#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p04 s ALA 2 N 0.00 3.11 0.66 3.04 0.00 -1.26 -5.13 121.76 122.17 2p04 s ALA 2 Ca 0.00 -3.43 -0.13 0.00 0.00 0.00 0.00 51.96 48.40 2p04 s ALA 2 Cb 0.00 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.11 2p04 s ALA 2 CO 0.00 -2.06 1.06 -1.25 0.00 0.00 0.00 175.76 173.51 2p04 s PRO 3 N -1.01 3.07 0.49 0.00 0.04 -1.26 -4.98 135.00 131.34 2p04 s PRO 3 Ca 0.27 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.13 2p04 s PRO 3 Cb -0.02 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2p04 s PRO 3 CO -0.18 -1.00 1.22 -1.25 0.04 0.00 0.00 177.00 175.84 2p04 s PRO 4 N -4.69 3.57 0.00 0.56 0.04 -1.26 -4.93 135.00 128.29 2p04 s PRO 4 Ca 0.60 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2p04 s PRO 4 Cb -0.15 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2p04 s PRO 4 CO 0.48 -0.75 0.21 -2.39 0.04 0.00 0.00 177.00 174.60 2p04 n HIS 5 N -0.66 0.00 -4.85 0.56 1.44 -1.26 -5.08 115.22 105.38 2p04 n HIS 5 Ca 0.08 -0.02 -0.30 0.00 -2.01 0.00 0.00 57.72 55.47 2p04 n HIS 5 Cb 0.47 -0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.44 2p04 n HIS 5 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2p04 s LEU 6 N -0.04 2.33 0.24 2.39 1.43 -1.26 -5.14 118.68 118.64 2p04 s LEU 6 Ca 0.00 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.53 2p04 s LEU 6 Cb 0.00 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 2p04 s LEU 6 CO 0.00 0.27 0.32 0.28 0.23 0.00 0.00 176.35 177.45 2p04 s THR 7 N -0.83 0.00 0.23 5.49 -1.32 -1.26 -5.14 115.64 112.82 2p04 s THR 7 Ca 0.13 -1.71 -0.30 0.00 -1.21 0.00 0.00 61.69 58.60 2p04 s THR 7 Cb -0.10 -2.39 -0.09 0.00 -1.51 0.00 0.00 72.50 68.41 2p04 s THR 7 CO 0.03 0.00 1.16 -0.76 -2.21 0.00 0.00 174.62 172.84 2p04 s LEU 8 N -3.12 4.49 0.69 9.08 1.02 -1.26 -5.01 118.68 124.57 2p04 s LEU 8 Ca 0.31 2.28 -0.15 0.00 0.02 0.00 0.00 54.13 56.59 2p04 s LEU 8 Cb 0.03 -3.62 0.02 0.00 0.02 0.00 0.00 46.19 42.64 2p04 s LEU 8 CO 0.12 -0.29 1.15 -0.94 0.02 0.00 0.00 176.35 176.42 2p04 s SER 9 N -0.32 4.66 0.37 2.29 1.04 -1.26 -4.72 113.70 115.76 2p04 s SER 9 Ca 0.49 2.16 0.16 0.00 0.48 0.00 0.00 55.95 59.24 2p04 s SER 9 Cb -0.33 -2.57 1.04 0.00 0.10 0.00 0.00 66.02 64.26 2p04 s SER 9 CO 0.40 -1.94 1.76 -0.65 0.98 0.00 0.00 173.24 173.79 2p04 h PRO 10 N -0.14 0.44 -0.25 4.02 0.11 -1.99 0.61 132.00 134.81 2p04 h PRO 10 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2p04 h PRO 10 Cb 1.27 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2p04 h PRO 10 CO 0.52 0.29 0.02 1.49 -0.21 0.00 0.00 178.00 180.11 2p04 h GLU 11 N 0.45 0.42 -0.44 1.05 4.81 -1.99 -2.18 114.58 116.70 2p04 h GLU 11 Ca 0.61 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.62 2p04 h GLU 11 Cb 1.42 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2p04 h GLU 11 CO -0.35 0.57 -0.12 1.25 -0.73 0.00 0.00 179.01 179.63 2p04 h LEU 12 N 0.21 0.79 -0.91 1.64 5.85 -1.55 -2.37 115.31 118.98 2p04 h LEU 12 Ca 0.07 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.61 2p04 h LEU 12 Cb 0.37 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2p04 h LEU 12 CO 0.01 0.93 0.57 0.25 -0.34 0.00 0.00 178.44 179.86 2p04 h LEU 13 N 0.72 0.90 -1.35 2.25 5.85 -0.84 0.13 115.31 122.97 2p04 h LEU 13 Ca 0.12 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2p04 h LEU 13 Cb 0.61 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2p04 h LEU 13 CO 0.04 0.57 -0.26 0.00 -0.34 0.00 0.00 178.44 178.46 2p04 h ALA 14 N 1.42 1.16 0.16 1.25 0.00 -1.09 0.14 119.26 122.29 2p04 h ALA 14 Ca 0.40 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 2p04 h ALA 14 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2p04 h ALA 14 CO -0.18 0.32 -1.47 0.87 0.00 0.00 0.00 179.25 178.80 2p04 h LYS 15 N 0.00 0.34 -0.19 0.00 1.79 -0.85 -3.20 116.57 114.47 2p04 h LYS 15 Ca -0.00 -0.58 -0.15 0.00 -2.18 0.00 0.00 60.65 57.74 2p04 h LYS 15 Cb 0.64 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2p04 h LYS 15 CO 0.03 1.28 -0.53 0.00 -1.08 0.00 0.00 179.45 179.15 2p04 h ALA 16 N 0.05 0.74 -2.70 3.86 0.00 -0.76 -3.34 119.26 117.10 2p04 h ALA 16 Ca -0.29 -0.50 -0.61 0.00 0.00 0.00 0.00 54.91 53.51 2p04 h ALA 16 Cb 1.91 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 19.20 2p04 h ALA 16 CO 0.14 0.68 -0.65 1.19 0.00 0.00 0.00 179.25 180.61 2p04 n PHE 17 N -3.97 2.76 0.50 0.00 3.72 0.48 -4.95 117.46 116.01 2p04 n PHE 17 Ca -0.03 -4.13 0.06 0.00 -0.05 0.00 0.00 57.45 53.30 2p04 n PHE 17 Cb 0.59 -0.50 0.29 0.00 -0.94 0.00 0.00 39.48 38.91 2p04 n PHE 17 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2p04 n PRO 18 N 1.70 0.09 -0.18 -1.08 -0.04 -1.21 -1.83 135.00 132.45 2p04 n PRO 18 Ca 0.24 0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 2p04 n PRO 18 Cb 0.39 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.49 2p04 n PRO 18 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2p04 n PHE 19 N -1.39 0.40 -1.85 0.54 3.72 -1.26 -1.65 117.46 115.96 2p04 n PHE 19 Ca 0.04 -0.63 -0.33 0.00 -0.05 0.00 0.00 57.45 56.48 2p04 n PHE 19 Cb 0.12 -0.11 0.04 0.00 -0.94 0.00 0.00 39.48 38.59 2p04 n PHE 19 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 176.76 173.33 2p04 s HIS 20 N -1.58 2.73 0.06 1.38 -3.43 -0.76 -4.47 115.29 109.22 2p04 s HIS 20 Ca 0.22 1.54 -0.03 0.00 -0.80 0.00 0.00 55.06 55.99 2p04 s HIS 20 Cb 0.15 -3.13 -0.03 0.00 -1.43 0.00 0.00 32.58 28.15 2p04 s HIS 20 CO 0.09 -1.52 0.03 -0.59 -2.00 0.00 0.00 174.74 170.75 2p04 s PHE 21 N -2.35 0.41 0.04 0.38 -0.12 -0.92 -0.38 117.98 115.03 2p04 s PHE 21 Ca 0.66 -0.91 0.07 0.00 -0.05 0.00 0.00 56.93 56.70 2p04 s PHE 21 Cb -0.19 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 41.88 2p04 s PHE 21 CO 0.40 -0.41 -0.20 0.00 -0.05 0.00 0.00 175.22 174.95 2p04 s ALA 22 N -3.76 1.71 0.04 1.99 0.00 -0.66 0.87 121.76 121.95 2p04 s ALA 22 Ca 0.05 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 2p04 s ALA 22 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2p04 s ALA 22 CO -0.10 0.39 0.03 -0.59 0.00 0.00 0.00 175.76 175.49 2p04 s PHE 23 N -0.76 0.31 0.57 0.00 -0.12 -0.40 -1.51 117.98 116.07 2p04 s PHE 23 Ca 0.07 -0.69 0.07 0.00 -0.05 0.00 0.00 56.93 56.34 2p04 s PHE 23 Cb -0.09 -0.23 0.08 0.00 -0.63 0.00 0.00 43.02 42.15 2p04 s PHE 23 CO 0.01 -0.33 0.78 -1.54 -0.05 0.00 0.00 175.22 174.10 2p04 s SER 24 N -2.21 5.08 0.42 1.98 1.04 -0.42 -1.51 113.70 118.08 2p04 s SER 24 Ca -0.04 -0.64 0.20 0.00 0.48 0.00 0.00 55.95 55.95 2p04 s SER 24 Cb -0.01 0.00 1.15 0.00 0.10 0.00 0.00 66.02 67.26 2p04 s SER 24 CO -0.05 -1.31 1.81 0.03 0.98 0.00 0.00 173.24 174.69 2p04 h ARG 25 N 0.14 0.34 0.00 4.02 3.08 -1.91 0.54 114.38 120.59 2p04 h ARG 25 Ca -0.33 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2p04 h ARG 25 Cb 1.28 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2p04 h ARG 25 CO 0.42 0.23 0.00 0.27 -1.07 0.00 0.00 179.97 179.82 2p04 n ASN 26 N -4.54 0.00 -0.31 7.04 6.94 -1.26 -4.79 115.26 118.34 2p04 n ASN 26 Ca 0.23 -1.26 -0.04 0.00 -0.02 0.00 0.00 54.58 53.49 2p04 n ASN 26 Cb 0.85 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.25 2p04 n ASN 26 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2p04 n ARG 27 N -0.71 -0.92 -2.92 -3.83 1.74 0.18 -4.98 116.66 105.23 2p04 n ARG 27 Ca 0.08 0.49 -0.40 0.00 -0.77 0.00 0.00 57.85 57.25 2p04 n ARG 27 Cb 0.04 -4.33 -0.05 0.00 -1.02 0.00 0.00 32.46 27.10 2p04 