#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lr5 s VAL 3 N 2.36 4.31 0.02 0.00 1.01 -1.26 -4.97 120.40 121.87 1lr5 s VAL 3 Ca 0.62 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1lr5 s VAL 3 Cb -0.30 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1lr5 s VAL 3 CO 0.25 -0.25 0.09 -0.13 0.00 0.00 0.00 175.10 175.06 1lr5 s ARG 4 N 1.50 3.04 -0.10 2.72 0.52 -1.26 -4.74 118.95 120.62 1lr5 s ARG 4 Ca 0.01 -0.54 -0.03 0.00 -0.52 0.00 0.00 55.73 54.65 1lr5 s ARG 4 Cb -0.20 -2.83 0.05 0.00 0.52 0.00 0.00 34.95 32.49 1lr5 s ARG 4 CO 0.05 0.62 0.11 0.34 0.02 0.00 0.00 175.30 176.45 1lr5 s ASP 5 N -1.96 1.38 0.00 0.23 3.68 0.02 -4.98 116.67 115.04 1lr5 s ASP 5 Ca 0.25 -0.07 0.29 0.00 2.13 0.00 0.00 52.55 55.16 1lr5 s ASP 5 Cb -0.12 0.01 1.26 0.00 -1.45 0.00 0.00 42.92 42.62 1lr5 s ASP 5 CO 0.17 -0.28 1.87 0.59 0.13 0.00 0.00 175.17 177.64 1lr5 n ASN 6 N 5.30 1.08 -4.77 -0.34 3.02 -1.26 -4.58 115.26 113.71 1lr5 n ASN 6 Ca -0.05 -1.33 -0.35 0.00 -0.03 0.00 0.00 54.58 52.82 1lr5 n ASN 6 Cb 0.50 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1lr5 n ASN 6 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1lr5 s SER 7 N -2.03 5.80 -0.00 6.41 0.01 -1.26 -4.98 113.70 117.65 1lr5 s SER 7 Ca 0.40 2.18 -0.24 0.00 1.31 0.00 0.00 55.95 59.60 1lr5 s SER 7 Cb 0.21 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.70 1lr5 s SER 7 CO 0.35 -1.16 1.16 0.25 0.41 0.00 0.00 173.24 174.25 1lr5 h LEU 8 N 1.32 -0.34 -8.80 2.44 5.85 -2.03 -3.42 115.31 110.32 1lr5 h LEU 8 Ca -0.50 -0.19 -0.64 0.00 0.84 0.00 0.00 57.88 57.39 1lr5 h LEU 8 Cb 1.26 0.09 -0.20 0.00 0.37 0.00 0.00 40.66 42.18 1lr5 h LEU 8 CO 0.57 0.05 -0.58 -0.69 -0.34 0.00 0.00 178.44 177.45 1lr5 s VAL 9 N -4.44 4.71 0.04 1.05 1.01 -1.26 -5.09 120.40 116.43 1lr5 s VAL 9 Ca -0.14 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1lr5 s VAL 9 Cb 0.02 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1lr5 s VAL 9 CO 0.52 0.33 -0.20 -0.13 0.00 0.00 0.00 175.10 175.62 1lr5 s ARG 10 N 1.46 1.35 -0.31 2.72 0.52 -1.26 -5.10 118.95 118.32 1lr5 s ARG 10 Ca 0.06 -0.92 -0.22 0.00 -0.52 0.00 0.00 55.73 54.13 1lr5 s ARG 10 Cb -0.15 -1.45 -0.00 0.00 0.52 0.00 0.00 34.95 33.87 1lr5 s ARG 10 CO 0.05 0.37 0.74 0.34 0.02 0.00 0.00 175.30 176.82 1lr5 s ASP 11 N -1.15 6.60 0.44 0.23 -1.08 -1.26 -4.94 116.67 115.50 1lr5 s ASP 11 Ca 0.07 0.56 0.10 0.00 -0.52 0.00 0.00 52.55 52.75 1lr5 s ASP 11 Cb -0.09 -2.38 0.97 0.00 -1.46 0.00 0.00 42.92 39.96 1lr5 s ASP 11 CO 0.02 -0.58 2.07 0.40 0.52 0.00 0.00 175.17 177.59 1lr5 h ILE 12 N 5.60 1.05 0.00 4.11 2.04 -1.97 -1.10 117.51 127.25 1lr5 h ILE 12 Ca -0.25 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1lr5 h ILE 12 Cb 1.10 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1lr5 h ILE 12 