#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1x h ASN 2 N 0.00 0.00 -0.30 6.12 2.35 -2.04 -3.21 115.58 118.50 2p1x h ASN 2 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2p1x h ASN 2 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2p1x h ASN 2 CO 0.00 0.91 0.09 0.44 -1.65 0.00 0.00 177.43 177.22 2p1x h ASP 3 N 0.00 0.44 -0.46 5.81 3.45 -1.99 -0.23 116.42 123.43 2p1x h ASP 3 Ca -0.09 -0.21 -0.08 0.00 0.43 0.00 0.00 57.03 57.08 2p1x h ASP 3 Cb 1.78 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 40.42 2p1x h ASP 3 CO 0.10 0.53 -0.03 0.77 -1.57 0.00 0.00 179.24 179.04 2p1x h SER 4 N 0.32 0.82 -0.78 6.45 4.64 -2.00 -1.17 113.55 121.84 2p1x h SER 4 Ca 0.10 -0.32 0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2p1x h SER 4 Cb 0.25 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 2p1x h SER 4 CO -0.00 0.95 0.50 -0.33 -0.87 0.00 0.00 176.83 177.07 2p1x h GLU 5 N 0.68 0.95 -0.40 4.77 4.39 -1.51 0.09 114.58 123.54 2p1x h GLU 5 Ca 0.13 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2p1x h GLU 5 Cb 0.54 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2p1x h GLU 5 CO 0.03 0.63 0.11 0.35 -1.16 0.00 0.00 179.01 178.97 2p1x h PHE 6 N 0.97 0.66 -0.69 4.33 3.57 -0.80 -1.04 116.94 123.94 2p1x h PHE 6 Ca 0.31 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2p1x h PHE 6 Cb -0.01 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 2p1x h PHE 6 CO -0.03 0.62 0.33 0.45 -2.23 0.00 0.00 178.31 177.45 2p1x h HIS 7 N 0.50 1.01 -0.14 0.41 3.86 -0.68 0.70 115.15 120.82 2p1x h HIS 7 Ca 0.13 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 2p1x h HIS 7 Cb 0.28 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 2p1x h HIS 7 CO 0.01 0.75 -0.03 -0.09 0.86 0.00 0.00 177.93 179.44 2p1x h ARG 8 N 0.97 0.01 -0.10 2.45 2.43 -0.80 -0.46 114.38 118.88 2p1x h ARG 8 Ca 0.24 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 2p1x h ARG 8 Cb 0.13 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2p1x h ARG 8 CO -0.03 0.01 -0.86 -0.07 -1.51 0.00 0.00 179.97 177.51 2p1x h LEU 9 N 0.01 0.93 -0.51 3.80 4.07 -0.99 -2.20 115.31 120.42 2p1x h LEU 9 Ca 0.07 -0.67 -0.08 0.00 0.08 0.00 0.00 57.88 57.28 2p1x h LEU 9 Cb 0.10 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 2p1x h LEU 9 CO -0.14 1.46 0.01 0.00 -1.08 0.00 0.00 178.44 178.69 2p1x h ALA 10 N 0.50 0.69 -1.01 1.53 0.00 -0.86 -1.01 119.26 119.09 2p1x h ALA 10 Ca -0.08 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.58 2p1x h ALA 10 Cb 1.50 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2p1x h ALA 10 CO 0.17 0.50 0.66 -0.44 0.00 0.00 0.00 179.25 180.15 2p1x h ASP 11 N 0.77 1.11 -0.67 0.00 5.19 -0.98 -0.62 116.42 121.21 2p1x h ASP 11 Ca 0.15 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.50 2p1x h ASP 11 Cb 0.51 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 2p1x h ASP 11 CO 0.03 0.76 0.25 -0.61 -3.12 0.00 0.00 179.24 176.54 2p1x h GLN 12 N 1.28 1.02 -0.25 3.56 5.75 -1.15 -1.96 115.11 123.35 2p1x h GLN 12 Ca 0.40 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2p1x h GLN 12 Cb -0.01 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 2p1x h GLN 12 CO -0.12 0.86 0.15 1.25 -2.65 0.00 0.00 178.83 178.32 2p1x h LEU 13 N 0.96 0.30 -0.56 -2.39 5.85 -0.59 -0.72 115.31 118.16 2p1x h LEU 13 Ca 0.22 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2p1x h LEU 13 Cb 0.24 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2p1x h LEU 13 CO -0.01 0.27 0.26 -0.50 -0.34 0.00 0.00 178.44 178.11 2p1x h TRP 14 N 0.32 0.47 -0.32 1.25 -0.00 -1.02 -1.46 115.95 115.19 2p1x h TRP 14 Ca 0.09 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.96 2p1x h TRP 14 Cb 0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.04 2p1x h TRP 14 CO -0.05 0.20 0.03 1.25 -0.00 0.00 0.00 178.44 179.87 2p1x h LEU 15 N 0.49 0.53 -0.60 -4.49 5.85 -1.05 -0.64 115.31 115.40 2p1x h LEU 15 Ca 0.26 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.77 2p1x h LEU 15 Cb 0.22 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2p1x h LEU 15 CO -0.21 0.68 0.28 0.74 -0.34 0.00 0.00 178.44 179.59 2p1x h THR 16 N 0.36 0.87 0.10 1.05 2.02 -0.77 0.18 112.91 116.71 2p1x h THR 16 Ca 0.09 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2p1x h THR 16 Cb 0.39 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2p1x h THR 16 CO 0.01 0.09 -0.05 0.40 0.37 0.00 0.00 175.52 176.35 2p1x h ILE 17 N 0.51 0.96 -0.39 3.11 2.04 -1.12 -2.46 117.51 120.16 2p1x h ILE 17 Ca 0.29 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2p1x h ILE 17 Cb 0.27 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2p1x h ILE 17 CO -0.23 0.05 0.26 -0.33 0.00 0.00 0.00 178.15 177.89 2p1x h GLU 18 N -0.22 0.51 -0.53 2.37 5.08 -0.84 -2.07 114.58 118.88 2p1x h GLU 18 Ca -0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2p1x h GLU 18 Cb 0.18 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2p1x h GLU 18 CO 0.02 0.34 0.22 0.93 -1.00 0.00 0.00 179.01 179.52 2p1x h GLU 19 N 0.52 0.79 -0.52 2.33 4.39 -0.65 0.51 114.58 121.95 2p1x h GLU 19 Ca 0.14 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2p1x h GLU 19 Cb -0.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2p1x h GLU 19 CO -0.03 0.69 0.26 0.00 -1.16 0.00 0.00 179.01 178.77 2p1x h ARG 20 N 0.71 0.74 0.00 2.33 3.08 -1.33 -1.95 114.38 117.96 2p1x h ARG 20 Ca 0.18 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2p1x h ARG 20 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2p1x h ARG 20 CO -0.02 0.60 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.13 2p1x h LEU 21 N 0.70 0.00 -0.51 3.04 3.38 -1.20 -2.02 115.31 118.69 2p1x h LEU 21 Ca 0.18 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2p1x h LEU 21 Cb 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2p1x h LEU 21 CO -0.03 0.28 0.25 0.44 0.09 0.00 0.00 178.44 179.48 2p1x h ASP 22 N 0.00 0.36 -0.41 -0.43 3.45 -0.39 -2.69 116.42 116.31 2p1x h ASP 22 Ca -0.00 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.49 2p1x h ASP 22 Cb 0.87 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 2p1x h ASP 22 CO 0.04 0.25 0.00 0.47 -1.57 0.00 0.00 179.24 178.42 2p1x n ASP 23 N -4.89 2.21 -4.69 6.45 8.00 -0.78 -4.94 116.55 117.91 2p1x n ASP 23 Ca 0.05 -2.01 -0.44 0.00 0.71 0.00 0.00 54.79 53.10 2p1x n ASP 23 Cb 0.14 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 2p1x n ASP 23 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 2p1x n TRP 24 N 0.70 2.50 -0.06 1.24 -0.00 -0.82 -4.85 117.44 116.14 2p1x n TRP 24 Ca 0.14 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.50 57.59 2p1x n TRP 24 Cb 0.35 -2.67 -0.13 0.00 -0.00 0.00 0.00 31.31 28.86 2p1x n TRP 24 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2p1x n ASP 25 N 5.17 1.15 -3.07 5.87 3.85 -1.26 -5.05 116.55 123.21 2p1x n ASP 25 Ca 0.18 0.00 -0.16 0.00 -0.71 0.00 0.00 54.79 54.11 2p1x n ASP 25 Cb 0.34 1.11 0.14 0.00 -1.35 0.00 0.00 41.12 41.36 2p1x n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2p1x n GLY 26 N 1.91 -2.90 0.25 6.12 0.00 -1.26 -4.94 105.19 104.37 2p1x n GLY 26 Ca -0.20 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 