ccq h LEU 29 Ca 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2ccq h LEU 29 Cb 0.17 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2ccq h LEU 29 CO -0.01 0.99 -0.00 -0.08 0.09 0.00 0.00 178.44 179.43 2ccq h GLU 30 N 1.14 0.25 -0.29 1.13 4.81 -1.01 -1.30 114.58 119.30 2ccq h GLU 30 Ca 0.25 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2ccq h GLU 30 Cb 0.27 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2ccq h GLU 30 CO -0.01 0.48 -0.09 0.00 -0.73 0.00 0.00 179.01 178.66 2ccq h ALA 31 N 0.76 0.40 -0.56 2.92 0.00 -1.10 -2.94 119.26 118.73 2ccq h ALA 31 Ca 0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2ccq h ALA 31 Cb 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2ccq h ALA 31 CO 0.01 0.23 0.17 0.66 0.00 0.00 0.00 179.25 180.32 2ccq h SER 32 N 0.32 0.77 -0.44 0.00 4.64 -0.89 -0.64 113.55 117.31 2ccq h SER 32 Ca 0.07 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2ccq h SER 32 Cb 0.57 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 2ccq h SER 32 CO 0.03 0.73 0.28 0.50 -0.87 0.00 0.00 176.83 177.50 2ccq h LYS 33 N 0.81 0.59 -0.54 4.77 3.64 -1.17 -0.09 116.57 124.59 2ccq h LYS 33 Ca 0.18 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2ccq h LYS 33 Cb 0.24 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2ccq h LYS 33 CO -0.01 0.42 0.05 1.25 -2.27 0.00 0.00 179.45 178.89 2ccq h LEU 34 N 0.59 0.90 -0.71 5.20 5.85 -1.30 -1.50 115.31 124.34 2ccq h LEU 34 Ca 0.16 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2ccq h LEU 34 Cb -0.03 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 2ccq h LEU 34 CO -0.03 0.96 0.47 -0.07 -0.34 0.00 0.00 178.44 179.43 2ccq h LEU 35 N 0.81 0.82 -0.98 2.25 3.38 -0.73 -1.18 115.31 119.68 2ccq h LEU 35 Ca 0.16 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2ccq h LEU 35 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2ccq h LEU 35 CO 0.02 0.59 -0.04 -0.07 0.09 0.00 0.00 178.44 179.03 2ccq h LEU 36 N 0.96 0.67 -0.38 1.67 3.38 -0.82 -2.07 115.31 118.72 2ccq h LEU 36 Ca 0.26 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2ccq h LEU 36 Cb -0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2ccq h LEU 36 CO -0.06 0.77 0.13 0.74 0.09 0.00 0.00 178.44 180.11 2ccq h THR 37 N 0.65 1.21 -0.53 0.22 2.02 -0.55 0.11 112.91 116.03 2ccq h THR 37 Ca 0.12 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2ccq h THR 37 Cb 0.47 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 2ccq h THR 37 CO 0.02 0.23 0.30 1.88 0.37 0.00 0.00 175.52 178.33 2ccq h TYR 38 N 0.47 0.72 -0.15 3.16 0.05 -1.02 -1.02 116.97 119.18 2ccq h TYR 38 Ca 0.13 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2ccq h TYR 38 Cb 0.23 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2ccq h TYR 38 CO 0.01 0.52 0.02 0.00 -1.05 0.00 0.00 178.16 177.65 2ccq h ALA 39 N 1.14 0.20 -0.36 3.88 0.00 -1.21 -3.09 119.26 119.82 2ccq h ALA 39 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ccq h ALA 39 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ccq h ALA 39 CO -0.03 -0.13 0.19 -0.44 0.00 0.00 0.00 179.25 178.84 2ccq h ASP 40 N 0.02 0.43 -0.60 0.00 3.32 -0.61 -1.21 116.42 117.77 2ccq h ASP 40 