n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2p04 s GLU 28 N -1.73 4.52 0.04 5.56 2.12 -1.25 -1.02 118.70 126.93 2p04 s GLU 28 Ca 0.00 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 2p04 s GLU 28 Cb 0.00 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2p04 s GLU 28 CO 0.00 0.17 1.17 0.42 -0.54 0.00 0.00 175.26 176.48 2p04 s ILE 29 N 0.33 4.17 -0.03 -3.70 1.01 0.15 -1.31 121.20 121.83 2p04 s ILE 29 Ca 0.42 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.63 2p04 s ILE 29 Cb -0.20 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 2p04 s ILE 29 CO 0.24 0.10 0.04 1.33 0.00 0.00 0.00 174.94 176.65 2p04 n VAL 30 N 4.02 0.00 -3.61 2.92 0.24 -0.57 -0.04 118.33 121.29 2p04 n VAL 30 Ca 0.09 -0.20 -0.16 0.00 -2.04 0.00 0.00 64.34 62.03 2p04 n VAL 30 Cb 0.47 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 2p04 n VAL 30 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2p04 s GLN 31 N -1.73 0.89 0.06 7.34 0.74 -1.20 -4.94 119.66 120.83 2p04 s GLN 31 Ca -0.00 0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.67 2p04 s GLN 31 Cb 0.01 0.42 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 2p04 s GLN 31 CO 0.06 -0.25 -0.04 0.95 -0.55 0.00 0.00 175.29 175.46 2p04 s THR 32 N -0.92 0.38 0.80 -0.34 -4.23 -1.26 -1.65 115.64 108.41 2p04 s THR 32 Ca -0.09 -1.70 -0.11 0.00 -1.18 0.00 0.00 61.69 58.61 2p04 s THR 32 Cb -0.02 -1.36 0.07 0.00 1.34 0.00 0.00 72.50 72.52 2p04 s THR 32 CO 0.07 -0.86 1.09 -0.83 -0.54 0.00 0.00 174.62 173.54 2p04 s GLY 33 N -2.70 1.65 0.20 3.99 0.00 0.49 -4.91 107.32 106.04 2p04 s GLY 33 Ca 0.05 0.04 -0.10 0.00 0.00 0.00 0.00 44.72 44.70 2p04 s GLY 33 CO -0.07 0.44 1.82 1.05 0.00 0.00 0.00 173.10 176.34 2p04 h GLU 34 N -1.16 0.67 0.05 2.90 4.11 -1.60 -3.01 114.58 116.53 2p04 h GLU 34 Ca -0.46 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 2p04 h GLU 34 Cb 1.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2p04 h GLU 34 CO 0.55 0.45 -0.02 0.28 0.07 0.00 0.00 179.01 180.33 2p04 h VAL 35 N 0.69 1.27 -0.71 -1.06 2.07 -1.74 -2.70 116.25 114.08 2p04 h VAL 35 Ca 0.27 -1.12 0.15 0.00 0.82 0.00 0.00 66.70 66.83 2p04 h VAL 35 Cb 0.12 2.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 2p04 h VAL 35 CO -0.15 0.28 0.07 0.25 0.02 0.00 0.00 177.57 178.04 2p04 h LEU 36 N -0.57 -0.18 -0.65 2.57 5.85 -1.28 -0.81 115.31 120.25 2p04 h LEU 36 Ca -0.01 0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 2p04 h LEU 36 Cb 0.50 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2p04 h LEU 36 CO 0.01 -0.11 -0.53 1.05 -0.34 0.00 0.00 178.44 178.52 2p04 h GLU 37 N 0.17 0.39 -0.93 1.25 4.11 -1.59 -2.83 114.58 115.15 2p04 h GLU 37 Ca 0.39 -0.24 0.03 0.00 0.07 0.00 0.00 59.36 59.61 2p04 h GLU 37 Cb 0.66 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2p04 h GLU 37 CO -0.56 0.83 0.61 -0.09 0.07 0.00 0.00 179.01 179.86 2p04 h ARG 38 N 0.30 1.16 0.00 1.06 2.43 -0.85 -3.10 114.38 115.38 2p04 h ARG 38 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2p04 h ARG 38 Cb 1.04 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2p04 h ARG 38 CO 0.09 0.77 -0.60 0.44 -1.51 0.00 0.00 179.97 179.16 2p04 n ILE 39 N -4.48 0.37 -2.29 1.20 -5.35 -0.48 -4.84 119.36 103.49 2p04 n ILE 39 Ca 0.12 -0.28 -0.41 0.00 -0.27 0.00 0.00 62.75 61.91 2p04 n ILE 39 Cb 0.08 -0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 37.80 2p04 n ILE 39 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2p04 s SER 40 N -4.25 6.98 0.13 7.28 0.15 -1.07 -4.95 113.70 117.97 2p04 s SER 40 Ca 0.06 2.32 -0.16 0.00 0.70 0.00 0.00 55.95 58.87 2p04 s SER 40 Cb 0.13 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2p04 s SER 40 CO 0.72 -0.46 1.68 -0.65 1.20 0.00 0.00 173.24 175.72 