#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p04 n ALA 2 N 0.00 3.97 -1.07 3.04 0.00 -1.26 -5.13 120.51 120.07 2p04 n ALA 2 Ca 0.00 -4.59 -0.32 0.00 0.00 0.00 0.00 53.44 48.53 2p04 n ALA 2 Cb 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 19.45 18.71 2p04 n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2p04 s PRO 3 N -2.53 1.76 0.50 0.00 0.04 -1.26 -4.98 135.00 128.52 2p04 s PRO 3 Ca 0.41 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 2p04 s PRO 3 Cb 0.18 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.83 2p04 s PRO 3 CO -0.04 -2.07 1.12 -1.25 0.04 0.00 0.00 177.00 174.80 2p04 s PRO 4 N -4.52 3.60 0.00 0.56 0.04 -1.26 -4.97 135.00 128.45 2p04 s PRO 4 Ca 0.67 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2p04 s PRO 4 Cb -0.22 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2p04 s PRO 4 CO 0.53 -0.64 0.16 -2.39 0.04 0.00 0.00 177.00 174.70 2p04 n HIS 5 N -0.90 0.00 -4.70 0.56 1.44 -1.26 -5.06 115.22 105.30 2p04 n HIS 5 Ca 0.09 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.51 2p04 n HIS 5 Cb 0.50 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.47 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 -0.84 2.30 0.20 2.39 1.43 -1.26 -5.14 118.68 117.76 2p04 s LEU 6 Ca 0.00 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.39 2p04 s LEU 6 Cb 0.00 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 2p04 s LEU 6 CO 0.00 0.23 0.35 0.28 0.23 0.00 0.00 176.35 177.44 2p04 s THR 7 N -0.91 0.03 0.21 5.49 -1.32 -1.26 -5.14 115.64 112.74 2p04 s THR 7 Ca 0.13 -1.46 -0.30 0.00 -1.21 0.00 0.00 61.69 58.85 2p04 s THR 7 Cb -0.10 -2.08 -0.09 0.00 -1.51 0.00 0.00 72.50 68.73 2p04 s THR 7 CO 0.04 -0.12 1.21 -0.76 -2.21 0.00 0.00 174.62 172.78 2p04 s LEU 8 N -3.01 4.46 0.72 9.08 1.02 -1.26 -5.02 118.68 124.67 2p04 s LEU 8 Ca 0.22 2.30 -0.16 0.00 0.02 0.00 0.00 54.13 56.52 2p04 s LEU 8 Cb 0.02 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.65 2p04 s LEU 8 CO 0.05 -0.38 1.24 -0.94 0.02 0.00 0.00 176.35 176.34 2p04 s SER 9 N -0.01 4.15 0.42 2.29 1.04 -1.26 -4.76 113.70 115.56 2p04 s SER 9 Ca 0.52 2.46 0.23 0.00 0.48 0.00 0.00 55.95 59.64 2p04 s SER 9 Cb -0.34 -2.60 1.23 0.00 0.10 0.00 0.00 66.02 64.41 2p04 s SER 9 CO 0.39 -2.30 1.73 -0.65 0.98 0.00 0.00 173.24 173.38 2p04 h PRO 10 N -0.18 0.27 -0.28 4.02 0.11 -1.99 -0.58 132.00 133.36 2p04 h PRO 10 Ca -0.48 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 2p04 h PRO 10 Cb 1.31 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2p04 h PRO 10 CO 0.50 0.18 -0.53 1.49 -0.21 0.00 0.00 178.00 179.42 2p04 h GLU 11 N 0.27 0.81 -0.05 1.05 4.81 -2.00 -2.74 114.58 116.73 2p04 h GLU 11 Ca 0.66 -0.50 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 2p04 h GLU 11 Cb 1.88 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 2p04 h GLU 11 CO -0.32 1.13 -0.58 1.25 -0.73 0.00 0.00 179.01 179.76 2p04 h LEU 12 N 0.62 0.18 -0.57 1.64 5.85 -1.49 -2.89 115.31 118.66 2p04 h LEU 12 Ca 0.02 -0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 2p04 h LEU 12 Cb 1.12 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2p04 h LEU 12 CO 0.11 0.72 -0.08 0.25 -0.34 0.00 0.00 178.44 179.11 2p04 h LEU 13 N 0.12 1.05 -1.38 2.25 5.85 -1.23 0.12 115.31 122.09 2p04 h LEU 13 Ca -0.00 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 2p04 h LEU 13 Cb 1.06 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2p04 h LEU 13 CO 0.09 1.14 -0.29 0.00 -0.34 0.00 0.00 178.44 179.04 2p04 h ALA 14 N 0.95 1.28 0.21 1.25 0.00 -1.39 0.81 119.26 122.36 2p04 h ALA 14 Ca 