#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpl s ALA 13 N 0.00 3.12 -0.26 -0.43 0.00 -1.26 -5.09 121.76 117.84 2hpl s ALA 13 Ca 0.00 -3.20 -0.28 0.00 0.00 0.00 0.00 51.96 48.48 2hpl s ALA 13 Cb 0.00 -2.10 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2hpl s ALA 13 CO 0.00 -2.04 0.98 0.45 0.00 0.00 0.00 175.76 175.15 2hpl s SER 14 N -0.30 6.96 0.26 0.00 0.15 -1.26 -4.96 113.70 114.55 2hpl s SER 14 Ca 0.18 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 57.95 2hpl s SER 14 Cb -0.23 -2.51 0.34 0.00 -1.71 0.00 0.00 66.02 61.91 2hpl s SER 14 CO -0.02 -0.68 1.90 -0.65 1.20 0.00 0.00 173.24 174.99 2hpl h PRO 15 N 7.71 1.21 -0.42 5.44 0.11 -2.00 -2.36 132.00 141.69 2hpl h PRO 15 Ca -0.21 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 2hpl h PRO 15 Cb 1.07 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 2hpl h PRO 15 CO 0.96 0.80 0.07 0.00 -0.21 0.00 0.00 178.00 179.62 2hpl h ALA 16 N 1.41 0.56 -0.39 -0.75 0.00 -1.89 -1.06 119.26 117.14 2hpl h ALA 16 Ca 0.40 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2hpl h ALA 16 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2hpl h ALA 16 CO -0.13 0.27 -0.00 0.28 0.00 0.00 0.00 179.25 179.66 2hpl h VAL 17 N 0.55 1.26 -0.74 0.00 2.07 -1.84 0.44 116.25 117.99 2hpl h VAL 17 Ca 0.13 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.72 2hpl h VAL 17 Cb 0.37 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2hpl h VAL 17 CO 0.01 0.34 0.42 0.00 0.02 0.00 0.00 177.57 178.35 2hpl h ALA 18 N 0.88 1.02 -0.31 1.67 0.00 -1.27 -1.36 119.26 119.89 2hpl h ALA 18 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2hpl h ALA 18 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2hpl h ALA 18 CO 0.02 0.08 0.07 1.49 0.00 0.00 0.00 179.25 180.91 2hpl h GLU 19 N 0.74 0.50 -0.98 0.00 4.57 -0.93 -2.82 114.58 115.66 2hpl h GLU 19 Ca 0.34 -0.12 0.17 0.00 -1.18 0.00 0.00 59.36 58.57 2hpl h GLU 19 Cb 0.26 -0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 28.68 2hpl h GLU 19 CO -0.21 0.57 0.58 1.25 -1.18 0.00 0.00 179.01 180.03 2hpl h LEU 20 N 0.35 0.76 -0.33 1.64 5.85 -0.35 -1.56 115.31 121.66 2hpl h LEU 20 Ca 0.10 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2hpl h LEU 20 Cb 0.30 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2hpl h LEU 20 CO 0.00 0.30 0.00 0.00 -0.34 0.00 0.00 178.44 178.40 2hpl n GLN 22 N -1.89 0.09 -1.16 0.00 1.13 -0.59 -4.87 117.38 110.11 2hpl n GLN 22 Ca 0.03 0.10 -0.31 0.00 -1.94 0.00 0.00 57.00 54.89 2hpl n GLN 22 Cb 0.22 -1.61 0.12 0.00 0.11 0.00 0.00 30.24 29.07 2hpl n GLN 22 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2hpl s ASN 23 N -3.54 3.94 0.79 1.08 0.01 -1.08 -5.00 114.94 111.13 2hpl s ASN 23 Ca 0.12 1.77 -0.14 0.00 -0.71 0.00 0.00 52.86 53.90 2hpl s ASN 23 Cb 0.16 -2.43 0.07 0.00 0.41 0.00 0.00 41.25 39.46 2hpl s ASN 23 CO 0.53 -2.39 1.21 0.42 -1.51 0.00 0.00 177.10 175.36 2hpl s THR 24 N -2.87 2.07 0.23 1.60 -4.23 -1.26 -4.62 115.64 106.56 2hpl s THR 24 Ca 0.63 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 61.08 2hpl s THR 24 Cb -0.18 -2.51 0.21 0.00 1.34 0.00 0.00 72.50 71.36 2hpl s THR 24 CO 0.57 -0.02 1.67 -0.65 -0.54 0.00 0.00 174.62 175.65 2hpl h PRO 25 N -0.72 0.19 0.19 3.99 0.11 -1.94 0.18 132.00 134.00 2hpl h PRO 25 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hpl h PRO 25 Cb 1.30 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2hpl h