2p04 h PRO 41 N 5.38 0.61 -5.95 5.44 0.11 -1.88 -3.44 132.00 132.26 2p04 h PRO 41 Ca -0.44 -0.11 -0.62 0.00 0.11 0.00 0.00 66.00 64.93 2p04 h PRO 41 Cb 1.21 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2p04 h PRO 41 CO 0.76 0.58 -0.37 -2.00 -0.21 0.00 0.00 178.00 176.76 2p04 s GLU 42 N -5.52 3.60 0.20 1.05 2.12 -1.26 -5.07 118.70 113.82 2p04 s GLU 42 Ca -0.13 -0.07 -0.32 0.00 0.36 0.00 0.00 54.97 54.81 2p04 s GLU 42 Cb 0.10 -3.05 -0.15 0.00 0.26 0.00 0.00 34.13 31.30 2p04 s GLU 42 CO 0.76 0.62 1.23 -0.35 -0.54 0.00 0.00 175.26 176.97 2p04 n PRO 43 N 0.95 1.46 -0.05 4.30 -0.04 -1.26 -4.93 135.00 135.43 2p04 n PRO 43 Ca -0.10 0.52 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2p04 n PRO 43 Cb 0.53 -2.06 -0.14 0.00 -0.04 0.00 0.00 33.50 31.79 2p04 n PRO 43 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2p04 n LEU 44 N 1.99 1.38 -4.69 1.53 4.77 -1.26 -4.77 117.00 115.95 2p04 n LEU 44 Ca 0.13 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 2p04 n LEU 44 Cb 0.27 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2p04 n LEU 44 CO 0.61 0.61 1.37 -0.69 -1.33 0.00 0.00 177.39 177.96 2p04 s VAL 45 N -2.55 2.96 0.00 4.08 1.01 -1.26 -1.94 120.40 122.70 2p04 s VAL 45 Ca -0.15 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2p04 s VAL 45 Cb 0.07 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2p04 s VAL 45 CO 0.78 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.49 2p04 n GLY 46 N 4.06 0.12 3.96 4.51 0.00 0.95 -4.99 105.19 113.80 2p04 n GLY 46 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2p04 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p04 s LYS 47 N -1.00 3.30 0.05 1.61 3.01 -0.82 -4.80 119.74 121.10 2p04 s LYS 47 Ca 0.00 -0.61 -0.23 0.00 -1.01 0.00 0.00 55.97 54.13 2p04 s LYS 47 Cb 0.00 -2.72 -0.06 0.00 -1.01 0.00 0.00 37.83 34.04 2p04 s LYS 47 CO 0.00 0.10 0.69 -0.51 0.51 0.00 0.00 175.35 176.14 2p04 s LEU 48 N -4.27 4.48 0.24 3.17 1.43 -1.26 -0.67 118.68 121.80 2p04 s LEU 48 Ca 0.42 1.37 -0.05 0.00 -1.03 0.00 0.00 54.13 54.83 2p04 s LEU 48 Cb -0.10 -3.10 0.45 0.00 0.03 0.00 0.00 46.19 43.48 2p04 s LEU 48 CO 0.34 0.11 1.70 0.40 0.23 0.00 0.00 176.35 179.13 2p04 h ILE 49 N 3.91 0.57 0.00 -0.59 2.04 -1.44 -1.85 117.51 120.15 2p04 h ILE 49 Ca -0.46 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2p04 h ILE 49 Cb 1.21 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2p04 h ILE 49 CO 0.69 0.06 0.00 -1.84 0.00 0.00 0.00 178.15 177.06 2p04 n GLU 50 N -5.10 0.40 0.03 2.37 0.00 -1.26 -0.20 120.64 116.88 2p04 n GLU 50 Ca 0.14 0.06 0.14 0.00 0.00 0.00 0.00 57.16 57.49 2p04 n GLU 50 Cb 0.44 -1.50 0.55 0.00 0.00 0.00 0.00 31.44 30.93 2p04 n GLU 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2p04 n GLN 51 N -1.24 0.09 0.00 3.44 6.02 -0.70 -4.38 117.38 120.61 2p04 n GLN 51 Ca 0.12 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2p04 n GLN 51 Cb 0.17 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.83 2p04 n GLN 51 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2p04 n HIS 52 N -1.75 0.00 -4.21 1.08 8.25 0.72 -4.93 115.22 114.38 2p04 n HIS 52 Ca 0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.35 2p04 n HIS 52 Cb 0.37 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.37 2p04 n HIS 52 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2p04 s PHE 53 N -1.38 1.27 0.06 4.41 0.08 0.38 -0.74 117.98 122.05 2p04 s PHE 53 Ca 0.00 -0.55 0.09 0.00 0.12 0.00 0.00 56.93 56.59 2p04 s PHE 53 Cb 0.00 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.74 2p04 s PHE 53 CO 0.00 0.09 -0.26 -1.14 -0.10 0.00 0.00 175.22 173.81 2p04 s GLN 54 N -2.45 1.66 -0.29 0.44 0.74 -0.25 -4.41 119.66 115.10 2p04 s GLN 