0.15 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.49 2p04 h ALA 14 Cb 0.65 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.42 2p04 h ALA 14 CO 0.04 0.36 -1.38 0.87 0.00 0.00 0.00 179.25 179.14 2p04 h LYS 15 N 0.00 0.45 -0.30 0.00 1.57 -1.28 -3.20 116.57 113.81 2p04 h LYS 15 Ca -0.00 -0.77 -0.13 0.00 -1.87 0.00 0.00 60.65 57.87 2p04 h LYS 15 Cb 0.61 0.29 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2p04 h LYS 15 CO 0.04 1.37 -0.35 0.00 -0.57 0.00 0.00 179.45 179.94 2p04 h ALA 16 N 0.12 0.82 -2.99 3.86 0.00 -0.55 -3.35 119.26 117.17 2p04 h ALA 16 Ca -0.25 -0.42 -0.62 0.00 0.00 0.00 0.00 54.91 53.62 2p04 h ALA 16 Cb 2.02 -0.12 -0.41 0.00 0.00 0.00 0.00 17.79 19.28 2p04 h ALA 16 CO 0.22 0.64 -0.66 -0.06 0.00 0.00 0.00 179.25 179.39 2p04 s PHE 17 N -4.37 2.95 -1.07 0.00 0.08 0.26 -4.97 117.98 110.86 2p04 s PHE 17 Ca -0.08 -3.06 0.15 0.00 0.12 0.00 0.00 56.93 54.06 2p04 s PHE 17 Cb 0.12 -2.34 0.68 0.00 -0.57 0.00 0.00 43.02 40.92 2p04 s PHE 17 CO 0.83 -0.64 1.49 -0.35 -0.10 0.00 0.00 175.22 176.45 2p04 n PRO 18 N 2.41 0.04 -0.16 0.24 -0.04 -1.21 -2.33 135.00 133.94 2p04 n PRO 18 Ca 0.18 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2p04 n PRO 18 Cb 0.37 -1.50 0.16 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 -1.47 0.43 -1.51 0.54 3.72 -1.26 -1.97 117.46 115.95 2p04 n PHE 19 Ca 0.04 -0.34 -0.32 0.00 -0.05 0.00 0.00 57.45 56.78 2p04 n PHE 19 Cb 0.17 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.09 2.56 0.06 1.38 -3.43 -0.99 -4.64 115.29 109.14 2p04 s HIS 20 Ca 0.27 1.56 -0.02 0.00 -0.80 0.00 0.00 55.06 56.08 2p04 s HIS 20 Cb 0.15 -3.13 -0.04 0.00 -1.43 0.00 0.00 32.58 28.13 2p04 s HIS 20 CO 0.21 -1.80 0.00 -0.59 -2.00 0.00 0.00 174.74 170.56 2p04 s PHE 21 N -2.57 0.53 0.11 0.38 -0.12 -1.07 0.36 117.98 115.60 2p04 s PHE 21 Ca 0.65 -1.05 0.10 0.00 -0.05 0.00 0.00 56.93 56.58 2p04 s PHE 21 Cb -0.19 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.79 2p04 s PHE 21 CO 0.48 -0.41 -0.25 0.00 -0.05 0.00 0.00 175.22 174.99 2p04 s ALA 22 N -3.93 2.20 0.05 1.99 0.00 0.07 -0.17 121.76 121.96 2p04 s ALA 22 Ca 0.09 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 2p04 s ALA 22 Cb 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2p04 s ALA 22 CO -0.09 0.49 0.06 -0.59 0.00 0.00 0.00 175.76 175.64 2p04 s PHE 23 N -1.05 0.30 0.62 0.00 -0.12 -0.78 -0.72 117.98 116.23 2p04 s PHE 23 Ca 0.12 -0.70 0.08 0.00 -0.05 0.00 0.00 56.93 56.37 2p04 s PHE 23 Cb -0.10 -0.21 0.10 0.00 -0.63 0.00 0.00 43.02 42.18 2p04 s PHE 23 CO 0.05 -0.39 0.86 -1.54 -0.05 0.00 0.00 175.22 174.15 2p04 s SER 24 N -2.46 4.88 0.55 1.98 1.04 -0.94 -1.75 113.70 116.99 2p04 s SER 24 Ca -0.00 -0.80 0.22 0.00 0.48 0.00 0.00 55.95 55.84 2p04 s SER 24 Cb 0.02 0.35 1.49 0.00 0.10 0.00 0.00 66.02 67.97 2p04 s SER 24 CO -0.07 -1.51 2.19 0.03 0.98 0.00 0.00 173.24 174.85 2p04 h ARG 25 N -0.02 0.00 0.00 4.02 3.08 -1.91 0.16 114.38 119.71 2p04 h ARG 25 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2p04 h ARG 25 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 2p04 h ARG 25 CO 0.40 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.57 2p04 n ASN 26 N -4.27 0.00 0.00 7.04 6.94 -1.26 -4.75 115.26 118.96 2p04 n ASN 26 Ca -0.03 -1.51 0.00 0.00 -0.02 0.00 0.00 54.58 53.02 2p04 n ASN 26 Cb 0.10 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 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 -0.70 -0.92 -2.91 -3.83 1.74 0.55 -4.98 116.66 105.60 2p04 n ARG 27 Ca 0.09 0.23 -0.37 0.00 -0.77 0.00 0.00 57.85 57.04 2p04 n ARG 27 Cb 