PRO 25 CO 0.47 0.12 -0.16 1.49 -0.21 0.00 0.00 178.00 179.72 2hpl h GLU 26 N 0.19 -0.35 -0.46 1.05 4.81 -2.00 -1.04 114.58 116.78 2hpl h GLU 26 Ca 0.36 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.51 2hpl h GLU 26 Cb 0.60 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2hpl h GLU 26 CO -0.51 -0.23 -0.13 1.15 -0.73 0.00 0.00 179.01 178.56 2hpl h THR 27 N -0.36 1.27 -0.32 0.32 2.02 -1.85 -2.09 112.91 111.91 2hpl h THR 27 Ca -0.01 -1.25 0.07 0.00 0.77 0.00 0.00 66.41 65.99 2hpl h THR 27 Cb 0.33 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 2hpl h THR 27 CO -0.02 0.43 -0.19 0.15 0.37 0.00 0.00 175.52 176.26 2hpl h PHE 28 N 0.73 -0.48 -0.66 3.16 3.57 -0.53 -0.78 116.94 121.95 2hpl h PHE 28 Ca 0.11 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.68 2hpl h PHE 28 Cb 0.68 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2hpl h PHE 28 CO 0.05 -0.27 0.41 -0.07 -2.23 0.00 0.00 178.31 176.21 2hpl h LEU 29 N -0.15 0.68 0.34 0.59 3.38 -0.93 0.19 115.31 119.41 2hpl h LEU 29 Ca 0.16 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2hpl h LEU 29 Cb 0.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2hpl h LEU 29 CO -0.41 0.47 -0.16 -0.08 0.09 0.00 0.00 178.44 178.35 2hpl h GLU 30 N 0.81 -0.44 -0.19 1.13 4.81 -0.99 -1.13 114.58 118.58 2hpl h GLU 30 Ca 0.26 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2hpl h GLU 30 Cb 0.01 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2hpl h GLU 30 CO -0.10 -0.19 0.03 0.00 -0.73 0.00 0.00 179.01 178.02 2hpl h ALA 31 N -0.04 0.26 -0.49 2.92 0.00 -1.10 -2.96 119.26 117.84 2hpl h ALA 31 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2hpl h ALA 31 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2hpl h ALA 31 CO 0.08 -0.07 0.32 0.66 0.00 0.00 0.00 179.25 180.23 2hpl h SER 32 N 0.11 0.57 -0.14 0.00 4.64 -0.96 -1.34 113.55 116.43 2hpl h SER 32 Ca 0.06 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2hpl h SER 32 Cb 0.32 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2hpl h SER 32 CO 0.00 0.42 0.09 0.50 -0.87 0.00 0.00 176.83 176.97 2hpl h LYS 33 N 0.67 0.19 -0.55 4.77 3.64 -1.13 -1.02 116.57 123.14 2hpl h LYS 33 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2hpl h LYS 33 Cb -0.06 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2hpl h LYS 33 CO -0.04 0.17 0.36 -0.07 -2.27 0.00 0.00 179.45 177.60 2hpl h LEU 34 N 0.16 0.64 -0.82 5.20 3.38 -1.30 -2.11 115.31 120.47 2hpl h LEU 34 Ca 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2hpl h LEU 34 Cb 0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2hpl h LEU 34 CO -0.01 0.48 0.51 -0.07 0.09 0.00 0.00 178.44 179.44 2hpl h LEU 35 N 0.75 0.98 -0.83 1.67 3.38 -1.00 -0.65 115.31 119.61 2hpl h LEU 35 Ca 0.20 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2hpl h LEU 35 Cb -0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2hpl h LEU 35 CO -0.04 0.74 0.32 -0.07 0.09 0.00 0.00 178.44 179.48 2hpl h LEU 36 N 1.12 1.09 -0.47 1.67 3.38 -0.91 -1.99 115.31 119.21 2hpl h LEU 36 Ca 0.30 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2hpl h LEU 36 Cb -0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2hpl h LEU 36 CO -0.06 0.96 0.05 0.74 0.09 0.00 0.00 178.44 180.23 2hpl h THR 37 N 1.16 1.25 -0.75 0.22 2.02 -0.69 0.95 112.91 117.07 2hpl h THR 37 Ca 0.27 -0.96 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 2hpl h THR 37 Cb 0.21 