54 Ca 0.05 -1.14 -0.17 0.00 0.05 0.00 0.00 55.36 54.15 2p04 s GLN 54 Cb -0.06 -1.89 -0.02 0.00 1.10 0.00 0.00 33.01 32.13 2p04 s GLN 54 CO 0.02 0.48 0.47 0.42 -0.55 0.00 0.00 175.29 176.13 2p04 s ILE 55 N -0.86 5.09 -0.14 -2.34 1.01 -1.26 -0.31 121.20 122.38 2p04 s ILE 55 Ca 0.12 0.62 -0.18 0.00 0.00 0.00 0.00 60.65 61.21 2p04 s ILE 55 Cb -0.10 -3.83 -0.25 0.00 0.01 0.00 0.00 42.46 38.30 2p04 s ILE 55 CO 0.03 0.02 0.46 0.78 0.00 0.00 0.00 174.94 176.23 2p04 h ASN 56 N 8.19 0.25 -3.69 3.58 -0.26 -0.49 -3.45 115.58 119.71 2p04 h ASN 56 Ca -0.29 -0.78 -0.25 0.00 -0.56 0.00 0.00 56.30 54.41 2p04 h ASN 56 Cb 1.14 -0.08 -0.29 0.00 -1.06 0.00 0.00 38.32 38.03 2p04 h ASN 56 CO 0.71 1.56 -0.72 -0.13 -1.06 0.00 0.00 177.43 177.78 2p04 s ARG 57 N -2.43 0.02 1.02 0.81 1.81 -1.03 -4.38 118.95 114.77 2p04 s ARG 57 Ca -0.23 0.03 -0.15 0.00 -1.72 0.00 0.00 55.73 53.67 2p04 s ARG 57 Cb 0.04 -0.08 0.20 0.00 -0.45 0.00 0.00 34.95 34.66 2p04 s ARG 57 CO 0.71 -0.03 1.14 -1.25 -0.68 0.00 0.00 175.30 175.19 2p04 s PRO 58 N 0.24 0.25 -1.48 3.54 0.04 -1.26 -0.04 135.00 136.28 2p04 s PRO 58 Ca -0.02 0.14 -0.10 0.00 0.04 0.00 0.00 61.00 61.06 2p04 s PRO 58 Cb -0.03 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.78 2p04 s PRO 58 CO -0.01 -2.77 2.52 1.63 0.04 0.00 0.00 177.00 178.41 2p04 n LYS 59 N -4.14 3.62 -4.50 4.56 4.76 -1.26 -4.88 118.16 116.32 2p04 n LYS 59 Ca 0.09 -2.71 -0.24 0.00 -2.87 0.00 0.00 58.31 52.58 2p04 n LYS 59 Cb 0.59 -2.92 -0.10 0.00 -1.84 0.00 0.00 35.03 30.75 2p04 n LYS 59 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2p04 s ILE 60 N 1.64 2.23 0.53 -0.18 -4.36 -1.26 -5.13 121.20 114.66 2p04 s ILE 60 Ca 0.57 -2.26 -0.19 0.00 -0.26 0.00 0.00 60.65 58.51 2p04 s ILE 60 Cb 0.16 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.32 2p04 s ILE 60 CO -0.07 -0.29 1.07 -0.76 0.24 0.00 0.00 174.94 175.13 2p04 s LEU 61 N -3.55 3.73 -1.12 0.37 1.02 -1.26 -4.82 118.68 113.04 2p04 s LEU 61 Ca 0.31 1.97 -0.21 0.00 0.02 0.00 0.00 54.13 56.22 2p04 s LEU 61 Cb 0.00 -4.56 0.02 0.00 0.02 0.00 0.00 46.19 41.67 2p04 s LEU 61 CO 0.15 -1.02 1.70 -0.51 0.02 0.00 0.00 176.35 176.69 2p04 s ILE 62 N -2.04 3.86 -0.03 -0.59 2.07 -1.26 -4.78 121.20 118.43 2p04 s ILE 62 Ca 0.68 -1.12 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 2p04 s ILE 62 Cb -0.18 -4.87 0.01 0.00 0.13 0.00 0.00 42.46 37.55 2p04 s ILE 62 CO 0.26 -1.67 -0.04 -0.62 -1.91 0.00 0.00 174.94 170.96 2p04 s ASP 63 N 5.43 0.72 0.16 4.50 2.15 -1.26 -4.99 116.67 123.38 2p04 s ASP 63 Ca 0.56 -0.10 -0.15 0.00 0.43 0.00 0.00 52.55 53.30 2p04 s ASP 63 Cb 0.00 -0.28 0.04 0.00 -0.30 0.00 0.00 42.92 42.39 2p04 s ASP 63 CO 0.01 -0.02 1.79 0.15 -0.17 0.00 0.00 175.17 176.93 2p04 h PHE 64 N 6.81 0.64 -0.23 -5.34 3.57 -1.90 -1.29 116.94 119.20 2p04 h PHE 64 Ca -0.36 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 60.98 2p04 h PHE 64 Cb 1.16 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.69 2p04 h PHE 64 CO 0.47 0.45 -0.46 -0.44 -2.23 0.00 0.00 178.31 176.11 2p04 h ASP 65 N 0.64 0.80 -0.53 0.41 3.32 -1.98 -1.65 116.42 117.44 2p04 h ASP 65 Ca 0.17 -0.54 0.10 0.00 0.02 0.00 0.00 57.03 56.78 2p04 h ASP 65 Cb -0.00 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.24 2p04 h ASP 65 CO -0.03 1.19 0.07 0.00 -1.72 0.00 0.00 179.24 178.75 2p04 h ALA 66 N 0.63 0.56 -0.52 3.45 0.00 -1.88 -0.15 119.26 121.35 2p04 h ALA 66 Ca 0.01 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2p04 h ALA 66 Cb 1.06 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2p04 h ALA 66 CO 0.10 -0.34 -0.14 0.82 0.00 0.00 0.00 179.25 179.69 2p04 h ILE 67 N 0.19 1.27 0.00 0.00 2.04 -1.24 -3.17 117.51 116.60 2p04 h ILE 67 Ca 0.27 