0.04 -4.05 -0.06 0.00 -1.02 0.00 0.00 32.46 27.37 2p04 n ARG 27 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2p04 s GLU 28 N -1.04 4.47 0.01 5.56 -1.05 -1.26 -1.48 118.70 123.91 2p04 s GLU 28 Ca 0.00 1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 55.67 2p04 s GLU 28 Cb 0.00 -2.87 -0.04 0.00 -0.44 0.00 0.00 34.13 30.78 2p04 s GLU 28 CO 0.00 0.35 1.12 0.42 0.95 0.00 0.00 175.26 178.09 2p04 s ILE 29 N -1.54 4.39 -0.10 1.83 1.01 0.51 -2.21 121.20 125.09 2p04 s ILE 29 Ca 0.46 1.71 0.13 0.00 0.00 0.00 0.00 60.65 62.95 2p04 s ILE 29 Cb -0.18 -4.10 -0.18 0.00 0.01 0.00 0.00 42.46 38.01 2p04 s ILE 29 CO 0.23 0.10 0.13 1.33 0.00 0.00 0.00 174.94 176.73 2p04 n VAL 30 N 4.06 0.65 -3.56 2.92 0.24 0.10 0.03 118.33 122.77 2p04 n VAL 30 Ca 0.08 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.77 2p04 n VAL 30 Cb 0.48 -0.40 -0.04 0.00 -1.47 0.00 0.00 33.84 32.41 2p04 n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2p04 s GLN 31 N -2.52 1.13 0.14 7.34 -2.07 -1.20 -4.88 119.66 117.60 2p04 s GLN 31 Ca -0.06 -0.58 0.01 0.00 -1.82 0.00 0.00 55.36 52.90 2p04 s GLN 31 Cb 0.05 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.44 2p04 s GLN 31 CO 0.56 -0.46 0.00 0.95 -1.32 0.00 0.00 175.29 175.03 2p04 s THR 32 N -3.65 0.48 0.86 3.63 -4.23 -1.26 -0.76 115.64 110.71 2p04 s THR 32 Ca 0.01 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.47 2p04 s THR 32 Cb 0.01 -1.98 0.11 0.00 1.34 0.00 0.00 72.50 71.98 2p04 s THR 32 CO -0.11 -0.58 1.13 -0.83 -0.54 0.00 0.00 174.62 173.69 2p04 s GLY 33 N -3.10 1.59 0.08 3.99 0.00 0.16 -4.92 107.32 105.12 2p04 s GLY 33 Ca 0.21 -0.45 -0.31 0.00 0.00 0.00 0.00 44.72 44.16 2p04 s GLY 33 CO 0.01 0.05 1.64 0.83 0.00 0.00 0.00 173.10 175.63 2p04 h GLU 34 N -1.29 -0.75 -0.56 2.90 5.08 -1.56 -3.06 114.58 115.33 2p04 h GLU 34 Ca -0.49 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2p04 h GLU 34 Cb 1.31 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.70 2p04 h GLU 34 CO 0.62 -0.50 0.28 0.28 -1.00 0.00 0.00 179.01 178.69 2p04 h VAL 35 N -0.78 1.18 -0.55 3.13 2.07 -1.76 -2.64 116.25 116.90 2p04 h VAL 35 Ca -0.07 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2p04 h VAL 35 Cb 0.62 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2p04 h VAL 35 CO 0.09 0.21 0.28 0.25 0.02 0.00 0.00 177.57 178.43 2p04 h LEU 36 N 0.79 0.41 -1.44 2.57 5.85 -1.29 -2.01 115.31 120.19 2p04 h LEU 36 Ca 0.20 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 2p04 h LEU 36 Cb 0.07 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2p04 h LEU 36 CO -0.03 0.27 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.74 2p04 h GLU 37 N 0.54 0.00 -0.20 1.25 4.39 -1.45 -3.10 114.58 116.02 2p04 h GLU 37 Ca 0.25 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.79 2p04 h GLU 37 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2p04 h GLU 37 CO -0.17 0.28 -0.52 -0.09 -1.16 0.00 0.00 179.01 177.35 2p04 h ARG 38 N 0.00 0.56 -0.64 2.33 2.43 -1.29 -3.20 114.38 114.57 2p04 h ARG 38 Ca -0.00 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2p04 h ARG 38 Cb 0.55 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2p04 h ARG 38 CO 0.04 0.94 0.00 0.44 -1.51 0.00 0.00 179.97 179.88 2p04 n ILE 39 N -3.97 0.86 -3.77 1.20 -5.35 -0.90 -4.88 119.36 102.55 2p04 n ILE 39 Ca -0.03 -0.86 -0.36 0.00 -0.27 0.00 0.00 62.75 61.23 2p04 n ILE 39 Cb 0.59 0.43 -0.11 0.00 -1.74 0.00 0.00 39.64 38.80 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 -1.00 5.52 0.38 7.28 0.15 -1.18 -4.99 113.70 119.87 2p04 s SER 40 Ca 0.43 -0.08 0.12 