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2hpl h THR 37 CO -0.02 0.34 0.26 1.88 0.37 0.00 0.00 175.52 178.35 2hpl h TYR 38 N 0.66 1.17 0.08 3.16 0.05 -0.96 -1.25 116.97 119.88 2hpl h TYR 38 Ca 0.14 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 2hpl h TYR 38 Cb 0.43 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2hpl h TYR 38 CO 0.03 0.91 -0.04 0.00 -1.05 0.00 0.00 178.16 178.02 2hpl h ALA 39 N 1.13 -0.10 -0.72 3.88 0.00 -1.12 -3.26 119.26 119.07 2hpl h ALA 39 Ca 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2hpl h ALA 39 Cb 0.26 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2hpl h ALA 39 CO -0.01 -0.37 0.26 -0.44 0.00 0.00 0.00 179.25 178.69 2hpl h ASP 40 N -0.48 0.99 -0.94 0.00 3.32 -0.70 -0.75 116.42 117.87 2hpl h ASP 40 Ca -0.01 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.91 2hpl h ASP 40 Cb 0.41 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2hpl h ASP 40 CO 0.02 0.90 0.62 0.78 -1.72 0.00 0.00 179.24 179.83 2hpl h ASN 41 N 1.05 1.03 -0.06 6.45 2.35 -1.33 -0.29 115.58 124.77 2hpl h ASN 41 Ca 0.24 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2hpl h ASN 41 Cb 0.23 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 2hpl h ASN 41 CO -0.02 0.71 -0.06 0.40 -1.65 0.00 0.00 177.43 176.81 2hpl h ILE 42 N 1.19 1.38 -0.81 2.81 2.04 -1.47 -2.56 117.51 120.09 2hpl h ILE 42 Ca 0.37 -1.23 0.06 0.00 1.00 0.00 0.00 64.86 65.06 2hpl h ILE 42 Cb -0.02 2.06 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2hpl h ILE 42 CO -0.11 0.34 0.53 -0.07 0.00 0.00 0.00 178.15 178.84 2hpl h LEU 43 N -0.30 0.79 -0.25 1.44 3.38 -0.84 -2.23 115.31 117.30 2hpl h LEU 43 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hpl h LEU 43 Cb 0.57 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2hpl h LEU 43 CO 0.02 0.51 -0.78 0.54 0.09 0.00 0.00 178.44 178.82 2hpl n ARG 44 N -4.48 0.32 -3.18 1.13 1.74 -0.15 -4.38 116.66 107.66 2hpl n ARG 44 Ca 0.12 -0.25 -0.19 0.00 -0.77 0.00 0.00 57.85 56.76 2hpl n ARG 44 Cb 0.20 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2hpl n ARG 44 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2hpl n ASN 45 N -1.12 0.98 0.29 0.55 3.02 -0.96 -4.99 115.26 113.03 2hpl n ASN 45 Ca 0.06 -3.03 0.15 0.00 -0.03 0.00 0.00 54.58 51.73 2hpl n ASN 45 Cb 0.36 -0.62 0.89 0.00 -0.61 0.00 0.00 39.78 39.81 2hpl n ASN 45 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2hpl h PRO 46 N 3.03 0.00 -0.01 3.52 0.13 -1.61 -1.01 132.00 136.05 2hpl h PRO 46 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2hpl h PRO 46 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2hpl h PRO 46 CO 0.51 0.04 -0.06 0.43 -0.23 0.00 0.00 178.00 178.70 2hpl n SER 47 N -3.66 1.10 -4.36 1.44 7.64 -1.26 -4.78 113.62 109.74 2hpl n SER 47 Ca -0.03 -1.22 -0.45 0.00 1.01 0.00 0.00 58.87 58.18 2hpl n SER 47 Cb 0.14 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 2hpl n SER 47 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hpl s ASP 48 N -2.14 6.19 0.66 6.43 -1.08 -0.38 -4.92 116.67 121.41 2hpl s ASP 48 Ca 0.36 -1.51 0.42 0.00 -0.52 0.00 0.00 52.55 51.30 2hpl s ASP 48 Cb 0.21 -2.27 2.33 0.00 -1.46 0.00 0.00 42.92 41.73 2hpl s ASP 48 CO 0.39 -1.01 2.35 1.05 0.52 0.00 0.00 175.17 178.47 2hpl h GLU 49 N 9.07 0.00 0.00 4.34 9.09 -1.86 -2.73 114.58 132.49 2hpl h GLU 49 Ca -0.29 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.09 2hpl h GLU 49 Cb 