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 2p04 h ILE 67 Cb 0.39 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2p04 h ILE 67 CO -0.38 0.45 -0.23 0.77 0.00 0.00 0.00 178.15 178.76 2p04 h SER 68 N 0.88 0.00 -0.51 1.72 4.64 -0.82 -2.65 113.55 116.81 2p04 h SER 68 Ca 0.13 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.19 2p04 h SER 68 Cb 0.71 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.64 2p04 h SER 68 CO 0.05 0.23 0.33 2.29 -0.87 0.00 0.00 176.83 178.87 2p04 n LYS 69 N -3.45 1.65 -2.94 4.77 2.85 -0.11 -4.36 118.16 116.57 2p04 n LYS 69 Ca -0.00 -1.54 -0.14 0.00 -1.05 0.00 0.00 58.31 55.58 2p04 n LYS 69 Cb 0.41 -1.61 0.02 0.00 -0.65 0.00 0.00 35.03 33.21 2p04 n LYS 69 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2p04 n GLN 70 N -0.34 0.91 0.22 -1.58 6.02 -1.00 -5.02 117.38 116.59 2p04 n GLN 70 Ca 0.30 -2.52 0.08 0.00 -0.01 0.00 0.00 57.00 54.86 2p04 n GLN 70 Cb 1.10 -1.34 0.49 0.00 1.02 0.00 0.00 30.24 31.51 2p04 n GLN 70 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2p04 h PRO 71 N 3.35 0.00 0.00 -1.09 0.11 -1.77 -3.15 132.00 129.44 2p04 h PRO 71 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2p04 h PRO 71 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2p04 h PRO 71 CO 0.33 0.26 -0.97 0.54 -0.21 0.00 0.00 178.00 177.95 2p04 n ARG 72 N -3.65 0.22 -1.90 1.05 1.74 -1.26 -4.64 116.66 108.22 2p04 n ARG 72 Ca -0.01 -0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 2p04 n ARG 72 Cb 0.39 -1.57 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 2p04 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2p04 s ALA 73 N -3.15 3.28 -0.42 7.54 0.00 -1.19 -4.98 121.76 122.84 2p04 s ALA 73 Ca 0.05 1.39 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 2p04 s ALA 73 Cb 0.15 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2p04 s ALA 73 CO 0.80 -1.04 0.68 -1.17 0.00 0.00 0.00 175.76 175.03 2p04 s LEU 74 N -2.55 4.38 0.16 0.00 0.20 -1.26 -4.51 118.68 115.10 2p04 s LEU 74 Ca 0.59 -0.18 -0.26 0.00 0.69 0.00 0.00 54.13 54.97 2p04 s LEU 74 Cb -0.42 -2.80 -0.08 0.00 -0.43 0.00 0.00 46.19 42.46 2p04 s LEU 74 CO 0.54 -0.78 0.81 -0.36 -0.29 0.00 0.00 176.35 176.27 2p04 s PHE 75 N 2.92 3.89 -0.21 5.38 0.08 0.28 -4.38 117.98 125.95 2p04 s PHE 75 Ca 0.25 1.66 -0.01 0.00 0.12 0.00 0.00 56.93 58.95 2p04 s PHE 75 Cb -0.14 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.51 2p04 s PHE 75 CO 0.19 0.46 -0.12 0.42 -0.10 0.00 0.00 175.22 176.07 2p04 s ILE 76 N -0.94 2.62 0.10 0.64 -1.09 0.95 -1.05 121.20 122.43 2p04 s ILE 76 Ca 0.37 -0.85 0.09 0.00 -2.23 0.00 0.00 60.65 58.03 2p04 s ILE 76 Cb -0.23 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 2p04 s ILE 76 CO 0.27 0.41 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.45 2p04 s LEU 77 N 1.35 2.70 -0.16 2.97 1.02 0.56 0.31 118.68 127.42 2p04 s LEU 77 Ca 0.04 -0.53 -0.02 0.00 0.02 0.00 0.00 54.13 53.63 2p04 s LEU 77 Cb -0.14 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 2p04 s LEU 77 CO -0.08 0.19 -0.08 -0.70 0.02 0.00 0.00 176.35 175.70 2p04 s GLU 78 N -2.02 3.48 -0.44 1.70 2.12 0.57 0.88 118.70 124.98 2p04 s GLU 78 Ca 0.17 -0.61 -0.28 0.00 0.36 0.00 0.00 54.97 54.61 2p04 s GLU 78 Cb -0.11 -2.82 0.03 0.00 0.26 0.00 0.00 34.13 31.49 2p04 s GLU 78 CO 0.09 0.12 1.06 0.12 -0.54 0.00 0.00 175.26 176.11 2p04 s PHE 79 N 0.64 2.91 0.48 5.30 5.36 0.14 -1.09 117.98 131.72 2p04 s PHE 79 Ca -0.04 0.70 0.20 0.00 -0.96 0.00 0.00 56.93 56.83 2p04 s PHE 79 Cb -0.15 -4.15 1.31 0.00 -0.34 0.00 0.00 43.02 39.69 2p04 s PHE 79 CO 0.03 -1.12 2.09 -0.07 -1.46 0.00 0.00 175.22 174.68 2p04 h LEU 80 N 10.80 0.00 -0.74 6.12 3.38 -1.25 -0.01 115.31 133.61 2p04 h LEU 80 Ca -0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2p04 h LEU 80 Cb 1.