2p1x n GLY 26 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2p1x h ASP 27 N -2.12 0.83 -3.96 1.61 3.32 -2.00 -3.45 116.42 110.65 2p1x h ASP 27 Ca -0.21 -0.37 -0.50 0.00 0.02 0.00 0.00 57.03 55.97 2p1x h ASP 27 Cb 0.67 -0.23 0.04 0.00 0.22 0.00 0.00 39.33 40.03 2p1x h ASP 27 CO 0.14 1.11 0.47 -0.44 -1.72 0.00 0.00 179.24 178.80 2p1x s SER 28 N -6.84 6.51 -0.30 6.45 0.01 -1.26 -4.98 113.70 113.29 2p1x s SER 28 Ca -0.09 2.23 -0.27 0.00 1.31 0.00 0.00 55.95 59.13 2p1x s SER 28 Cb 0.12 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.75 2p1x s SER 28 CO 0.86 -0.68 0.95 -0.62 0.41 0.00 0.00 173.24 174.16 2p1x s ASP 29 N -1.33 6.85 -0.12 2.44 3.68 -1.26 -4.99 116.67 121.95 2p1x s ASP 29 Ca 0.59 0.95 0.03 0.00 2.13 0.00 0.00 52.55 56.26 2p1x s ASP 29 Cb -0.27 -2.49 0.00 0.00 -1.45 0.00 0.00 42.92 38.71 2p1x s ASP 29 CO 0.34 -0.74 -0.23 -0.63 0.13 0.00 0.00 175.17 174.04 2p1x s ILE 30 N 3.29 2.07 0.09 4.11 1.01 -1.26 -3.59 121.20 126.92 2p1x s ILE 30 Ca 0.40 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 60.14 2p1x s ILE 30 Cb -0.13 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2p1x s ILE 30 CO 0.13 0.56 -0.21 -1.81 0.00 0.00 0.00 174.94 173.60 2p1x s ASP 31 N 0.55 3.68 -0.08 3.58 1.01 -0.45 -4.97 116.67 119.99 2p1x s ASP 31 Ca -0.14 -0.57 0.02 0.00 0.71 0.00 0.00 52.55 52.57 2p1x s ASP 31 Cb -0.17 -0.47 0.01 0.00 1.01 0.00 0.00 42.92 43.31 2p1x s ASP 31 CO 0.04 0.20 -0.13 0.00 0.21 0.00 0.00 175.17 175.49 2p1x s GLU 33 N 0.76 1.34 -0.17 0.00 0.41 -0.35 -4.99 118.70 115.70 2p1x s GLU 33 Ca -0.12 -1.43 0.01 0.00 -0.41 0.00 0.00 54.97 53.02 2p1x s GLU 33 Cb -0.16 -1.49 0.01 0.00 -1.78 0.00 0.00 34.13 30.72 2p1x s GLU 33 CO 0.03 0.31 -0.18 -1.50 -0.49 0.00 0.00 175.26 173.42 2p1x s ILE 34 N -1.88 2.28 -0.14 -1.63 1.10 -1.26 -1.22 121.20 118.46 2p1x s ILE 34 Ca 0.17 -0.88 -0.02 0.00 -0.51 0.00 0.00 60.65 59.40 2p1x s ILE 34 Cb -0.07 -1.96 0.05 0.00 0.15 0.00 0.00 42.46 40.63 2p1x s ILE 34 CO 0.07 0.53 0.02 0.20 -2.11 0.00 0.00 174.94 173.65 2p1x s ASN 35 N 1.11 2.26 -1.61 4.50 0.01 -0.21 -4.78 114.94 116.22 2p1x s ASN 35 Ca 0.00 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 2p1x s ASN 35 Cb -0.14 -0.50 0.00 0.00 0.41 0.00 0.00 41.25 41.02 2p1x s ASN 35 CO -0.07 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.87 2p1x n GLY 36 N 5.11 -0.30 3.08 0.66 0.00 -1.26 -1.38 105.19 111.10 2p1x n GLY 36 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2p1x n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p1x n GLY 37 N -1.00 1.31 3.78 -0.02 0.00 -1.26 -5.02 105.19 102.98 2p1x n GLY 37 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2p1x n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p1x s VAL 38 N -3.60 5.13 -0.09 1.61 1.01 -0.48 -4.76 120.40 119.23 2p1x s VAL 38 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.63 2p1x s VAL 38 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2p1x s VAL 38 CO 0.00 0.46 0.42 -0.76 0.00 0.00 0.00 175.10 175.23 2p1x s LEU 39 N -0.26 4.34 -0.19 3.92 1.43 0.03 -1.05 118.68 126.91 2p1x s LEU 39 Ca 0.23 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2p1x s LEU 39 Cb -0.15 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.49 2p1x s LEU 39 CO 0.11 0.12 -0.14 -0.89 0.23 0.00 0.00 176.35 175.77 2p1x s THR 40 N 0.04 1.82 -0.21 5.49 2.01 -0.36 -0.57 115.64 123.87 2p1x s THR 40 Ca 0.24 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 61.14 2p1x s THR 40 Cb -0.15 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.55 2p1x s THR 40 CO 0.10 0.34 0.27 -0.63 -0.69 