1.09 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.19 2hpl h GLU 49 CO 1.07 0.00 -0.11 1.57 0.05 0.00 0.00 179.01 181.58 2hpl h LYS 50 N 0.00 0.00 -0.00 1.06 2.10 -1.95 -1.88 116.57 115.89 2hpl h LYS 50 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hpl h LYS 50 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2hpl h LYS 50 CO -0.00 0.11 -0.11 0.66 -2.00 0.00 0.00 179.45 178.12 2hpl n TYR 51 N -3.42 0.00 1.03 0.07 4.01 -1.03 -3.82 117.16 114.00 2hpl n TYR 51 Ca -0.01 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.84 2hpl n TYR 51 Cb 0.28 -0.17 0.33 0.00 -0.31 0.00 0.00 39.34 39.47 2hpl n TYR 51 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hpl n ARG 52 N -0.93 1.90 -3.83 -0.72 1.74 -0.71 -4.73 116.66 109.39 2hpl n ARG 52 Ca 0.15 -1.35 -0.13 0.00 -0.77 0.00 0.00 57.85 55.74 2hpl n ARG 52 Cb 0.28 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 2hpl n ARG 52 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2hpl s SER 53 N -1.53 0.01 -0.11 0.55 1.04 -1.25 -0.14 113.70 112.27 2hpl s SER 53 Ca 0.33 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.81 2hpl s SER 53 Cb 0.18 0.00 0.02 0.00 0.10 0.00 0.00 66.02 66.32 2hpl s SER 53 CO 0.27 -0.06 -0.11 -0.63 0.98 0.00 0.00 173.24 173.69 2hpl s ILE 54 N 0.45 1.25 0.02 -1.02 1.01 0.13 -4.98 121.20 118.06 2hpl s ILE 54 Ca -0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 2hpl s ILE 54 Cb -0.05 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2hpl s ILE 54 CO -0.01 0.40 1.19 -0.60 0.00 0.00 0.00 174.94 175.91 2hpl s ARG 55 N 1.33 4.41 0.45 2.79 3.52 -1.26 -1.07 118.95 129.13 2hpl s ARG 55 Ca -0.01 1.72 0.12 0.00 -0.13 0.00 0.00 55.73 57.43 2hpl s ARG 55 Cb -0.14 -3.43 1.01 0.00 -1.56 0.00 0.00 34.95 30.84 2hpl s ARG 55 CO -0.05 -0.31 2.05 0.82 -0.81 0.00 0.00 175.30 176.99 2hpl h ILE 56 N 4.70 1.09 -0.01 4.11 2.04 -1.08 -1.60 117.51 126.76 2hpl h ILE 56 Ca -0.39 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2hpl h ILE 56 Cb 1.20 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2hpl h ILE 56 CO 0.83 0.11 -0.05 0.61 0.00 0.00 0.00 178.15 179.65 2hpl n GLY 57 N -1.28 -0.37 3.64 5.37 0.00 -1.26 -4.15 105.19 107.14 2hpl n GLY 57 Ca -0.01 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.18 2hpl n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hpl n ASN 58 N -0.28 2.26 0.11 1.61 2.85 -0.60 -4.80 115.26 116.40 2hpl n ASN 58 Ca 0.18 1.15 -0.12 0.00 -0.11 0.00 0.00 54.58 55.67 2hpl n ASN 58 Cb 0.31 -1.36 -0.06 0.00 1.24 0.00 0.00 39.78 39.90 2hpl n ASN 58 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2hpl h THR 59 N 2.85 0.64 -0.13 -0.44 2.02 -1.92 -0.52 112.91 115.42 2hpl h THR 59 Ca -0.44 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.76 2hpl h THR 59 Cb 1.30 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 2hpl h THR 59 CO 0.72 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 176.58 2hpl h ALA 60 N 0.51 0.08 -0.27 6.16 0.00 -1.98 -1.37 119.26 122.40 2hpl h ALA 60 Ca 0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hpl h ALA 60 Cb 0.33 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2hpl h ALA 60 CO -0.07 -0.49 0.15 0.35 0.00 0.00 0.00 179.25 179.19 2hpl h PHE 61 N -0.00 0.36 0.00 0.00 3.57 -1.86 0.70 116.94 119.72 2hpl h PHE 61 Ca 0.06 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 2hpl h PHE 61 Cb 0.10 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2hpl