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2p04 h LEU 80 CO 1.08 0.10 0.37 -0.74 0.09 0.00 0.00 178.44 179.34 2p04 h HIS 81 N 0.00 1.05 0.00 1.13 2.76 -1.92 -3.33 115.15 114.84 2p04 h HIS 81 Ca -0.00 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2p04 h HIS 81 Cb 0.21 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.84 2p04 h HIS 81 CO 0.00 0.77 0.00 0.27 -1.30 0.00 0.00 177.93 177.67 2p04 n ASN 82 N -4.42 1.02 0.00 3.26 0.23 -1.15 -5.01 115.26 109.19 2p04 n ASN 82 Ca 0.06 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.67 2p04 n ASN 82 Cb 0.12 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 2p04 n ASN 82 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2p04 n GLY 83 N -0.22 0.11 3.77 4.83 0.00 -0.03 -4.97 105.19 108.68 2p04 n GLY 83 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2p04 n GLY 83 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2p04 s MET 84 N -1.45 4.17 -0.14 1.61 0.23 -1.24 -4.71 119.30 117.76 2p04 s MET 84 Ca 0.00 2.49 -0.08 0.00 -1.03 0.00 0.00 55.69 57.07 2p04 s MET 84 Cb 0.00 -3.01 -0.04 0.00 -1.53 0.00 0.00 34.83 30.25 2p04 s MET 84 CO 0.00 -0.48 0.13 -0.65 -2.03 0.00 0.00 175.02 171.99 2p04 s GLN 85 N -1.62 3.66 0.00 3.16 -0.21 -1.26 -0.68 119.66 122.70 2p04 s GLN 85 Ca 0.54 -0.17 0.05 0.00 0.02 0.00 0.00 55.36 55.81 2p04 s GLN 85 Cb -0.45 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.29 2p04 s GLN 85 CO 0.57 0.62 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.70 2p04 s LEU 86 N -0.59 2.73 0.01 2.90 1.43 0.25 -3.04 118.68 122.38 2p04 s LEU 86 Ca 0.13 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 2p04 s LEU 86 Cb -0.12 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 2p04 s LEU 86 CO 0.02 0.29 -0.23 -1.59 0.23 0.00 0.00 176.35 175.07 2p04 s LYS 87 N -1.17 1.76 0.00 1.70 -2.85 0.25 -0.32 119.74 119.11 2p04 s LYS 87 Ca 0.14 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 2p04 s LYS 87 Cb -0.11 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 2p04 s LYS 87 CO 0.04 0.48 0.00 0.41 0.10 0.00 0.00 175.35 176.38 2p04 n GLY 88 N 2.20 -1.14 3.90 0.59 0.00 -0.22 -2.05 105.19 108.48 2p04 n GLY 88 Ca -0.16 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2p04 n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p04 s GLN 89 N -1.49 3.64 -0.30 1.61 -0.21 -1.19 -0.56 119.66 121.17 2p04 s GLN 89 Ca 0.00 -0.04 -0.05 0.00 0.02 0.00 0.00 55.36 55.28 2p04 s GLN 89 Cb 0.00 -2.76 0.02 0.00 1.00 0.00 0.00 33.01 31.27 2p04 s GLN 89 CO 0.00 0.37 0.05 -1.64 -2.12 0.00 0.00 175.29 171.95 2p04 s MET 90 N -3.02 2.90 -0.21 2.91 -1.94 -1.26 -1.73 119.30 116.95 2p04 s MET 90 Ca 0.42 -0.98 -0.02 0.00 -1.71 0.00 0.00 55.69 53.41 2p04 s MET 90 Cb -0.11 -3.31 0.00 0.00 2.01 0.00 0.00 34.83 33.42 2p04 s MET 90 CO 0.26 -0.49 -0.09 -1.64 -0.01 0.00 0.00 175.02 173.04 2p04 s MET 91 N 1.43 3.20 -0.08 2.03 -1.94 -0.41 -4.63 119.30 118.90 2p04 s MET 91 Ca 0.01 -0.73 -0.28 0.00 -1.71 0.00 0.00 55.69 52.98 2p04 s MET 91 Cb -0.18 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.77 2p04 s MET 91 CO 0.01 -0.22 0.94 -0.47 -0.01 0.00 0.00 175.02 175.27 2p04 s TYR 92 N 1.40 3.55 -0.68 -0.03 5.04 -1.26 -1.41 117.35 123.97 2p04 s TYR 92 Ca 0.05 1.54 -0.06 0.00 -2.44 0.00 0.00 57.07 56.16 2p04 s TYR 92 Cb -0.14 -3.10 0.18 0.00 0.35 0.00 0.00 41.96 39.25 2p04 s TYR 92 CO -0.06 -0.12 0.53 -1.14 -1.34 0.00 0.00 175.55 173.41 2p04 s GLN 93 N 1.58 2.85 0.21 4.97 2.00 0.14 -5.00 119.66 126.41 2p04 s GLN 93 Ca 0.47 -2.52 -0.09 0.00 -2.00 0.00 0.00 55.36 51.22 2p04 s GLN 93 Cb -0.19 -3.92 0.27 0.00 0.80 0.00 0.00 33.01 29.97 2p04 s GLN 93 CO 0.20 -1.21 