0.00 0.00 174.62 174.01 2p1x s ILE 41 N 1.35 5.30 -0.08 1.82 1.01 0.26 -1.21 121.20 129.65 2p1x s ILE 41 Ca 0.01 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.14 2p1x s ILE 41 Cb -0.15 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2p1x s ILE 41 CO -0.10 0.33 -0.17 -0.89 0.00 0.00 0.00 174.94 174.11 2p1x s THR 42 N 0.97 2.77 0.33 2.92 2.01 -0.15 -0.53 115.64 123.95 2p1x s THR 42 Ca 0.14 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.41 2p1x s THR 42 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 2p1x s THR 42 CO 0.05 0.56 0.29 -0.36 -0.69 0.00 0.00 174.62 174.47 2p1x s PHE 43 N -0.14 2.94 0.35 4.92 0.40 -0.38 -1.34 117.98 124.73 2p1x s PHE 43 Ca -0.02 -0.28 0.33 0.00 -0.60 0.00 0.00 56.93 56.36 2p1x s PHE 43 Cb -0.14 -1.77 1.60 0.00 0.51 0.00 0.00 43.02 43.22 2p1x s PHE 43 CO 0.04 0.21 2.09 0.93 0.70 0.00 0.00 175.22 179.18 2p1x h GLU 44 N 1.25 0.00 -0.07 0.44 5.08 -1.86 -0.81 114.58 118.61 2p1x h GLU 44 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2p1x h GLU 44 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2p1x h GLU 44 CO 0.58 0.06 0.00 0.27 -1.00 0.00 0.00 179.01 178.93 2p1x n ASN 45 N -3.32 0.69 0.00 1.42 0.23 -1.26 -4.89 115.26 108.14 2p1x n ASN 45 Ca -0.01 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.50 2p1x n ASN 45 Cb 0.24 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2p1x n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2p1x n GLY 46 N 0.93 1.47 3.82 4.83 0.00 -0.31 -5.04 105.19 110.89 2p1x n GLY 46 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2p1x n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p1x s SER 47 N -3.09 4.86 0.14 1.61 1.04 -1.26 -4.79 113.70 112.21 2p1x s SER 47 Ca 0.00 1.34 -0.02 0.00 0.48 0.00 0.00 55.95 57.75 2p1x s SER 47 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 2p1x s SER 47 CO 0.00 -1.74 0.08 -0.54 0.98 0.00 0.00 173.24 172.02 2p1x s LYS 48 N -5.17 0.96 -0.05 4.02 1.02 -1.26 -1.24 119.74 118.02 2p1x s LYS 48 Ca 0.60 -1.42 0.02 0.00 0.02 0.00 0.00 55.97 55.19 2p1x s LYS 48 Cb -0.14 0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.44 2p1x s LYS 48 CO 0.54 -0.28 -0.11 0.42 -0.92 0.00 0.00 175.35 175.00 2p1x s ILE 49 N -4.05 1.01 -0.09 2.17 1.01 0.31 -3.87 121.20 117.70 2p1x s ILE 49 Ca 0.24 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.49 2p1x s ILE 49 Cb 0.07 -0.92 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 2p1x s ILE 49 CO 0.02 0.32 -0.23 -0.63 0.00 0.00 0.00 174.94 174.42 2p1x s ILE 50 N 0.48 1.97 -0.10 2.92 1.01 -0.14 -0.57 121.20 126.76 2p1x s ILE 50 Ca -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.58 2p1x s ILE 50 Cb -0.13 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.66 2p1x s ILE 50 CO 0.02 0.54 -0.11 -0.63 0.00 0.00 0.00 174.94 174.77 2p1x s ILE 51 N 0.25 1.18 0.06 2.92 1.01 0.26 -0.53 121.20 126.34 2p1x s ILE 51 Ca -0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2p1x s ILE 51 Cb -0.17 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2p1x s ILE 51 CO 0.07 0.38 -0.01 0.54 0.00 0.00 0.00 174.94 175.92 2p1x s ASN 52 N 1.24 0.46 -0.04 3.58 4.22 -0.56 -0.79 114.94 123.06 2p1x s ASN 52 Ca -0.03 -0.98 -0.15 0.00 -2.14 0.00 0.00 52.86 49.55 2p1x s ASN 52 Cb -0.14 0.21 -0.05 0.00 1.28 0.00 0.00 41.25 42.55 2p1x s ASN 52 CO -0.04 -0.61 0.41 -0.13 -2.04 0.00 0.00 177.10 174.69 2p1x s ARG 53 N -3.92 4.01 -0.77 3.55 0.52 -1.26 -0.56 118.95 120.52 2p1x s ARG 53 Ca 0.08 0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 55.66 2p1x s ARG 53 Cb 0.08 -3.27 0.19 0.00 0.52 0.00 