Ca 0.04 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2ccq h ASP 40 Cb 0.32 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2ccq h ASP 40 CO 0.00 0.36 0.20 0.78 -1.72 0.00 0.00 179.24 178.86 2ccq h ASN 41 N 0.49 0.87 -0.29 6.45 2.35 -1.11 0.67 115.58 125.02 2ccq h ASN 41 Ca 0.13 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.56 2ccq h ASN 41 Cb 0.03 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 2ccq h ASN 41 CO -0.02 0.84 -0.27 0.40 -1.65 0.00 0.00 177.43 176.73 2ccq h ILE 42 N 0.85 1.30 0.00 2.81 2.04 -1.40 -2.10 117.51 121.02 2ccq h ILE 42 Ca 0.20 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 2ccq h ILE 42 Cb 0.27 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2ccq h ILE 42 CO -0.01 0.46 -0.23 -0.07 0.00 0.00 0.00 178.15 178.30 2ccq h LEU 43 N 0.44 0.00 -0.00 1.44 3.38 -1.03 0.93 115.31 120.46 2ccq h LEU 43 Ca 0.05 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 2ccq h LEU 43 Cb 0.84 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.60 2ccq h LEU 43 CO 0.07 0.23 -1.09 -0.09 0.09 0.00 0.00 178.44 177.64 2ccq h ARG 44 N 0.00 0.56 -2.33 1.13 2.43 -0.73 -3.40 114.38 112.04 2ccq h ARG 44 Ca -0.00 -0.67 -0.57 0.00 -0.81 0.00 0.00 59.98 57.93 2ccq h ARG 44 Cb 0.43 0.21 -0.37 0.00 -0.42 0.00 0.00 29.97 29.82 2ccq h ARG 44 CO 0.03 1.27 -0.94 -0.80 -1.51 0.00 0.00 179.97 178.02 2ccq s ASN 45 N -7.27 1.49 0.00 -3.80 -0.87 -0.80 -4.99 114.94 98.70 2ccq s ASN 45 Ca -0.08 -2.88 0.12 0.00 -1.57 0.00 0.00 52.86 48.45 2ccq s ASN 45 Cb 0.07 -0.33 0.62 0.00 -0.02 0.00 0.00 41.25 41.59 2ccq s ASN 45 CO 0.91 -0.19 1.31 -0.81 -2.57 0.00 0.00 177.10 175.76 2ccq n PRO 46 N 3.03 0.16 -0.22 -0.60 -0.04 0.29 -2.79 135.00 134.83 2ccq n PRO 46 Ca 0.27 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.98 2ccq n PRO 46 Cb 0.47 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 2ccq n PRO 46 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ccq n ASN 47 N -1.30 3.20 -4.39 3.54 5.03 -1.26 -4.90 115.26 115.18 2ccq n ASN 47 Ca 0.06 -1.98 -0.40 0.00 0.87 0.00 0.00 54.58 53.13 2ccq n ASN 47 Cb 0.10 -0.30 -0.11 0.00 -1.02 0.00 0.00 39.78 38.45 2ccq n ASN 47 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2ccq s ASP 48 N -1.02 5.63 0.60 6.41 -1.08 -1.12 -4.97 116.67 121.12 2ccq s ASP 48 Ca 0.31 -0.83 0.35 0.00 -0.52 0.00 0.00 52.55 51.86 2ccq s ASP 48 Cb 0.16 -2.00 1.90 0.00 -1.46 0.00 0.00 42.92 41.52 2ccq s ASP 48 CO 0.21 -0.31 2.23 1.05 0.52 0.00 0.00 175.17 178.87 2ccq h GLU 49 N 8.39 0.00 -0.93 4.34 4.11 -1.90 -2.81 114.58 125.78 2ccq h GLU 49 Ca -0.28 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.23 2ccq h GLU 49 Cb 1.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 2ccq h GLU 49 CO 0.64 0.03 0.58 -0.22 0.07 0.00 0.00 179.01 180.12 2ccq h LYS 50 N 0.00 0.98 0.00 1.06 3.64 -1.94 -1.13 116.57 119.19 2ccq h LYS 50 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2ccq h LYS 50 Cb 0.13 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2ccq h LYS 50 CO 0.00 0.65 0.00 0.66 -2.27 0.00 0.00 179.45 178.50 2ccq n TYR 51 N -4.60 0.08 0.22 1.91 0.53 -1.06 -3.36 117.16 110.88 2ccq n TYR 51 Ca 0.15 0.03 0.09 0.00 -1.02 