CO 0.86 0.08 0.00 -1.54 0.00 0.00 0.00 178.15 177.55 1lr5 n SER 13 N -4.49 0.50 -1.16 1.72 3.41 -1.26 -2.03 113.62 110.31 1lr5 n SER 13 Ca 0.03 0.60 0.10 0.00 -0.26 0.00 0.00 58.87 59.35 1lr5 n SER 13 Cb 0.11 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 63.61 1lr5 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lr5 n GLN 14 N -2.03 2.71 -3.62 4.33 1.13 -0.42 -4.96 117.38 114.51 1lr5 n GLN 14 Ca 0.03 -2.47 -0.33 0.00 -1.94 0.00 0.00 57.00 52.29 1lr5 n GLN 14 Cb 0.25 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.06 1lr5 n GLN 14 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1lr5 s MET 15 N -1.04 3.69 0.10 -1.09 -1.94 -0.86 -5.01 119.30 113.14 1lr5 s MET 15 Ca 0.42 0.05 -0.35 0.00 -1.71 0.00 0.00 55.69 54.10 1lr5 s MET 15 Cb 0.22 -2.93 -0.15 0.00 2.01 0.00 0.00 34.83 33.98 1lr5 s MET 15 CO 0.29 0.52 1.51 -0.35 -0.01 0.00 0.00 175.02 176.98 1lr5 n PRO 16 N 0.55 1.74 -4.90 2.03 -0.04 -1.26 -4.99 135.00 128.13 1lr5 n PRO 16 Ca -0.06 0.63 -0.29 0.00 -0.04 0.00 0.00 63.50 63.75 1lr5 n PRO 16 Cb 0.52 -2.35 -0.15 0.00 -0.04 0.00 0.00 33.50 31.48 1lr5 n PRO 16 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1lr5 s GLN 17 N 1.03 1.71 0.08 0.54 0.74 -1.26 -4.59 119.66 117.91 1lr5 s GLN 17 Ca 0.82 -0.99 -0.26 0.00 0.05 0.00 0.00 55.36 54.98 1lr5 s GLN 17 Cb -0.80 -1.81 0.08 0.00 1.10 0.00 0.00 33.01 31.58 1lr5 s GLN 17 CO 0.43 0.47 0.68 0.45 -0.55 0.00 0.00 175.29 176.77 1lr5 s SER 18 N -1.04 -0.55 0.39 6.67 0.15 -0.99 -4.94 113.70 113.40 1lr5 s SER 18 Ca 0.10 0.17 0.21 0.00 0.70 0.00 0.00 55.95 57.12 1lr5 s SER 18 Cb -0.09 0.54 0.30 0.00 -1.71 0.00 0.00 66.02 65.05 1lr5 s SER 18 CO 0.01 -0.81 1.57 0.77 1.20 0.00 0.00 173.24 175.99 1lr5 h SER 19 N 2.23 0.00 -3.24 5.45 4.64 -1.89 -0.68 113.55 120.06 1lr5 h SER 19 Ca -0.30 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.68 1lr5 h SER 19 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1lr5 h SER 19 CO 0.37 0.16 -0.42 -1.22 -0.87 0.00 0.00 176.83 174.85 1lr5 n TYR 20 N -3.15 -1.13 -0.73 4.77 4.02 -1.26 -1.52 117.16 118.16 1lr5 n TYR 20 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1lr5 n TYR 20 Cb 0.58 -3.37 0.00 0.00 -0.02 0.00 0.00 39.34 36.54 1lr5 n TYR 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1lr5 n GLY 21 N -0.87 0.63 3.42 2.72 0.00 -1.26 -4.96 105.19 104.87 1lr5 n GLY 21 Ca -0.20 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1lr5 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lr5 s ILE 22 N -2.00 4.56 -0.06 -0.61 1.01 -0.58 -5.03 121.20 118.50 1lr5 s ILE 22 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 60.65 59.78 1lr5 s ILE 22 Cb 0.00 -3.36 -0.14 0.00 0.01 0.00 0.00 42.46 38.96 1lr5 s ILE 22 CO 0.00 0.02 1.65 -0.62 0.00 0.00 0.00 174.94 175.99 1lr5 n GLU 