0.00 34.95 32.46 2p1x s ARG 53 CO -0.10 0.56 0.61 -1.14 0.02 0.00 0.00 175.30 175.26 2p1x s GLN 54 N -0.65 2.90 0.16 3.54 2.00 0.50 -4.94 119.66 123.17 2p1x s GLN 54 Ca 0.23 -3.02 -0.19 0.00 -2.00 0.00 0.00 55.36 50.38 2p1x s GLN 54 Cb -0.16 -3.79 0.08 0.00 0.80 0.00 0.00 33.01 29.93 2p1x s GLN 54 CO 0.12 -1.23 1.65 1.49 -0.50 0.00 0.00 175.29 176.81 2p1x h GLU 55 N 6.28 -0.11 -0.60 1.67 4.22 -1.96 -1.85 114.58 122.23 2p1x h GLU 55 Ca 0.09 0.01 0.13 0.00 0.08 0.00 0.00 59.36 59.67 2p1x h GLU 55 Cb 0.85 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 2p1x h GLU 55 CO 0.78 -0.07 0.41 -1.35 -2.18 0.00 0.00 179.01 176.60 2p1x h PRO 56 N -0.11 0.22 -0.02 0.92 0.11 -1.95 -1.33 132.00 129.84 2p1x h PRO 56 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2p1x h PRO 56 Cb 0.38 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2p1x h PRO 56 CO -0.42 0.15 -0.17 1.28 -0.21 0.00 0.00 178.00 178.62 2p1x n LEU 57 N -4.44 2.36 -3.87 2.35 4.77 -0.77 -4.95 117.00 112.45 2p1x n LEU 57 Ca 0.11 -0.81 -0.29 0.00 -0.03 0.00 0.00 56.01 54.99 2p1x n LEU 57 Cb 0.51 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.62 2p1x n LEU 57 CO 0.35 0.41 0.10 1.41 -1.33 0.00 0.00 177.39 178.33 2p1x n HIS 58 N 0.62 -2.31 -4.44 -1.77 8.25 -0.50 -4.98 115.22 110.08 2p1x n HIS 58 Ca 0.13 0.91 -0.26 0.00 -0.26 0.00 0.00 57.72 58.24 2p1x n HIS 58 Cb 0.51 -4.11 -0.11 0.00 1.12 0.00 0.00 29.99 27.40 2p1x n HIS 58 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2p1x s GLN 59 N -6.53 1.57 -0.16 -0.41 -0.21 -1.03 -4.17 119.66 108.72 2p1x s GLN 59 Ca 0.59 -1.62 -0.06 0.00 0.02 0.00 0.00 55.36 54.29 2p1x s GLN 59 Cb -0.29 -1.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 2p1x s GLN 59 CO 0.82 0.37 0.04 0.08 -2.12 0.00 0.00 175.29 174.48 2p1x s VAL 60 N -2.02 4.61 -0.02 1.09 1.01 -0.75 -0.37 120.40 123.95 2p1x s VAL 60 Ca 0.24 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2p1x s VAL 60 Cb -0.07 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2p1x s VAL 60 CO 0.12 0.50 -0.07 0.26 0.00 0.00 0.00 175.10 175.90 2p1x s TRP 61 N 0.10 2.89 -0.11 5.22 0.52 0.27 -0.40 118.94 127.43 2p1x s TRP 61 Ca 0.04 -0.03 0.03 0.00 0.02 0.00 0.00 56.10 56.16 2p1x s TRP 61 Cb -0.12 -1.63 0.00 0.00 -1.15 0.00 0.00 33.47 30.56 2p1x s TRP 61 CO 0.01 0.35 -0.23 -1.17 0.02 0.00 0.00 176.95 175.94 2p1x s LEU 62 N -1.25 2.16 -0.17 2.99 2.96 -0.13 -1.49 118.68 123.74 2p1x s LEU 62 Ca 0.16 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2p1x s LEU 62 Cb -0.11 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.16 2p1x s LEU 62 CO 0.06 0.15 -0.18 0.00 -1.32 0.00 0.00 176.35 175.05 2p1x s ALA 63 N 0.43 2.18 0.51 5.97 0.00 0.31 -1.18 121.76 129.98 2p1x s ALA 63 Ca -0.16 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.69 2p1x s ALA 63 Cb -0.17 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 2p1x s ALA 63 CO 0.07 -0.36 0.02 0.95 0.00 0.00 0.00 175.76 176.43 2p1x s THR 64 N 1.35 1.23 0.50 0.00 -4.23 0.26 -0.97 115.64 113.78 2p1x s THR 64 Ca 0.05 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 58.73 2p1x s THR 64 Cb -0.13 -2.21 0.25 0.00 1.34 0.00 0.00 72.50 71.75 2p1x s THR 64 CO -0.12 0.00 2.11 0.50 -0.54 0.00 0.00 174.62 176.57 2p1x h LYS 65 N 1.36 0.00 0.00 3.99 3.64 -1.96 -2.97 116.57 120.63 2p1x h LYS 65 Ca -0.44 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.72 2p1x h LYS 65 Cb 1.