h PHE 61 CO -0.17 0.30 -0.63 0.66 -2.23 0.00 0.00 178.31 176.25 2hpl h SER 62 N 0.32 0.00 0.01 0.41 4.64 -0.98 -0.08 113.55 117.87 2hpl h SER 62 Ca 0.09 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.04 2hpl h SER 62 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.08 2hpl h SER 62 CO -0.02 0.63 -2.40 0.35 -0.87 0.00 0.00 176.83 174.52 2hpl n THR 63 N -3.67 1.44 0.35 2.95 -2.24 -0.53 -4.23 114.28 108.35 2hpl n THR 63 Ca -0.01 -0.76 0.07 0.00 -2.27 0.00 0.00 64.05 61.08 2hpl n THR 63 Cb 0.65 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.97 2hpl n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hpl n ARG 64 N -2.94 1.62 0.02 -0.78 1.74 0.23 -4.68 116.66 111.88 2hpl n ARG 64 Ca -0.37 -0.06 -0.02 0.00 -0.77 0.00 0.00 57.85 56.64 2hpl n ARG 64 Cb 1.10 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 31.31 2hpl n ARG 64 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2hpl n LEU 65 N -1.61 1.25 -0.30 0.55 0.00 -0.97 -4.39 117.00 111.54 2hpl n LEU 65 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 56.01 56.28 2hpl n LEU 65 Cb 0.28 -0.41 0.32 0.00 0.00 0.00 0.00 43.42 43.60 2hpl n LEU 65 CO 0.28 -0.66 1.23 -0.07 0.00 0.00 0.00 177.39 178.17 2hpl h LEU 66 N -0.18 0.77 0.00 -1.96 3.38 -1.23 -0.80 115.31 115.29 2hpl h LEU 66 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2hpl h LEU 66 Cb 0.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2hpl h LEU 66 CO -0.00 0.42 0.00 -2.65 0.09 0.00 0.00 178.44 176.30 2hpl n PRO 67 N -4.57 0.27 -3.37 1.13 -0.02 -1.26 -4.76 135.00 122.42 2hpl n PRO 67 Ca 0.17 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.38 2hpl n PRO 67 Cb 0.39 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.29 2hpl n PRO 67 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hpl s VAL 68 N -2.55 5.19 0.15 -1.45 1.01 -0.31 -5.00 120.40 117.45 2hpl s VAL 68 Ca 0.18 0.74 -0.32 0.00 0.00 0.00 0.00 61.98 62.58 2hpl s VAL 68 Cb 0.12 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.64 2hpl s VAL 68 CO 0.28 0.25 1.74 -2.11 0.00 0.00 0.00 175.10 175.26 2hpl n ARG 69 N 4.42 2.62 0.00 2.72 1.85 -1.26 -1.29 116.66 125.73 2hpl n ARG 69 Ca -0.08 0.95 0.00 0.00 -1.00 0.00 0.00 57.85 57.72 2hpl n ARG 69 Cb 0.51 -2.80 0.00 0.00 -1.05 0.00 0.00 32.46 29.12 2hpl n ARG 69 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hpl n GLY 70 N 3.97 3.21 0.15 2.89 0.00 -1.26 -3.91 105.19 110.24 2hpl n GLY 70 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 2hpl n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpl h ALA 71 N 0.00 0.12 -0.30 4.61 0.00 -1.47 -1.86 119.26 120.36 2hpl h ALA 71 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2hpl h ALA 71 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2hpl h ALA 71 CO 0.00 0.35 -0.25 -0.24 0.00 0.00 0.00 179.25 179.10 2hpl h VAL 72 N -0.04 1.27 -0.01 0.00 3.04 -1.81 -1.83 116.25 116.88 2hpl h VAL 72 Ca -0.06 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.29 2hpl h VAL 72 Cb 1.23 1.32 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2hpl h VAL 72 CO 0.11 0.43 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.63 2hpl h GLU 73 N 0.52 0.01 -0.68 4.17 3.07 -1.90 -0.61 114.58 119.14 2hpl h GLU 73 Ca 0.07 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 2hpl h GLU 73 Cb 0.71 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 2hpl h GLU 73 CO 0.05 0.14 0.40 