23 N 4.98 1.62 -0.98 2.79 -0.58 -1.26 -2.06 120.64 125.14 1lr5 n GLU 23 Ca -0.14 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1lr5 n GLU 23 Cb 0.49 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 1lr5 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lr5 n GLY 24 N 3.70 0.71 3.83 0.62 0.00 -1.26 -4.81 105.19 107.98 1lr5 n GLY 24 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1lr5 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1lr5 s LEU 25 N 0.00 4.05 -0.12 0.99 2.96 -0.88 -0.44 118.68 125.25 1lr5 s LEU 25 Ca 0.00 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1lr5 s LEU 25 Cb 0.00 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.16 1lr5 s LEU 25 CO 0.00 0.21 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.61 1lr5 s SER 26 N -2.16 2.23 -0.01 3.68 0.15 -0.09 -3.73 113.70 113.76 1lr5 s SER 26 Ca 0.28 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.67 1lr5 s SER 26 Cb -0.12 -0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 63.30 1lr5 s SER 26 CO 0.21 -0.11 -0.17 -2.28 1.20 0.00 0.00 173.24 172.08 1lr5 s HIS 27 N 1.67 1.55 -0.05 3.44 2.46 -0.26 -1.43 115.29 122.67 1lr5 s HIS 27 Ca 0.05 -0.30 0.01 0.00 0.47 0.00 0.00 55.06 55.29 1lr5 s HIS 27 Cb -0.13 -0.99 0.02 0.00 -0.13 0.00 0.00 32.58 31.35 1lr5 s HIS 27 CO -0.08 -0.02 -0.06 0.42 -2.47 0.00 0.00 174.74 172.53 1lr5 s ILE 28 N -0.44 0.69 -0.44 0.89 1.01 -0.42 -2.35 121.20 120.13 1lr5 s ILE 28 Ca 0.07 -0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.24 1lr5 s ILE 28 Cb -0.07 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.74 1lr5 s ILE 28 CO -0.00 0.26 0.98 -0.89 0.00 0.00 0.00 174.94 175.29 1lr5 s THR 29 N 0.87 4.43 0.02 2.92 2.01 -1.26 -0.89 115.64 123.74 1lr5 s THR 29 Ca -0.12 1.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.68 1lr5 s THR 29 Cb -0.15 -4.45 -0.17 0.00 0.01 0.00 0.00 72.50 67.74 1lr5 s THR 29 CO 0.01 -0.80 1.24 0.58 -0.69 0.00 0.00 174.62 174.96 1lr5 h VAL 30 N 6.05 1.39 -1.94 3.82 2.07 -0.82 -3.44 116.25 123.38 1lr5 h VAL 30 Ca -0.23 -1.61 -0.14 0.00 0.82 0.00 0.00 66.70 65.53 1lr5 h VAL 30 Cb 1.07 2.16 -0.29 0.00 -1.52 0.00 0.00 31.29 32.70 1lr5 h VAL 30 CO 1.04 0.47 -0.46 0.00 0.02 0.00 0.00 177.57 178.64 1lr5 s ALA 31 N -3.86 -1.12 0.32 1.67 0.00 -1.10 -4.98 121.76 112.69 1lr5 s ALA 31 Ca -0.14 1.00 0.04 0.00 0.00 0.00 0.00 51.96 52.85 1lr5 s ALA 31 Cb 0.05 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1lr5 s ALA 31 CO 0.78 -1.20 0.17 0.20 0.00 0.00 0.00 175.76 175.70 1lr5 s GLY 32 N 2.56 2.15 -0.02 0.00 0.00 -1.26 -0.23 107.32 110.52 1lr5 s GLY 32 Ca 0.11 -1.73 -0.22 0.00 0.00 0.00 0.00 44.72 42.88 1lr5 s GLY 32 CO -0.16 -1.60 1.00 0.00 0.00 0.00 0.00 173.10 172.34 1lr5 h ALA 33 N 2.16 -0.38 -0.09 3.20 0.00 -1.85 0.28 119.26 122.58 1lr5 h ALA 33 Ca -0.33 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 1lr5 h ALA 33 Cb 1.