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 2p1x h LYS 65 CO 0.74 0.04 -1.44 0.37 -2.27 0.00 0.00 179.45 176.89 2p1x h GLN 66 N 0.00 0.00 0.00 1.90 4.15 -1.95 -3.50 115.11 115.71 2p1x h GLN 66 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2p1x h GLN 66 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2p1x h GLN 66 CO 0.01 0.44 0.00 0.41 -1.93 0.00 0.00 178.83 177.76 2p1x n GLY 67 N 1.45 0.55 3.10 2.39 0.00 -1.12 -5.15 105.19 106.40 2p1x n GLY 67 Ca -0.11 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 2p1x n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p1x s GLY 68 N -2.18 0.71 -0.01 -0.02 0.00 -1.26 -0.57 107.32 103.98 2p1x s GLY 68 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 44.72 44.16 2p1x s GLY 68 CO 0.00 -0.41 -0.06 -0.19 0.00 0.00 0.00 173.10 172.44 2p1x s TYR 69 N -0.17 0.64 -0.11 1.90 1.51 -0.32 -5.01 117.35 115.79 2p1x s TYR 69 Ca 0.02 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2p1x s TYR 69 Cb -0.07 -0.45 0.01 0.00 -0.11 0.00 0.00 41.96 41.33 2p1x s TYR 69 CO 0.00 -0.05 -0.22 -1.01 -1.11 0.00 0.00 175.55 173.17 2p1x s HIS 70 N 0.08 2.43 -0.09 2.71 3.76 -1.26 -0.96 115.29 121.96 2p1x s HIS 70 Ca -0.01 -1.07 0.04 0.00 -0.15 0.00 0.00 55.06 53.87 2p1x s HIS 70 Cb -0.05 -1.65 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 2p1x s HIS 70 CO -0.00 -0.46 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.13 2p1x s PHE 71 N 0.56 2.54 0.24 1.40 0.08 0.46 -0.37 117.98 122.90 2p1x s PHE 71 Ca -0.14 -0.94 -0.08 0.00 0.12 0.00 0.00 56.93 55.90 2p1x s PHE 71 Cb -0.17 -1.69 -0.06 0.00 -0.57 0.00 0.00 43.02 40.53 2p1x s PHE 71 CO 0.05 -0.35 0.54 -0.51 -0.10 0.00 0.00 175.22 174.84 2p1x s ASP 72 N 0.20 6.55 0.03 1.36 1.01 -0.32 -1.81 116.67 123.69 2p1x s ASP 72 Ca -0.14 0.82 -0.30 0.00 0.71 0.00 0.00 52.55 53.64 2p1x s ASP 72 Cb -0.17 -2.19 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 2p1x s ASP 72 CO 0.07 -0.11 1.40 -0.76 0.21 0.00 0.00 175.17 175.98 2p1x s LEU 73 N -3.07 4.33 -0.32 1.23 1.02 -1.26 -0.91 118.68 119.71 2p1x s LEU 73 Ca 0.46 2.17 -0.02 0.00 0.02 0.00 0.00 54.13 56.76 2p1x s LEU 73 Cb -0.11 -3.57 0.12 0.00 0.02 0.00 0.00 46.19 42.65 2p1x s LEU 73 CO 0.25 -0.70 0.17 -0.54 0.02 0.00 0.00 176.35 175.54 2p1x s LYS 74 N 2.07 0.40 -0.94 1.70 1.02 0.56 -4.94 119.74 119.61 2p1x s LYS 74 Ca 0.64 -0.94 -0.10 0.00 0.02 0.00 0.00 55.97 55.58 2p1x s LYS 74 Cb -0.33 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.69 2p1x s LYS 74 CO 0.28 -1.10 0.68 0.41 -0.92 0.00 0.00 175.35 174.69 2p1x n GLY 75 N 4.66 -1.16 3.94 -3.33 0.00 -1.26 -0.71 105.19 107.33 2p1x n GLY 75 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2p1x n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2p1x n ASP 76 N -2.41 0.00 -4.94 1.61 8.00 -1.26 -4.95 116.55 112.60 2p1x n ASP 76 Ca -0.18 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.06 2p1x n ASP 76 Cb 0.62 -0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 2p1x n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2p1x s GLU 77 N -0.07 3.48 -0.20 -1.24 2.12 0.11 -5.12 118.70 117.77 2p1x s GLU 77 Ca 0.00 -0.48 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 2p1x s GLU 77 Cb 0.00 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.51 2p1x s GLU 77 CO 0.00 0.45 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.45 2p1x s TRP 78 N -1.83 2.88 -0.08 5.30 0.52 -1.26 -0.33 118.94 124.14 2p1x s TRP 78 Ca 0.36 -1.45 0.05 0.00 0.02 0.00 0.00 56.10 55.08 2p1x s TRP 78 Cb -0.11 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.21 2p1x s TRP 78 CO 0.29 -0.73 -0.23 0.42 0.02 0.00 0.00 176.95 176.72 2p1x s ILE 79 N 1.34 2.19 0.07 2.03 -1.09 -0.09 -1.13 121.20 124.52 2p1x s ILE 79 Ca 0.04 -1.00 -0.31 