0.00 -1.40 0.00 0.00 179.01 178.20 2hpl h LEU 75 N 0.93 0.74 -0.47 0.00 3.38 -0.96 -0.23 115.31 118.71 2hpl h LEU 75 Ca 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2hpl h LEU 75 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2hpl h LEU 75 CO -0.04 0.58 0.23 -0.26 0.09 0.00 0.00 178.44 179.04 2hpl h PHE 76 N 0.83 0.66 -0.24 1.13 0.04 -1.03 -0.62 116.94 117.71 2hpl h PHE 76 Ca 0.22 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 2hpl h PHE 76 Cb -0.03 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 2hpl h PHE 76 CO -0.02 0.52 -0.04 0.93 -0.60 0.00 0.00 178.31 179.10 2hpl h GLU 77 N 0.61 0.37 0.00 1.51 5.08 -0.72 -1.48 114.58 119.95 2hpl h GLU 77 Ca 0.16 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2hpl h GLU 77 Cb 0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2hpl h GLU 77 CO -0.02 0.43 -0.08 0.52 -1.00 0.00 0.00 179.01 178.86 2hpl h MET 78 N 0.36 0.00 0.00 2.33 2.86 -0.62 -3.44 114.93 116.42 2hpl h MET 78 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2hpl h MET 78 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2hpl h MET 78 CO 0.01 0.08 0.00 0.41 1.06 0.00 0.00 176.91 178.47 2hpl n GLY 79 N -1.27 0.63 3.77 8.32 0.00 -0.56 -3.22 105.19 112.86 2hpl n GLY 79 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2hpl n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpl s PHE 80 N -1.53 2.86 0.04 1.61 0.08 -0.30 -4.31 117.98 116.42 2hpl s PHE 80 Ca 0.00 1.52 0.07 0.00 0.12 0.00 0.00 56.93 58.64 2hpl s PHE 80 Cb 0.00 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 2hpl s PHE 80 CO 0.00 -1.60 -0.17 -1.21 -0.10 0.00 0.00 175.22 172.14 2hpl s GLU 81 N -2.65 2.10 -0.28 0.44 2.02 0.11 -4.31 118.70 116.13 2hpl s GLU 81 Ca 0.63 -0.97 -0.21 0.00 0.02 0.00 0.00 54.97 54.45 2hpl s GLU 81 Cb -0.30 -2.21 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 2hpl s GLU 81 CO 0.37 0.54 0.65 -2.00 0.02 0.00 0.00 175.26 174.84 2hpl s GLU 82 N -1.45 4.01 0.00 1.61 2.12 -1.26 -0.85 118.70 122.88 2hpl s GLU 82 Ca 0.15 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2hpl s GLU 82 Cb -0.11 -3.69 0.00 0.00 0.26 0.00 0.00 34.13 30.59 2hpl s GLU 82 CO 0.06 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.67 2hpl n GLY 83 N 4.26 1.52 0.23 -1.50 0.00 0.99 -4.99 105.19 105.70 2hpl n GLY 83 Ca -0.00 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 2hpl n GLY 83 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hpl h GLU 84 N 0.00 0.77 0.00 1.61 4.39 -2.02 -3.36 114.58 115.96 2hpl h GLU 84 Ca 0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2hpl h GLU 84 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2hpl h GLU 84 CO 0.00 1.03 -0.83 0.25 -1.16 0.00 0.00 179.01 178.30 2hpl n THR 85 N -4.21 0.00 -4.03 1.13 -2.24 -1.26 -4.98 114.28 98.68 2hpl n THR 85 Ca -0.03 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 2hpl n THR 85 Cb 0.49 0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 2hpl n THR 85 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2hpl s HIS 86 N -1.97 0.50 0.02 4.78 3.76 -1.26 -0.41 115.29 120.71 2hpl s HIS 86 Ca -0.00 -0.56 -0.23 0.00 -0.15 0.00 0.00 55.06 54.11 2hpl s HIS 86 Cb 0.03 -0.32 -0.05 0.00 1.11 0.00 0.00 32.58 33.35 2hpl s HIS 86 CO 0.18 -0.15 0.68 -0.51 -0.85 0.00 0.00 174.74 174.09 2hpl s LEU 87 N -1.68 4.43 -0.06 0.89 1.02 -0.23 -0.01 118.68 123.05 2hpl s LEU 87 Ca -0.11 1.30 0.04 0.00 0.02 