0.00 0.70 0.00 0.00 55.95 57.12 2p04 s SER 40 Cb 0.22 -1.99 0.92 0.00 -1.71 0.00 0.00 66.02 63.46 2p04 s SER 40 CO 0.29 0.01 1.87 1.55 1.20 0.00 0.00 173.24 178.16 2p04 h PRO 41 N 7.89 0.56 -5.96 5.44 0.13 -1.90 -3.42 132.00 134.75 2p04 h PRO 41 Ca -0.37 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 2p04 h PRO 41 Cb 1.18 -0.13 -0.23 0.00 0.13 0.00 0.00 31.00 31.95 2p04 h PRO 41 CO 0.60 0.37 -0.82 -1.83 -0.23 0.00 0.00 178.00 176.09 2p04 s GLU 42 N -5.58 1.15 0.16 0.86 -1.05 -1.26 -5.12 118.70 107.85 2p04 s GLU 42 Ca -0.09 -1.03 -0.33 0.00 -0.15 0.00 0.00 54.97 53.36 2p04 s GLU 42 Cb 0.22 -1.31 -0.16 0.00 -0.44 0.00 0.00 34.13 32.44 2p04 s GLU 42 CO 0.78 0.32 1.18 -2.30 0.95 0.00 0.00 175.26 176.19 2p04 n PRO 43 N 1.42 1.13 -0.07 -4.83 -0.02 -1.26 -4.93 135.00 126.45 2p04 n PRO 43 Ca -0.19 0.40 -0.18 0.00 -2.02 0.00 0.00 63.50 61.52 2p04 n PRO 43 Cb 0.54 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 31.96 2p04 n PRO 43 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2p04 n LEU 44 N 2.09 2.38 -4.71 2.45 4.77 -1.26 -4.75 117.00 117.97 2p04 n LEU 44 Ca 0.16 0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 2p04 n LEU 44 Cb 0.23 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2p04 n LEU 44 CO 0.61 0.82 1.26 0.52 -1.33 0.00 0.00 177.39 179.27 2p04 n VAL 45 N -3.28 0.37 -0.18 4.08 0.31 -1.26 -0.80 118.33 117.57 2p04 n VAL 45 Ca -0.37 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2p04 n VAL 45 Cb 1.03 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2p04 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2p04 n GLY 46 N 3.17 1.53 3.92 2.92 0.00 0.10 -4.96 105.19 111.86 2p04 n GLY 46 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.39 3.57 0.27 1.61 -0.14 0.02 -4.76 119.74 119.92 2p04 s LYS 47 Ca 0.00 -0.20 -0.29 0.00 -1.36 0.00 0.00 55.97 54.11 2p04 s LYS 47 Cb 0.00 -2.78 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 2p04 s LYS 47 CO 0.00 0.35 1.12 -0.51 -0.76 0.00 0.00 175.35 175.56 2p04 s LEU 48 N -3.31 4.53 0.23 3.17 1.43 -1.26 -0.37 118.68 123.10 2p04 s LEU 48 Ca 0.40 2.29 -0.07 0.00 -1.03 0.00 0.00 54.13 55.73 2p04 s LEU 48 Cb -0.11 -3.63 0.31 0.00 0.03 0.00 0.00 46.19 42.80 2p04 s LEU 48 CO 0.29 -0.20 1.81 0.16 0.23 0.00 0.00 176.35 178.64 2p04 h ILE 49 N 3.18 0.95 0.00 -0.59 3.07 -1.61 -2.51 117.51 120.00 2p04 h ILE 49 Ca -0.47 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.69 2p04 h ILE 49 Cb 1.21 0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.89 2p04 h ILE 49 CO 0.68 0.14 0.00 -1.84 -1.05 0.00 0.00 178.15 176.07 2p04 n GLU 50 N -4.76 0.45 0.00 0.16 0.00 -1.26 -0.96 120.64 114.26 2p04 n GLU 50 Ca 0.11 0.05 0.13 0.00 0.00 0.00 0.00 57.16 57.46 2p04 n GLU 50 Cb 0.22 -1.50 0.47 0.00 0.00 0.00 0.00 31.44 30.63 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 -1.16 0.63 0.00 3.44 6.02 -0.95 -4.47 117.38 120.90 2p04 n GLN 51 Ca 0.12 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2p04 n GLN 51 Cb 0.12 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 -0.92 0.00 -4.12 1.08 8.25 -0.14 -4.95 115.22 114.42 2p04 n HIS 52 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.44 2p04 n HIS 52 Cb 0.32 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.63 0.87 0.14 4.41 0.08 -0.31 -0.46 117.98 122.08 2p04 s PHE 53 Ca 0.00 -0.60 0.06 0.00 0.12 0.00 0.00 56.93 56.51 2p04 s PHE 53 Cb 0.00 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.91 2p04 s PHE 53 CO 0.00 -0.05 -0.13 1.14 -0.10 0.00 0.00 175.22 176.07 2p04 s GLN 54 N -2.24 1.07 -0.21 0.44 -2.07 -0.29 -4.38 119.66 112.00 2p04 s GLN 54 Ca -0.02 -1.33 -0.19 0.00 -1.82 0.00 0.00 55.36 52.00 2p04 s GLN 54 Cb -0.06 -0.87 -0.03 0.00 -1.09 0.00 0.00 33.01 30.96 2p04 s GLN 54 CO -0.00 0.15 0.54 0.42 -1.32 0.00 0.00 175.29 175.08 2p04 s ILE 55 N -2.50 5.09 -0.14 3.63 -1.09 -1.26 -0.71 121.20 124.22 2p04 s ILE 55 Ca 0.12 0.99 0.01 0.00 -2.23 0.00 0.00 60.65 59.54 2p04 s ILE 55 Cb -0.03 -3.86 -0.24 0.00 -1.58 0.00 0.00 42.46 36.76 2p04 s ILE 55 CO 0.03 0.15 0.28 0.59 -1.23 0.00 0.00 174.94 174.76 2p04 n ASN 56 N 4.92 1.66 -3.77 3.58 3.02 0.23 -4.89 115.26 120.01 2p04 n ASN 56 Ca -0.04 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 2p04 n ASN 56 Cb 0.50 -0.45 -0.11 0.00 -0.61 0.00 0.00 39.78 39.11 2p04 n ASN 56 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2p04 s ARG 57 N -2.55 0.32 1.00 3.52 3.52 -1.05 -4.51 118.95 119.21 2p04 s ARG 57 Ca -0.20 0.41 -0.12 0.00 -0.13 0.00 0.00 55.73 55.68 2p04 s ARG 57 Cb 0.07 0.14 0.19 0.00 -1.56 0.00 0.00 34.95 33.80 2p04 s ARG 57 CO 0.75 -0.05 1.10 -1.25 -0.81 0.00 0.00 175.30 175.04 2p04 s PRO 58 N 0.23 0.41 -0.91 5.12 0.04 -1.25 -1.43 135.00 137.22 2p04 s PRO 58 Ca -0.01 0.45 -0.24 0.00 0.04 0.00 0.00 61.00 61.24 2p04 s PRO 58 Cb -0.02 -1.74 0.04 0.00 0.04 0.00 0.00 34.50 32.82 2p04 s PRO 58 CO -0.00 -2.73 1.37 0.15 0.04 0.00 0.00 177.00 175.83 2p04 s LYS 59 N -5.01 3.43 0.12 4.56 -0.14 -1.26 -4.92 119.74 116.52 2p04 s LYS 59 Ca 0.65 -0.79 -0.02 0.00 -1.36 0.00 0.00 55.97 54.45 2p04 s LYS 59 Cb -0.18 -4.89 -0.03 0.00 -1.68 0.00 0.00 37.83 31.05 2p04 s LYS 59 CO 0.57 -2.17 0.08 0.96 -0.76 0.00 0.00 175.35 174.03 2p04 s ILE 60 N 5.21 0.11 0.73 2.17 -4.36 -1.26 -5.16 121.20 118.65 2p04 s ILE 60 Ca 0.41 -1.81 -0.11 0.00 -0.26 0.00 0.00 60.65 58.88 2p04 s ILE 60 Cb -0.03 -1.93 0.03 0.00 1.25 0.00 0.00 42.46 41.78 2p04 s ILE 60 CO -0.00 -0.52 1.07 -0.76 0.24 0.00 0.00 174.94 174.97 2p04 s LEU 61 N -3.02 3.00 -1.33 0.37 1.43 -1.26 -4.89 118.68 112.97 2p04 s LEU 61 Ca 0.20 1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 54.83 2p04 s LEU 61 Cb 0.07 -4.38 0.12 0.00 0.03 0.00 0.00 46.19 42.02 2p04 s LEU 61 CO -0.00 -1.67 2.32 0.00 0.23 0.00 0.00 176.35 177.23 2p04 n ILE 62 N -3.27 5.02 -4.70 -0.59 3.06 -1.26 -4.70 119.36 112.92 2p04 n ILE 62 Ca 0.08 -4.24 -0.28 0.00 -2.50 0.00 0.00 62.75 55.81 2p04 n ILE 62 Cb 0.54 -2.16 -0.14 0.00 0.54 0.00 0.00 39.64 38.42 2p04 n ILE 62 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2p04 s ASP 63 N 0.57 2.99 0.29 9.51 -4.77 -1.26 -4.95 116.67 119.05 2p04 s ASP 63 Ca 0.52 -0.61 0.02 0.00 -3.30 0.00 0.00 52.55 49.18 2p04 s ASP 63 Cb 0.17 -0.24 0.59 0.00 -1.09 0.00 0.00 42.92 42.34 2p04 s ASP 63 CO -0.07 0.21 1.83 0.15 0.70 0.00 0.00 175.17 177.98 2p04 h PHE 64 N 4.57 1.14 -0.19 2.11 3.57 -1.91 -2.27 116.94 123.96 2p04 h PHE 64 Ca -0.46 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 60.87 2p04 h PHE 64 Cb 1.15 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2p04 h PHE 64 CO 0.52 0.42 -0.67 0.22 -2.23 0.00 0.00 178.31 176.56 2p04 h ASP 65 N 0.96 0.87 -0.14 0.41 3.58 -1.96 -0.31 116.42 119.82 2p04 h ASP 65 Ca 0.51 -0.52 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2p04 h ASP 65 Cb 0.56 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2p04 h ASP 65 CO -0.29 1.31 0.06 0.00 -2.88 0.00 0.00 179.24 177.44 2p04 h ALA 66 N 0.69 0.19 -0.70 -0.78 0.00 -1.81 -2.63 119.26 114.22 2p04 h ALA 66 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2p04 h ALA 66 Cb 1.