0.00 0.00 57.90 57.15 2ccq n TYR 51 Cb 0.23 -0.54 0.25 0.00 -1.03 0.00 0.00 39.34 38.26 2ccq n TYR 51 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 2ccq n ARG 52 N -1.57 2.31 -3.98 -0.72 1.74 -0.43 -4.70 116.66 109.30 2ccq n ARG 52 Ca 0.06 -2.03 -0.17 0.00 -0.77 0.00 0.00 57.85 54.94 2ccq n ARG 52 Cb 0.32 -1.44 -0.16 0.00 -1.02 0.00 0.00 32.46 30.16 2ccq n ARG 52 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ccq s SER 53 N -1.03 0.49 -0.17 0.55 1.04 -1.21 -0.78 113.70 112.59 2ccq s SER 53 Ca 0.38 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2ccq s SER 53 Cb 0.20 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.11 2ccq s SER 53 CO 0.26 -0.07 -0.14 -0.63 0.98 0.00 0.00 173.24 173.64 2ccq s ILE 54 N 0.86 1.69 0.03 -1.02 1.01 -0.30 -4.96 121.20 118.52 2ccq s ILE 54 Ca -0.09 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 2ccq s ILE 54 Cb -0.12 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 2ccq s ILE 54 CO -0.01 0.37 1.24 -0.60 0.00 0.00 0.00 174.94 175.95 2ccq s ARG 55 N 1.42 4.38 0.47 2.79 3.52 -1.26 -0.66 118.95 129.61 2ccq s ARG 55 Ca 0.03 1.80 0.13 0.00 -0.13 0.00 0.00 55.73 57.56 2ccq s ARG 55 Cb -0.14 -3.42 1.10 0.00 -1.56 0.00 0.00 34.95 30.94 2ccq s ARG 55 CO -0.10 -0.36 2.10 0.82 -0.81 0.00 0.00 175.30 176.95 2ccq h ILE 56 N 4.65 1.03 -0.00 4.11 2.04 -1.39 -1.20 117.51 126.75 2ccq h ILE 56 Ca -0.39 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2ccq h ILE 56 Cb 1.20 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2ccq h ILE 56 CO 0.84 0.04 -0.01 0.61 0.00 0.00 0.00 178.15 179.64 2ccq n GLY 57 N -1.52 -0.86 3.73 5.37 0.00 -1.26 -4.02 105.19 106.63 2ccq n GLY 57 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2ccq n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ccq n ASN 58 N -0.84 3.16 -0.01 1.61 2.85 -0.46 -4.80 115.26 116.78 2ccq n ASN 58 Ca 0.22 1.21 -0.09 0.00 -0.11 0.00 0.00 54.58 55.81 2ccq n ASN 58 Cb 0.17 -1.54 -0.03 0.00 1.24 0.00 0.00 39.78 39.62 2ccq n ASN 58 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2ccq h THR 59 N 2.68 0.48 -0.09 -0.44 1.35 -1.90 -0.12 112.91 114.87 2ccq h THR 59 Ca -0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2ccq h THR 59 Cb 1.27 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2ccq h THR 59 CO 0.63 0.00 0.04 0.00 -0.25 0.00 0.00 175.52 175.94 2ccq h ALA 60 N 0.76 0.12 -0.19 6.62 0.00 -1.96 -2.13 119.26 122.48 2ccq h ALA 60 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ccq h ALA 60 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2ccq h ALA 60 CO -0.29 -0.31 0.11 0.35 0.00 0.00 0.00 179.25 179.11 2ccq h PHE 61 N 0.01 0.24 0.00 0.00 3.04 -1.85 -0.19 116.94 118.19 2ccq h PHE 61 Ca 0.03 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.90 2ccq h PHE 61 Cb 0.14 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2ccq h PHE 61 CO -0.03 0.20 -0.40 0.66 -2.02 0.00 0.00 178.31 176.73 2ccq h SER 62 N 0.22 0.00 0.13 0.41 4.64 -1.01 -1.14 113.55 116.80 2ccq h SER 62 Ca 0.07 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 2ccq h SER 62 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 2ccq h SER 62 CO -0.01 0.40 -1.96 0.35 -0.87 0.00 0.00 176.83 174.74 2ccq n THR 63 N -4.04 0.42 0.10 2.95 -2.24 -0.81 -4.33 114.28 106.34 2ccq n THR 63 Ca -0.02 -0.59 0.05 0.00 -2.27 0.00 0.00 64.05 61.22 2ccq n THR 63 Cb 0.43 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 2ccq n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ccq n ARG 64 N -2.44 1.10 0.00 -0.78 1.74 -0.09 -4.81 116.66 111.38 2ccq n ARG 64 Ca -0.10 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2ccq n ARG 64 Cb 0.71 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 2ccq n ARG 64 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2ccq n LEU 65 N -1.70 0.01 -0.29 0.55 4.77 -0.67 -4.42 117.00 115.24 2ccq n LEU 65 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 2ccq n LEU 65 Cb 0.23 -0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.59 2ccq n LEU 65 CO 0.21 -0.01 1.02 0.25 -1.33 0.00 0.00 177.39 177.52 2ccq h LEU 66 N 0.00 0.25 -1.22 2.23 5.85 -1.44 -0.68 115.31 120.31 2ccq h LEU 66 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2ccq h LEU 66 Cb 0.99 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2ccq h LEU 66 CO 0.00 -0.00 0.00 -0.81 -0.34 0.00 0.00 178.44 177.29 2ccq n PRO 67 N -5.07 1.79 -3.88 5.25 -0.04 -1.26 -4.87 135.00 126.92 2ccq n PRO 67 Ca 0.20 -1.20 -0.36 0.00 -0.04 0.00 0.00 63.50 62.10 2ccq n PRO 67 Cb 0.60 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 2ccq n PRO 67 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ccq s VAL 68 N -1.71 4.57 0.11 0.52 1.01 -0.26 -5.06 120.40 119.58 2ccq s VAL 68 Ca 0.31 -0.10 -0.34 0.00 0.00 0.00 0.00 61.98 61.85 2ccq s VAL 68 Cb 0.16 -3.10 -0.14 0.00 0.00 0.00 0.00 36.38 33.30 2ccq s VAL 68 CO 0.24 0.38 1.61 -1.14 0.00 0.00 0.00 175.10 176.19 2ccq n ARG 69 N 4.32 2.05 0.00 2.72 0.63 -1.26 -2.11 116.66 123.01 2ccq n ARG 69 Ca -0.16 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2ccq n ARG 69 Cb 0.52 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.92 2ccq n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2ccq n GLY 70 N 3.50 3.05 0.51 5.14 0.00 -1.26 -3.87 105.19 112.27 2ccq n GLY 70 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2ccq n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ccq h ALA 71 N 0.00 -1.27 -0.34 4.61 0.00 -1.68 -2.15 119.26 118.43 2ccq h ALA 71 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2ccq h ALA 71 Cb 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2ccq h ALA 71 CO 0.00 -1.22 -0.04 0.28 0.00 0.00 0.00 179.25 178.27 2ccq h VAL 72 N -1.24 1.21 -0.27 0.00 2.07 -1.76 -2.03 116.25 114.23 2ccq h VAL 72 Ca -0.12 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.56 2ccq h VAL 72 Cb 0.98 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2ccq h VAL 72 CO 0.16 0.30 0.18 -0.33 0.02 0.00 0.00 177.57 177.90 2ccq h GLU 73 N 0.52 0.16 -0.45 1.57 3.07 -1.89 -0.45 114.58 117.11 2ccq h GLU 73 Ca 0.11 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.85 2ccq h GLU 73 Cb 0.40 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2ccq h GLU 73 CO 0.02 0.10 -0.16 0.00 -1.40 0.00 0.00 179.01 177.57 2ccq h LEU 75 N 0.75 0.79 -0.49 0.00 3.38 -1.08 -0.94 115.31 117.73 2ccq h LEU 75 Ca 