0.00 0.00 54.13 55.39 2hpl s LEU 87 Cb -0.08 -3.08 -0.00 0.00 0.02 0.00 0.00 46.19 43.05 2hpl s LEU 87 CO -0.01 0.05 -0.20 -0.63 0.02 0.00 0.00 176.35 175.58 2hpl s ILE 88 N -0.09 1.67 -0.65 -0.59 -1.09 -0.03 -0.69 121.20 119.73 2hpl s ILE 88 Ca 0.35 -0.83 -0.23 0.00 -2.23 0.00 0.00 60.65 57.71 2hpl s ILE 88 Cb -0.19 -1.44 0.06 0.00 -1.58 0.00 0.00 42.46 39.31 2hpl s ILE 88 CO 0.20 0.47 1.00 0.12 -1.23 0.00 0.00 174.94 175.51 2hpl s PHE 89 N 0.16 2.64 0.77 3.97 5.36 0.80 0.09 117.98 131.77 2hpl s PHE 89 Ca -0.09 -0.40 -0.11 0.00 -0.96 0.00 0.00 56.93 55.37 2hpl s PHE 89 Cb -0.14 -4.30 0.05 0.00 -0.34 0.00 0.00 43.02 38.29 2hpl s PHE 89 CO 0.04 -1.66 1.09 -1.25 -1.46 0.00 0.00 175.22 171.98 2hpl s PRO 90 N 4.28 2.33 0.34 10.12 0.04 -1.26 -4.90 135.00 145.95 2hpl s PRO 90 Ca 0.25 0.65 0.07 0.00 0.04 0.00 0.00 61.00 62.01 2hpl s PRO 90 Cb -0.15 -1.95 0.76 0.00 0.04 0.00 0.00 34.50 33.21 2hpl s PRO 90 CO 0.12 -1.45 1.88 0.87 0.04 0.00 0.00 177.00 178.46 2hpl h LYS 91 N -0.97 0.73 0.00 4.56 1.57 -1.98 -1.82 116.57 118.67 2hpl h LYS 91 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2hpl h LYS 91 Cb 1.26 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2hpl h LYS 91 CO 0.60 0.49 0.00 1.57 -0.57 0.00 0.00 179.45 181.53 2hpl h LYS 92 N 0.76 0.00 -6.68 3.15 2.10 -1.99 -3.45 116.57 110.45 2hpl h LYS 92 Ca 0.44 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.57 2hpl h LYS 92 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2hpl h LYS 92 CO -0.20 0.00 0.46 0.00 -2.00 0.00 0.00 179.45 177.72 2hpl s ALA 93 N -3.58 3.37 0.25 0.07 0.00 -0.69 -5.01 121.76 116.17 2hpl s ALA 93 Ca 0.01 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 2hpl s ALA 93 Cb 0.09 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2hpl s ALA 93 CO 0.45 -0.17 0.78 -1.54 0.00 0.00 0.00 175.76 175.28 2hpl s SER 94 N -0.27 7.11 0.38 0.00 1.04 -1.26 -4.95 113.70 115.74 2hpl s SER 94 Ca 0.48 1.51 0.09 0.00 0.48 0.00 0.00 55.95 58.52 2hpl s SER 94 Cb -0.29 -2.46 0.75 0.00 0.10 0.00 0.00 66.02 64.12 2hpl s SER 94 CO 0.35 -0.00 1.89 -0.37 0.98 0.00 0.00 173.24 176.09 2hpl h VAL 95 N 2.67 1.19 -0.41 5.02 -1.51 -1.95 -2.93 116.25 118.35 2hpl h VAL 95 Ca -0.48 -0.86 0.04 0.00 -1.23 0.00 0.00 66.70 64.17 2hpl h VAL 95 Cb 1.19 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 31.58 2hpl h VAL 95 CO 0.65 0.27 0.18 -0.08 -1.23 0.00 0.00 177.57 177.36 2hpl h GLU 96 N 0.21 0.37 -0.31 5.19 4.81 -1.96 0.61 114.58 123.50 2hpl h GLU 96 Ca 0.04 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 2hpl h GLU 96 Cb 0.42 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2hpl h GLU 96 CO 0.03 0.24 -0.35 0.37 -0.73 0.00 0.00 179.01 178.57 2hpl h GLN 97 N 0.38 0.70 0.25 1.92 5.75 -1.85 -0.32 115.11 121.93 2hpl h GLN 97 Ca 0.18 -0.33 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 2hpl h GLN 97 Cb 0.11 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.66 2hpl h GLN 97 CO -0.14 0.94 -0.12 1.25 -2.65 0.00 0.00 178.83 178.10 2hpl h LEU 98 N 0.58 -0.29 -0.64 -2.39 5.85 -1.16 -2.88 115.31 114.38 2hpl h LEU 98 Ca 0.06 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2hpl h LEU 98 Cb 0.87 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.91 2hpl h LEU 98 CO 0.08 -0.21 0.31 -0.61 -0.34 0.00 0.00 178.44 177.67 2hpl h GLN 99 N -0.34 0.54 -0.54 1.25 5.75 0.27 -1.98 115.11 120.05 2hpl h GLN 99 Ca -0.03 -0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.54 2hpl h GLN 99 Cb 0.26 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 28.61 2hpl h GLN 99 CO 0.05 0.35 0.08 -0.22 -2.65 0.00 0.00 178.83 176.45 2hpl h LYS 100 N 0.55 0.21 -0.16 1.69 3.64 -0.87 -0.09 116.57 121.55 2hpl h LYS 100 Ca 0.31 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.46 2hpl h LYS 100 Cb 0.30 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2hpl h LYS 100 CO -0.24 0.14 -0.76 0.82 -2.27 0.00 0.00 179.45 177.13 2hpl h ILE 101 N 0.21 1.28 -0.34 2.00 1.08 -1.29 -2.11 117.51 118.35 2hpl h ILE 101 Ca 0.28 -1.97 0.07 0.00 -0.39 0.00 0.00 64.86 62.85 2hpl h ILE 101 Cb 0.40 1.96 -0.06 0.00 -3.07 0.00 0.00 36.82 36.06 2hpl h ILE 101 CO -0.38 0.62 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.55 2hpl h ARG 102 N 0.53 0.03 -0.83 2.37 1.12 -1.04 -0.94 114.38 115.62 2hpl h ARG 102 Ca -0.05 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.79 2hpl h ARG 102 Cb 1.39 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.30 2hpl h ARG 102 CO 0.16 0.02 0.40 -0.44 -3.11 0.00 0.00 179.97 177.00 2hpl h ASP 103 N 0.03 1.07 -0.50 -3.80 3.32 -0.83 -1.18 116.42 114.53 2hpl h ASP 103 Ca 0.17 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 2hpl h ASP 103 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2hpl h ASP 103 CO -0.33 0.90 0.02 -0.07 -1.72 0.00 0.00 179.24 178.04 2hpl h LEU 104 N 1.17 0.85 -0.38 1.55 3.38 -0.87 -2.46 115.31 118.57 2hpl h LEU 104 Ca 0.29 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2hpl h LEU 104 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hpl h LEU 104 CO -0.04 0.94 -0.17 0.40 0.09 0.00 0.00 178.44 179.66 2hpl h ILE 105 N 0.74 1.28 -0.84 1.22 2.04 -0.89 -2.99 117.51 118.08 2hpl h ILE 105 Ca 0.15 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.72 2hpl h ILE 105 Cb 0.49 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2hpl h ILE 105 CO 0.02 0.43 0.55 0.00 0.00 0.00 0.00 178.15 179.15 2hpl h ALA 106 N 0.80 1.07 -0.75 1.87 0.00 -1.09 -0.95 119.26 120.21 2hpl h ALA 106 Ca 0.09 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2hpl h ALA 106 Cb 0.72 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2hpl h ALA 106 CO 0.05 0.45 0.39 0.82 0.00 0.00 0.00 179.25 180.96 2hpl h ILE 107 N 1.11 0.86 0.00 0.00 2.04 -1.43 -1.22 117.51 118.87 2hpl h ILE 107 Ca 0.31 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 2hpl h ILE 107 Cb -0.10 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 2hpl h ILE 107 CO -0.08 0.12 -0.40 -0.33 0.00 0.00 0.00 178.15 177.46 2hpl h GLU 108 N 0.66 0.00 0.00 2.37 4.39 -1.15 -2.59 114.58 118.25 2hpl h GLU 108 Ca 0.37 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.99 2hpl h GLU 108 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2hpl h GLU 108 CO -0.27 0.40 -0.38 0.00 -1.16 0.00 0.00 179.01 177.61 2hpl h ARG 109 N 0.00 0.00 -0.01 2.33 3.08 -0.57 -2.91 114.38 116.30 2hpl h ARG 109 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hpl h ARG 109 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2hpl h ARG 109 CO 0.05 0.38 -0.04 -1.13 -1.07 0.00 0.00 179.97 178.15 2hpl n SER 110 N -3.31 1.27 -0.11 7.04 3.41 -0.52 -5.10 113.62 116.30 2hpl n SER 110 Ca 0.01 -1.33 0.01 0.00 -0.26 0.00 0.00 58.87 57.31 2hpl n SER 110 Cb 0.60 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.58 2hpl n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68