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2p04 h ALA 66 CO 0.14 -0.22 0.46 0.82 0.00 0.00 0.00 179.25 180.45 2p04 h ILE 67 N 0.07 1.18 -0.05 0.00 2.04 -1.41 -1.29 117.51 118.07 2p04 h ILE 67 Ca 0.05 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2p04 h ILE 67 Cb 0.18 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2p04 h ILE 67 CO -0.00 0.18 0.16 -1.28 0.00 0.00 0.00 178.15 177.21 2p04 h SER 68 N 0.95 0.00 -0.06 1.72 0.87 -0.92 -2.19 113.55 113.92 2p04 h SER 68 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2p04 h SER 68 Cb -0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2p04 h SER 68 CO -0.05 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.54 2p04 n LYS 69 N -3.22 2.13 -2.88 2.24 5.02 -0.49 -4.27 118.16 116.69 2p04 n LYS 69 Ca -0.01 -1.65 -0.31 0.00 -2.02 0.00 0.00 58.31 54.31 2p04 n LYS 69 Cb 0.24 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 2p04 n LYS 69 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2p04 n GLN 70 N 0.98 3.83 0.10 1.97 1.13 -0.82 -4.91 117.38 119.67 2p04 n GLN 70 Ca 0.16 -4.80 0.04 0.00 -1.94 0.00 0.00 57.00 50.46 2p04 n GLN 70 Cb 0.52 -2.31 0.47 0.00 0.11 0.00 0.00 30.24 29.03 2p04 n GLN 70 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2p04 h PRO 71 N 3.41 0.32 -0.00 -1.09 0.13 -1.78 -2.98 132.00 130.01 2p04 h PRO 71 Ca 0.24 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2p04 h PRO 71 Cb 0.46 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2p04 h PRO 71 CO 0.93 0.27 -0.84 0.54 -0.23 0.00 0.00 178.00 178.67 2p04 n ARG 72 N -4.43 0.71 -2.09 0.86 5.12 -1.26 -4.72 116.66 110.84 2p04 n ARG 72 Ca 0.00 -0.15 -0.35 0.00 -1.93 0.00 0.00 57.85 55.43 2p04 n ARG 72 Cb 0.13 -1.42 0.02 0.00 -1.16 0.00 0.00 32.46 30.03 2p04 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2p04 s ALA 73 N -2.75 2.60 -0.17 7.54 0.00 -1.13 -5.00 121.76 122.86 2p04 s ALA 73 Ca 0.09 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 52.64 2p04 s ALA 73 Cb 0.15 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 2p04 s ALA 73 CO 0.75 -0.98 0.68 -1.17 0.00 0.00 0.00 175.76 175.04 2p04 s LEU 74 N -4.10 4.19 -0.09 0.00 2.96 -1.26 -4.62 118.68 115.77 2p04 s LEU 74 Ca 0.73 0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 55.51 2p04 s LEU 74 Cb -0.25 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.41 2p04 s LEU 74 CO 0.31 -0.26 0.23 -0.36 -1.32 0.00 0.00 176.35 174.95 2p04 s PHE 75 N 1.71 3.63 -0.15 5.38 0.08 -0.23 -3.86 117.98 124.54 2p04 s PHE 75 Ca 0.32 0.67 0.00 0.00 0.12 0.00 0.00 56.93 58.04 2p04 s PHE 75 Cb -0.16 -2.07 0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2p04 s PHE 75 CO 0.12 0.67 -0.13 0.42 -0.10 0.00 0.00 175.22 176.20 2p04 s ILE 76 N -0.92 1.49 0.08 0.64 1.01 -0.51 -0.94 121.20 122.05 2p04 s ILE 76 Ca 0.17 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.29 2p04 s ILE 76 Cb -0.13 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2p04 s ILE 76 CO 0.07 0.42 -0.15 -0.76 0.00 0.00 0.00 174.94 174.51 2p04 s LEU 77 N 1.52 2.77 -0.17 2.97 1.02 0.39 -0.60 118.68 126.57 2p04 s LEU 77 Ca 0.05 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.75 2p04 s LEU 77 Cb -0.13 -1.62 0.00 0.00 0.02 0.00 0.00 46.19 44.47 2p04 s LEU 77 CO -0.10 0.22 -0.14 -0.70 0.02 0.00 0.00 176.35 175.65 2p04 s GLU 78 N -1.84 3.20 -0.27 1.70 2.12 0.12 -0.13 118.70 123.60 2p04 s GLU 78 Ca 0.17 -0.74 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 2p04 s GLU 78 Cb -0.11 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.56 2p04 s GLU 78 CO 0.09 -0.08 1.82 0.12 -0.54 0.00 0.00 175.26 176.67 2p04 s PHE 79 N 1.06 1.76 0.46 5.30 5.36 