0.11 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2ccq h LEU 75 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2ccq h LEU 75 CO 0.05 0.83 -0.07 -0.26 0.09 0.00 0.00 178.44 179.07 2ccq h PHE 76 N 0.79 1.02 -0.06 1.13 0.04 -0.98 -0.69 116.94 118.18 2ccq h PHE 76 Ca 0.16 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 2ccq h PHE 76 Cb 0.40 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 2ccq h PHE 76 CO 0.02 0.97 -0.19 0.93 -0.60 0.00 0.00 178.31 179.44 2ccq h GLU 77 N 0.77 0.10 -0.03 1.51 5.08 -0.88 -1.79 114.58 119.34 2ccq h GLU 77 Ca 0.13 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2ccq h GLU 77 Cb 0.62 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2ccq h GLU 77 CO 0.04 0.29 -0.37 0.52 -1.00 0.00 0.00 179.01 178.49 2ccq h MET 78 N 0.09 0.06 0.00 2.33 2.86 -0.71 -3.46 114.93 116.11 2ccq h MET 78 Ca 0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ccq h MET 78 Cb 0.40 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2ccq h MET 78 CO 0.03 0.43 0.00 0.41 1.06 0.00 0.00 176.91 178.83 2ccq n GLY 79 N -0.41 0.24 3.77 8.32 0.00 -0.67 -3.56 105.19 112.89 2ccq n GLY 79 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2ccq n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ccq s PHE 80 N -0.55 2.67 -0.01 1.61 0.40 -0.31 -4.46 117.98 117.32 2ccq s PHE 80 Ca 0.00 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 57.93 2ccq s PHE 80 Cb 0.00 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.22 2ccq s PHE 80 CO 0.00 -1.59 -0.18 -1.21 0.70 0.00 0.00 175.22 172.94 2ccq s GLU 81 N -3.26 1.48 -0.07 0.44 2.02 0.69 -4.28 118.70 115.72 2ccq s GLU 81 Ca 0.73 -0.65 -0.25 0.00 0.02 0.00 0.00 54.97 54.82 2ccq s GLU 81 Cb -0.24 -1.43 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 2ccq s GLU 81 CO 0.27 0.39 0.76 -2.00 0.02 0.00 0.00 175.26 174.70 2ccq s GLU 82 N -0.43 4.43 0.02 1.61 2.12 -1.26 -0.21 118.70 124.98 2ccq s GLU 82 Ca 0.07 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.37 2ccq s GLU 82 Cb -0.07 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2ccq s GLU 82 CO -0.01 -0.01 0.01 0.41 -0.54 0.00 0.00 175.26 175.12 2ccq n GLY 83 N 3.14 3.40 0.28 -1.50 0.00 0.72 -4.98 105.19 106.24 2ccq n GLY 83 Ca 0.01 -2.19 -0.05 0.00 0.00 0.00 0.00 46.02 43.79 2ccq n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ccq h GLU 84 N 0.00 0.75 0.00 1.61 5.08 -2.03 -3.37 114.58 116.63 2ccq h GLU 84 Ca -0.01 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2ccq h GLU 84 Cb 0.04 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2ccq h GLU 84 CO 0.02 0.80 -0.16 0.25 -1.00 0.00 0.00 179.01 178.91 2ccq n THR 85 N -4.20 0.00 -4.08 1.13 -2.24 -1.26 -5.01 114.28 98.62 2ccq n THR 85 Ca 0.02 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 2ccq n THR 85 Cb 0.32 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 2ccq n THR 85 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2ccq s HIS 86 N -0.77 0.52 -0.20 4.78 3.76 -1.26 -0.94 115.29 121.18 2ccq s HIS 86 Ca 0.00 -0.97 -0.10 0.00 -0.15 0.00 0.00 55.06 53.84 2ccq s HIS 86 Cb 0.00 -0.37 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 2ccq s HIS 86 CO 0.00 -0.33 0.13 -0.51 -0.85 0.00 0.00 174.74 173.18 2ccq s LEU 87 N -2.70 4.18 -0.06 0.89 1.02 0.16 -0.20 118.68 121.98 2ccq s LEU 87 Ca 0.04 0.22 0.06 0.00 0.02 0.00 0.00 54.13 54.47 2ccq s LEU 87 Cb 0.05 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 2ccq s LEU 87 CO -0.08 0.18 -0.25 -0.63 0.02 0.00 0.00 176.35 175.59 2ccq s ILE 88 N 0.33 2.05 -0.49 -0.59 -1.09 0.71 -1.15 121.20 120.98 2ccq s ILE 88 Ca 0.08 -1.07 -0.13 0.00 -2.23 0.00 0.00 60.65 57.29 2ccq s ILE 88 Cb -0.11 -1.73 0.11 0.00 -1.58 0.00 0.00 42.46 39.14 2ccq s ILE 88 CO -0.02 0.57 0.41 0.12 -1.23 0.00 0.00 174.94 174.79 2ccq s PHE 89 N -0.19 3.30 0.65 3.97 5.36 0.04 -0.22 117.98 130.89 2ccq s PHE 89 Ca -0.03 -1.36 -0.17 0.00 -0.96 0.00 0.00 56.93 54.42 2ccq s PHE 89 Cb -0.14 -3.46 -0.04 0.00 -0.34 0.00 0.00 43.02 39.04 2ccq s PHE 89 CO 0.03 -0.93 0.75 -2.30 -1.46 0.00 0.00 175.22 171.30 2ccq n PRO 90 N 5.12 0.56 0.25 10.12 -0.02 -1.26 -4.85 135.00 144.92 2ccq n PRO 90 Ca -0.12 0.23 0.10 0.00 -2.02 0.00 0.00 63.50 61.69 2ccq n PRO 90 Cb 0.41 -1.98 0.64 0.00 -0.02 0.00 0.00 33.50 32.55 2ccq n PRO 90 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ccq h LYS 91 N 0.04 0.00 0.00 -0.52 1.57 -1.98 -2.12 116.57 113.56 2ccq h LYS 91 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2ccq h LYS 91 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2ccq h LYS 91 CO 0.47 0.15 -0.10 1.57 -0.57 0.00 0.00 179.45 180.97 2ccq h LYS 92 N 0.00 0.00 -6.78 3.15 2.10 -2.02 -3.47 116.57 109.55 2ccq h LYS 92 Ca -0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 2ccq h LYS 92 Cb 0.33 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 31.77 2ccq h LYS 92 CO 0.02 0.00 0.64 0.00 -2.00 0.00 0.00 179.45 178.11 2ccq n ALA 93 N -1.96 1.73 -2.19 0.07 0.00 -0.80 -4.91 120.51 112.45 2ccq n ALA 93 Ca 0.04 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 2ccq n ALA 93 Cb 0.48 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 2ccq n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ccq s SER 94 N -0.06 6.81 0.36 0.00 0.15 -1.26 -4.91 113.70 114.79 2ccq s SER 94 Ca 0.58 2.10 0.18 0.00 0.70 0.00 0.00 55.95 59.50 2ccq s SER 94 Cb -0.55 -2.55 0.62 0.00 -1.71 0.00 0.00 66.02 61.83 2ccq s SER 94 CO 0.59 -0.78 1.71 -0.37 1.20 0.00 0.00 173.24 175.58 2ccq h VAL 95 N 5.16 0.93 -0.52 4.45 -1.51 -1.93 -2.55 116.25 120.28 2ccq h VAL 95 Ca -0.37 -1.61 -0.06 0.00 -1.23 0.00 0.00 66.70 63.43 2ccq h VAL 95 Cb 1.17 1.98 -0.02 0.00 -2.13 0.00 0.00 31.29 32.28 2ccq h VAL 95 CO 0.93 0.40 0.10 -0.33 -1.23 0.00 0.00 177.57 177.43 2ccq h GLU 96 N 0.00 0.84 -0.66 5.19 3.07 -1.97 -1.07 114.58 119.98 2ccq h GLU 96 Ca -0.00 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.36 58.58 2ccq h GLU 96 Cb 0.94 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.72 2ccq h GLU 96 CO 0.05 0.82 0.16 0.37 -1.40 0.00 0.00 179.01 179.02 2ccq h GLN 97 N 0.73 1.04 -0.42 2.33 5.75 -1.83 -0.65 115.11 122.05 2ccq h GLN 97 Ca 0.16 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2ccq h GLN 97 Cb 0.37 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2ccq h GLN 97 CO 0.01 0.92 0.27 1.25 -2.65 0.00 0.00 178.83 178.62 2ccq h LEU 98 N 0.99 