1.78 -1.00 -0.50 0.00 0.00 175.29 174.56 2p04 h PRO 94 N 7.22 0.54 -0.37 1.67 0.13 -1.95 0.29 132.00 139.53 2p04 h PRO 94 Ca 0.02 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.18 2p04 h PRO 94 Cb 0.97 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.93 2p04 h PRO 94 CO 0.73 0.36 0.01 1.05 -0.23 0.00 0.00 178.00 179.92 2p04 h GLU 95 N 0.56 0.11 0.00 0.86 4.11 -1.96 -2.18 114.58 116.07 2p04 h GLU 95 Ca 0.31 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.73 2p04 h GLU 95 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2p04 h GLU 95 CO -0.24 0.07 -0.46 0.39 0.07 0.00 0.00 179.01 178.85 2p04 n GLU 96 N -5.17 0.12 -3.44 1.06 4.71 -1.16 -4.99 120.64 111.76 2p04 n GLU 96 Ca 0.02 0.04 -0.20 0.00 -0.01 0.00 0.00 57.16 57.01 2p04 n GLU 96 Cb 0.19 -1.58 0.07 0.00 -1.01 0.00 0.00 31.44 29.11 2p04 n GLU 96 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2p04 n GLU 97 N -1.75 -6.93 -4.28 3.49 1.02 0.10 -5.04 120.64 107.25 2p04 n GLU 97 Ca 0.05 0.76 -0.17 0.00 -0.02 0.00 0.00 57.16 57.77 2p04 n GLU 97 Cb 0.38 -5.57 -0.11 0.00 -0.02 0.00 0.00 31.44 26.13 2p04 n GLU 97 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2p04 s VAL 98 N -3.30 1.44 -0.16 2.62 -7.23 -1.04 -3.71 120.40 109.02 2p04 s VAL 98 Ca 0.40 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2p04 s VAL 98 Cb -0.17 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2p04 s VAL 98 CO 0.66 -0.54 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.25 2p04 s ILE 99 N -2.66 3.90 -0.15 -0.62 1.01 -0.57 0.24 121.20 122.34 2p04 s ILE 99 Ca 0.15 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2p04 s ILE 99 Cb -0.02 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2p04 s ILE 99 CO 0.04 0.48 0.46 -0.36 0.00 0.00 0.00 174.94 175.56 2p04 s PHE 100 N 0.49 3.45 -0.43 3.97 0.08 -0.50 -1.27 117.98 123.78 2p04 s PHE 100 Ca -0.03 0.79 -0.20 0.00 0.12 0.00 0.00 56.93 57.61 2p04 s PHE 100 Cb -0.14 -2.56 0.02 0.00 -0.57 0.00 0.00 43.02 39.78 2p04 s PHE 100 CO 0.03 0.09 0.60 0.12 -0.10 0.00 0.00 175.22 175.95 2p04 s PHE 101 N 0.94 3.09 -0.77 0.36 5.36 0.25 -1.29 117.98 125.93 2p04 s PHE 101 Ca 0.24 -0.10 -0.16 0.00 -0.96 0.00 0.00 56.93 55.95 2p04 s PHE 101 Cb -0.15 -3.25 0.17 0.00 -0.34 0.00 0.00 43.02 39.46 2p04 s PHE 101 CO 0.09 -0.82 0.79 -0.51 -1.46 0.00 0.00 175.22 173.31 2p04 s LEU 102 N 2.68 6.15 0.19 6.12 1.43 -0.71 -2.17 118.68 132.38 2p04 s LEU 102 Ca 0.21 -2.25 0.08 0.00 -1.03 0.00 0.00 54.13 51.13 2p04 s LEU 102 Cb -0.15 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 2p04 s LEU 102 CO 0.18 -0.79 -0.15 -0.83 0.23 0.00 0.00 176.35 174.98 2p04 s GLY 103 N 2.86 1.40 0.04 -3.19 0.00 -1.26 -3.15 107.32 104.02 2p04 s GLY 103 Ca 0.18 -1.59 -0.09 0.00 0.00 0.00 0.00 44.72 43.21 2p04 s GLY 103 CO -0.05 -1.67 0.19 -1.35 0.00 0.00 0.00 173.10 170.22 2p04 s SER 104 N -3.09 0.03 0.18 1.64 1.04 -0.87 -3.99 113.70 108.65 2p04 s SER 104 Ca 0.20 -0.37 -0.33 0.00 0.48 0.00 0.00 55.95 55.93 2p04 s SER 104 Cb -0.02 0.29 -0.13 0.00 0.10 0.00 0.00 66.02 66.25 2p04 s SER 104 CO 0.07 -0.56 1.65 -2.65 0.98 0.00 0.00 173.24 172.73 2p04 n PRO 105 N 0.69 2.43 -3.82 4.02 -0.02 -1.26 -0.58 135.00 136.46 2p04 n PRO 105 Ca -0.19 0.88 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 2p04 n PRO 105 Cb 0.59 -2.68 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 2p04 n PRO 105 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2p04 s TRP 106 N 1.10 3.53 0.00 6.00 1.48 -1.17 -4.82 118.94 125.05 2p04 s TRP 106 Ca 0.77 0.42 0.00 0.00 -1.06 0.00 0.00 56.10 56.23 2p04 s TRP 106 Cb -0.60 -1.89 0.00 0.00 -1.16 0.00 0.00 33.47 29.82 2p04 s TRP 106 CO 0.36 0.56 0.31 -0.89 -4.06 0.00 0.00 176.95 173.23