0.30 -1.13 117.98 131.09 2p04 s PHE 79 Ca -0.01 0.53 0.36 0.00 -0.96 0.00 0.00 56.93 56.86 2p04 s PHE 79 Cb -0.15 -4.07 1.95 0.00 -0.34 0.00 0.00 43.02 40.41 2p04 s PHE 79 CO -0.04 -3.25 2.09 -0.07 -1.46 0.00 0.00 175.22 172.49 2p04 h LEU 80 N 13.22 0.00 0.00 6.12 3.38 -1.09 -0.31 115.31 136.64 2p04 h LEU 80 Ca -0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2p04 h LEU 80 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2p04 h LEU 80 CO 1.01 0.00 -0.00 -0.74 0.09 0.00 0.00 178.44 178.80 2p04 h HIS 81 N 0.00 -0.00 0.00 1.13 2.76 -1.89 -3.40 115.15 113.75 2p04 h HIS 81 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2p04 h HIS 81 Cb 0.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.12 2p04 h HIS 81 CO 0.00 0.01 -0.66 0.27 -1.30 0.00 0.00 177.93 176.26 2p04 n ASN 82 N -4.78 0.66 0.00 3.26 0.23 -1.19 -4.98 115.26 108.45 2p04 n ASN 82 Ca -0.00 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.22 2p04 n ASN 82 Cb 0.01 1.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.71 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 1.33 0.79 3.74 4.83 0.00 -0.13 -5.02 105.19 110.74 2p04 n GLY 83 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2p04 n GLY 83 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2p04 n MET 84 N -2.19 2.04 -4.78 1.61 0.00 -1.25 -4.69 117.12 107.86 2p04 n MET 84 Ca 0.00 0.73 -0.33 0.00 0.00 0.00 0.00 57.70 58.10 2p04 n MET 84 Cb 0.00 -2.56 -0.13 0.00 0.00 0.00 0.00 33.22 30.53 2p04 n MET 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2p04 s GLN 85 N -2.49 3.01 -0.13 2.12 -0.21 -1.26 -0.54 119.66 120.15 2p04 s GLN 85 Ca 0.64 -0.67 -0.00 0.00 0.02 0.00 0.00 55.36 55.35 2p04 s GLN 85 Cb -0.46 -2.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 2p04 s GLN 85 CO 0.56 0.41 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.51 2p04 s LEU 86 N -0.17 2.75 -0.06 2.90 1.43 0.81 -4.11 118.68 122.23 2p04 s LEU 86 Ca 0.00 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2p04 s LEU 86 Cb -0.13 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2p04 s LEU 86 CO 0.03 0.16 -0.22 -0.54 0.23 0.00 0.00 176.35 176.01 2p04 s LYS 87 N 0.37 2.54 0.00 1.70 1.02 -0.14 -0.46 119.74 124.76 2p04 s LYS 87 Ca -0.10 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2p04 s LYS 87 Cb -0.16 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 2p04 s LYS 87 CO 0.05 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 2p04 n GLY 88 N 2.79 -0.71 3.72 -3.33 0.00 -0.11 -2.18 105.19 105.36 2p04 n GLY 88 Ca -0.17 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 2p04 n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2p04 s GLN 89 N -0.66 2.76 -0.22 1.61 0.74 -1.15 -1.06 119.66 121.68 2p04 s GLN 89 Ca 0.00 -0.69 -0.07 0.00 0.05 0.00 0.00 55.36 54.66 2p04 s GLN 89 Cb 0.00 -2.66 -0.03 0.00 1.10 0.00 0.00 33.01 31.42 2p04 s GLN 89 CO 0.00 0.59 0.05 -1.64 -0.55 0.00 0.00 175.29 173.74 2p04 s MET 90 N -2.00 3.74 -0.15 1.67 -1.94 -1.26 -1.39 119.30 117.96 2p04 s MET 90 Ca 0.24 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 2p04 s MET 90 Cb -0.12 -3.24 0.03 0.00 2.01 0.00 0.00 34.83 33.51 2p04 s MET 90 CO 0.16 -0.01 -0.12 -1.64 -0.01 0.00 0.00 175.02 173.40 2p04 s MET 91 N 1.13 2.10 -0.05 2.03 -1.94 -0.25 -4.75 119.30 117.57 2p04 s MET 91 Ca 0.04 -0.57 -0.24 0.00 -1.71 0.00 0.00 55.69 53.21 2p04 s MET 91 Cb -0.14 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 2p04 s MET 91 CO 0.03 -0.29 0.74 -0.47 -0.01 0.00 0.00 175.02 175.02 2p04 s TYR 92 N 1.51 3.60 -0.37 -0.03 5.04 -1.26 -1.08 117.35 