0.45 -0.86 -2.39 5.85 -1.10 -2.34 115.31 115.90 2ccq h LEU 98 Ca 0.21 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.83 2ccq h LEU 98 Cb 0.34 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2ccq h LEU 98 CO 0.00 0.32 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.69 2ccq h GLN 99 N 0.54 0.71 -0.11 1.25 5.75 -0.87 -1.59 115.11 120.79 2ccq h GLN 99 Ca 0.16 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2ccq h GLN 99 Cb -0.03 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 2ccq h GLN 99 CO -0.05 0.81 0.05 -0.22 -2.65 0.00 0.00 178.83 176.77 2ccq h LYS 100 N 0.64 0.11 -0.20 1.69 3.64 -0.69 -0.92 116.57 120.85 2ccq h LYS 100 Ca 0.11 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 2ccq h LYS 100 Cb 0.58 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2ccq h LYS 100 CO 0.04 0.07 -0.47 0.82 -2.27 0.00 0.00 179.45 177.65 2ccq h ILE 101 N 0.12 1.31 -0.40 2.00 1.08 -1.37 -2.24 117.51 118.02 2ccq h ILE 101 Ca 0.05 -1.67 0.04 0.00 -0.39 0.00 0.00 64.86 62.88 2ccq h ILE 101 Cb 0.01 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 2ccq h ILE 101 CO -0.03 0.52 0.17 -0.09 -0.69 0.00 0.00 178.15 178.02 2ccq h ARG 102 N 0.40 0.34 -0.57 2.37 1.12 -0.97 -1.62 114.38 115.45 2ccq h ARG 102 Ca 0.02 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2ccq h ARG 102 Cb 0.97 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.83 2ccq h ARG 102 CO 0.09 0.22 0.08 -0.44 -3.11 0.00 0.00 179.97 176.81 2ccq h ASP 103 N 0.35 0.92 0.26 -3.80 3.32 -1.00 -1.62 116.42 114.85 2ccq h ASP 103 Ca 0.18 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2ccq h ASP 103 Cb 0.13 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2ccq h ASP 103 CO -0.16 0.96 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.12 2ccq h LEU 104 N 0.85 0.00 0.03 1.55 3.38 -0.94 -1.91 115.31 118.27 2ccq h LEU 104 Ca 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2ccq h LEU 104 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2ccq h LEU 104 CO 0.01 0.13 -0.19 0.40 0.09 0.00 0.00 178.44 178.88 2ccq h ILE 105 N 0.00 1.71 -0.88 1.22 2.04 -1.06 0.57 117.51 121.11 2ccq h ILE 105 Ca -0.00 -2.34 0.11 0.00 1.00 0.00 0.00 64.86 63.63 2ccq h ILE 105 Cb 0.30 3.29 -0.08 0.00 -0.74 0.00 0.00 36.82 39.59 2ccq h ILE 105 CO 0.02 0.62 0.52 0.00 0.00 0.00 0.00 178.15 179.31 2ccq h ALA 106 N 0.05 1.28 0.00 1.87 0.00 -0.91 -1.57 119.26 119.98 2ccq h ALA 106 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ccq h ALA 106 Cb 1.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ccq h ALA 106 CO 0.04 0.13 0.00 0.44 0.00 0.00 0.00 179.25 179.85 2ccq n ILE 107 N -4.71 0.94 1.02 0.00 -5.35 -0.75 -2.46 119.36 108.04 2ccq n ILE 107 Ca 0.15 0.23 0.11 0.00 -0.27 0.00 0.00 62.75 62.98 2ccq n ILE 107 Cb 0.31 -1.01 0.03 0.00 -1.74 0.00 0.00 39.64 37.23 2ccq n ILE 107 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2ccq n GLU 108 N -1.42 1.26 0.00 6.28 -0.58 -0.59 -4.95 120.64 120.64 2ccq n GLU 108 Ca 0.04 -1.03 0.14 0.00 -0.42 0.00 0.00 57.16 55.89 2ccq n GLU 108 Cb 0.14 -1.48 0.83 0.00 -0.57 0.00 0.00 31.44 30.35 2ccq n GLU 108 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19