0.00 -2.23 0.00 0.00 60.65 57.16 2p1x s ILE 79 Cb -0.14 -1.82 -0.07 0.00 -1.58 0.00 0.00 42.46 38.85 2p1x s ILE 79 CO -0.09 0.56 1.49 0.00 -1.23 0.00 0.00 174.94 175.67 2p1x n ASP 81 N 4.95 0.00 -0.03 0.00 3.85 0.50 -0.65 116.55 125.16 2p1x n ASP 81 Ca 0.14 -0.51 -0.02 0.00 -0.71 0.00 0.00 54.79 53.69 2p1x n ASP 81 Cb 0.42 -0.07 -0.07 0.00 -1.35 0.00 0.00 41.12 40.04 2p1x n ASP 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2p1x n ARG 82 N -1.07 1.92 0.00 0.11 1.74 -1.26 -4.84 116.66 113.26 2p1x n ARG 82 Ca 0.15 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2p1x n ARG 82 Cb 0.10 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 2p1x n ARG 82 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2p1x n SER 83 N -2.21 2.80 0.00 0.55 3.41 -1.14 -5.03 113.62 112.00 2p1x n SER 83 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2p1x n SER 83 Cb 0.65 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 2p1x n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p1x n GLY 84 N 1.42 1.57 3.83 5.00 0.00 0.18 -4.98 105.19 112.20 2p1x n GLY 84 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2p1x n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p1x s GLU 85 N -0.22 3.58 0.42 1.61 2.02 -1.26 -4.51 118.70 120.34 2p1x s GLU 85 Ca 0.00 1.03 -0.15 0.00 0.02 0.00 0.00 54.97 55.87 2p1x s GLU 85 Cb 0.00 -2.08 -0.08 0.00 0.10 0.00 0.00 34.13 32.07 2p1x s GLU 85 CO 0.00 -0.59 0.85 0.95 0.02 0.00 0.00 175.26 176.49 2p1x s THR 86 N -2.65 4.62 0.17 3.63 -4.23 -1.26 -0.41 115.64 115.50 2p1x s THR 86 Ca 0.60 1.02 -0.15 0.00 -1.18 0.00 0.00 61.69 61.98 2p1x s THR 86 Cb -0.13 -3.67 0.06 0.00 1.34 0.00 0.00 72.50 70.09 2p1x s THR 86 CO 0.38 -0.44 1.75 0.15 -0.54 0.00 0.00 174.62 175.92 2p1x h PHE 87 N 1.54 0.29 -0.60 3.99 3.57 -1.50 -1.63 116.94 122.59 2p1x h PHE 87 Ca -0.48 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 2p1x h PHE 87 Cb 1.18 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.83 2p1x h PHE 87 CO 0.62 0.11 0.16 -1.49 -2.23 0.00 0.00 178.31 175.49 2p1x h TRP 88 N 0.33 0.95 -0.54 0.41 -0.00 -1.93 0.16 115.95 115.33 2p1x h TRP 88 Ca 0.20 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.89 58.97 2p1x h TRP 88 Cb 0.18 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.03 2p1x h TRP 88 CO -0.14 0.78 0.23 -0.44 -0.00 0.00 0.00 178.44 178.87 2p1x h ASP 89 N 0.89 0.74 0.46 -3.49 5.19 -1.85 -0.79 116.42 117.57 2p1x h ASP 89 Ca 0.20 -0.16 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 2p1x h ASP 89 Cb 0.29 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 2p1x h ASP 89 CO -0.00 0.69 -0.62 -0.07 -3.12 0.00 0.00 179.24 176.11 2p1x h LEU 90 N 0.74 0.18 -0.27 1.55 3.38 -0.90 -0.90 115.31 119.08 2p1x h LEU 90 Ca 0.18 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2p1x h LEU 90 Cb 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2p1x h LEU 90 CO -0.02 0.76 -0.20 0.25 0.09 0.00 0.00 178.44 179.31 2p1x h LEU 91 N 0.11 0.65 -0.92 1.67 5.85 -0.56 -1.61 115.31 120.50 2p1x h LEU 91 Ca -0.01 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2p1x h LEU 91 Cb 1.13 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 2p1x h LEU 91 CO 0.09 0.96 0.36 -0.33 -0.34 0.00 0.00 178.44 179.18 2p1x h GLU 92 N 0.35 1.14 -0.28 1.25 5.08 -1.01 0.27 114.58 121.37 2p1x h GLU 92 Ca 0.05 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2p1x h GLU 92 Cb 0.75 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2p1x h GLU 92 CO 0.05 0.89 0.11 0.37 -1.00 0.00 0.00 179.01 179.43 2p1x h GLN 93 N 1.13 0.42 -0.27 2.33 4.15 -1.04 -0.12 115.11 121.70 2p1x h GLN 93 Ca 0.27 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 2p1x h GLN 93 Cb 0.13 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2p1x h GLN 93 CO -0.03 0.44 -0.00 0.00 -1.93 0.00 0.00 178.83 177.31 2p1x h ALA 94 N 0.96 0.36 -0.73 3.38 0.00 -1.05 -1.47 119.26 120.71 2p1x h ALA 94 Ca 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2p1x h ALA 94 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2p1x h ALA 94 CO -0.01 0.11 0.20 0.00 0.00 0.00 0.00 179.25 179.55 2p1x h ALA 95 N 0.82 0.98 -0.42 0.00 0.00 -0.89 0.11 119.26 119.86 2p1x h ALA 95 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2p1x h ALA 95 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2p1x h ALA 95 CO 0.01 0.67 0.12 1.15 0.00 0.00 0.00 179.25 181.20 2p1x h THR 96 N 1.09 1.22 -0.52 0.00 2.02 -0.88 0.17 112.91 116.02 2p1x h THR 96 Ca 0.23 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 2p1x h THR 96 Cb 0.34 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 2p1x h THR 96 CO -0.00 0.27 0.12 -0.61 0.37 0.00 0.00 175.52 175.67 2p1x h GLN 97 N 0.54 0.84 0.00 6.66 4.15 -1.01 -0.12 115.11 126.17 2p1x h GLN 97 Ca 0.13 -0.20 -0.17 0.00 0.77 0.00 0.00 58.65 59.18 2p1x h GLN 97 Cb 0.29 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2p1x h GLN 97 CO -0.00 0.80 -0.81 1.96 -1.93 0.00 0.00 178.83 178.85 2p1x h GLN 98 N 0.73 0.00 0.00 1.69 4.20 -0.56 -3.07 115.11 118.09 2p1x h GLN 98 Ca 0.16 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 2p1x h GLN 98 Cb 0.34 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2p1x h GLN 98 CO 0.00 0.77 -0.42 0.00 -0.67 0.00 0.00 178.83 178.52 2p1x h ALA 99 N 1.21 0.78 -0.24 3.87 0.00 -0.66 -3.44 119.26 120.78 2p1x h ALA 99 Ca -0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2p1x h ALA 99 Cb 1.61 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2p1x h ALA 99 CO 0.10 0.36 -0.09 0.41 0.00 0.00 0.00 179.25 180.03 2p1x n GLY 100 N 1.19 0.76 3.31 0.00 0.00 -0.07 -4.97 105.19 105.41 2p1x n GLY 100 Ca 0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2p1x n GLY 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2p1x s GLU 101 N -2.13 0.89 -0.09 1.61 -1.05 -1.16 -5.05 118.70 111.71 2p1x s GLU 101 Ca 0.00 -0.37 -0.36 0.00 -0.15 0.00 0.00 54.97 54.09 2p1x s GLU 101 Cb 0.00 0.40 -0.13 0.00 -0.44 0.00 0.00 34.13 33.95 2p1x s GLU 101 CO 0.00 -0.30 1.76 2.41 0.95 0.00 0.00 175.26 180.08 2p1x n THR 102 N 0.56 0.38 -4.06 1.83 -1.04 -1.26 -4.31 114.28 106.38 2p1x n THR 102 Ca -0.19 -0.07 -0.33 0.00 -2.04 0.00 0.00 64.05 61.43 2p1x n THR 102 Cb 0.59 -1.57 -0.15 0.00 -1.82 0.00 0.00 70.33 67.39 2p1x n THR 102 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2p1x s VAL 103 N 3.21 2.27 0.13 12.58 1.01 -1.26 -4.99 120.40 133.35 2p1x s VAL 103 Ca 0.92 -1.48 0.10 0.00 0.00 0.00 0.00 61.98 61.53 2p1x s VAL 103 Cb -0.82 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2p1x s VAL 103 CO 0.53 0.06 -0.26 -0.44 0.00 0.00 0.00 175.10 175.00 2p1x s SER 104 N 1.16 3.16 -0.09 3.32 0.01 -1.26 -4.64 113.70 115.36 2p1x s SER 104 Ca -0.06 -0.74 0.13 0.00 1.31 0.00 0.00 55.95 56.59 2p1x s SER 104 Cb -0.19 -0.20 0.32 0.00 0.21 0.00 0.00 66.02 66.16 2p1x s SER 104 CO -0.06 0.15 1.23 0.49 0.41 0.00 0.00 173.24 175.47 2p1x n PHE 105 N 0.93 0.40 -0.35 2.43 3.01 -1.26 -5.05 117.46 117.57 2p1x n PHE 105 Ca -0.18 -0.76 0.00 0.00 1.01 0.00 0.00 57.45 57.52 2p1x n PHE 105 Cb 0.53 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 2p1x n PHE 105 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31