124.75 2p04 s TYR 92 Ca 0.04 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.99 2p04 s TYR 92 Cb -0.14 -2.84 0.10 0.00 0.35 0.00 0.00 41.96 39.43 2p04 s TYR 92 CO -0.10 0.09 0.12 -1.14 -1.34 0.00 0.00 175.55 173.19 2p04 s GLN 93 N 0.74 1.81 0.39 4.97 2.00 0.75 -5.00 119.66 125.33 2p04 s GLN 93 Ca 0.39 -1.80 0.15 0.00 -2.00 0.00 0.00 55.36 52.10 2p04 s GLN 93 Cb -0.18 -3.39 1.00 0.00 0.80 0.00 0.00 33.01 31.23 2p04 s GLN 93 CO 0.20 -0.98 1.84 -1.35 -0.50 0.00 0.00 175.29 174.49 2p04 h PRO 94 N 7.86 0.49 0.02 1.67 0.11 -1.96 -0.83 132.00 139.36 2p04 h PRO 94 Ca -0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2p04 h PRO 94 Cb 1.04 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2p04 h PRO 94 CO 0.61 0.32 -0.01 1.05 -0.21 0.00 0.00 178.00 179.76 2p04 h GLU 95 N 0.50 -0.03 0.00 1.05 4.11 -1.95 -3.15 114.58 115.11 2p04 h GLU 95 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 2p04 h GLU 95 Cb 1.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2p04 h GLU 95 CO -0.22 0.68 0.00 -0.85 0.07 0.00 0.00 179.01 178.68 2p04 n GLU 96 N -4.71 0.15 -3.55 1.06 0.00 -1.24 -4.94 120.64 107.42 2p04 n GLU 96 Ca -0.08 0.04 -0.19 0.00 0.00 0.00 0.00 57.16 56.93 2p04 n GLU 96 Cb 0.35 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.36 2p04 n GLU 96 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2p04 n GLU 97 N -1.42 -6.02 -4.36 3.44 4.07 -0.34 -5.02 120.64 110.99 2p04 n GLU 97 Ca 0.09 0.76 -0.19 0.00 -0.06 0.00 0.00 57.16 57.76 2p04 n GLU 97 Cb 0.27 -5.61 -0.10 0.00 -0.06 0.00 0.00 31.44 25.94 2p04 n GLU 97 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2p04 s VAL 98 N -3.47 1.51 -0.16 6.31 -7.23 -1.04 -3.99 120.40 112.33 2p04 s VAL 98 Ca 0.03 -2.13 -0.01 0.00 -1.81 0.00 0.00 61.98 58.07 2p04 s VAL 98 Cb -0.02 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2p04 s VAL 98 CO 0.76 -0.46 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.33 2p04 s ILE 99 N -3.11 2.86 -0.19 -0.62 1.01 -0.72 -0.18 121.20 120.26 2p04 s ILE 99 Ca 0.25 -0.70 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 2p04 s ILE 99 Cb 0.02 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2p04 s ILE 99 CO 0.08 0.50 0.39 -0.36 0.00 0.00 0.00 174.94 175.55 2p04 s PHE 100 N 0.82 3.40 -0.45 3.97 0.08 -0.24 -1.87 117.98 123.69 2p04 s PHE 100 Ca -0.04 0.64 -0.21 0.00 0.12 0.00 0.00 56.93 57.44 2p04 s PHE 100 Cb -0.15 -2.50 0.03 0.00 -0.57 0.00 0.00 43.02 39.83 2p04 s PHE 100 CO 0.00 0.05 0.66 0.12 -0.10 0.00 0.00 175.22 175.95 2p04 s PHE 101 N 1.11 3.05 -0.84 0.36 5.36 0.75 -1.09 117.98 126.68 2p04 s PHE 101 Ca 0.19 -0.07 -0.11 0.00 -0.96 0.00 0.00 56.93 55.98 2p04 s PHE 101 Cb -0.14 -3.41 0.22 0.00 -0.34 0.00 0.00 43.02 39.34 2p04 s PHE 101 CO 0.08 -0.91 0.77 -0.51 -1.46 0.00 0.00 175.22 173.18 2p04 s LEU 102 N 2.88 6.36 0.40 6.12 1.43 -0.49 -2.61 118.68 132.78 2p04 s LEU 102 Ca 0.23 -2.93 0.04 0.00 -1.03 0.00 0.00 54.13 50.44 2p04 s LEU 102 Cb -0.14 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 2p04 s LEU 102 CO 0.19 -0.47 0.16 -0.83 0.23 0.00 0.00 176.35 175.63 2p04 s GLY 103 N 1.63 2.60 0.22 -3.19 0.00 -1.26 -2.95 107.32 104.36 2p04 s GLY 103 Ca 0.20 -1.34 -0.23 0.00 0.00 0.00 0.00 44.72 43.36 2p04 s GLY 103 CO -0.08 -1.77 0.86 -1.35 0.00 0.00 0.00 173.10 170.76 2p04 s SER 104 N -3.57 -0.19 0.00 1.64 1.04 -0.93 -4.13 113.70 107.56 2p04 s SER 104 Ca 0.26 -0.54 0.20 0.00 0.48 0.00 0.00 55.95 56.36 2p04 s SER 104 Cb 0.02 0.60 1.22 0.00 0.10 0.00 0.00 66.02 67.96 2p04 s SER 104 CO 0.17 -1.12 1.60 -2.65 0.98 0.00 0.00 173.24 172.22