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1lr5 h ALA 33 CO 0.51 -0.46 -0.80 -0.07 0.00 0.00 0.00 179.25 178.43 1lr5 h LEU 34 N -0.88 0.67 0.15 0.00 3.38 -1.95 -1.06 115.31 115.62 1lr5 h LEU 34 Ca -0.04 -0.46 -0.29 0.00 0.09 0.00 0.00 57.88 57.18 1lr5 h LEU 34 Cb 0.51 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1lr5 h LEU 34 CO 0.06 1.23 -1.34 0.78 0.09 0.00 0.00 178.44 179.27 1lr5 h ASN 35 N 0.37 0.49 0.00 -0.43 2.35 -1.85 -3.41 115.58 113.10 1lr5 h ASN 35 Ca -0.05 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.15 1lr5 h ASN 35 Cb 1.41 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1lr5 h ASN 35 CO 0.15 1.44 0.00 1.41 -1.65 0.00 0.00 177.43 178.77 1lr5 n HIS 36 N -3.55 0.00 -0.81 1.19 8.25 0.03 -0.80 115.22 119.54 1lr5 n HIS 36 Ca -0.11 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1lr5 n HIS 36 Cb 1.04 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.13 1lr5 n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1lr5 n GLY 37 N -0.18 0.64 3.76 -1.41 0.00 -0.40 -4.91 105.19 102.69 1lr5 n GLY 37 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1lr5 n GLY 37 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lr5 s MET 38 N -0.19 3.47 -0.00 1.61 -1.94 -0.86 -4.90 119.30 116.49 1lr5 s MET 38 Ca 0.00 1.84 0.02 0.00 -1.71 0.00 0.00 55.69 55.84 1lr5 s MET 38 Cb 0.00 -2.25 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 1lr5 s MET 38 CO 0.00 -0.81 0.06 1.63 -0.01 0.00 0.00 175.02 175.89 1lr5 n LYS 39 N -0.87 1.90 0.00 2.03 5.02 -1.26 -3.99 118.16 120.99 1lr5 n LYS 39 Ca 0.09 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1lr5 n LYS 39 Cb 0.48 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 1lr5 n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1lr5 n GLU 40 N -1.42 3.01 -3.85 1.97 1.02 -1.26 -4.46 120.64 115.65 1lr5 n GLU 40 Ca -0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1lr5 n GLU 40 Cb 0.05 -0.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.69 1lr5 n GLU 40 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1lr5 s VAL 41 N -0.96 -0.01 0.01 2.62 -7.23 -1.26 -3.45 120.40 110.12 1lr5 s VAL 41 Ca 0.00 0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 1lr5 s VAL 41 Cb 0.00 -0.03 -0.01 0.00 0.56 0.00 0.00 36.38 36.90 1lr5 s VAL 41 CO 0.00 0.02 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.03 1lr5 s GLU 42 N 0.21 0.58 -0.09 4.82 2.12 -0.36 -4.72 118.70 121.26 1lr5 s GLU 42 Ca -0.02 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 54.93 1lr5 s GLU 42 Cb -0.03 -0.51 0.01 0.00 0.26 0.00 0.00 34.13 33.86 1lr5 s GLU 42 CO -0.01 0.13 -0.17 0.08 -0.54 0.00 0.00 175.26 174.75 1lr5 s VAL 43 N -0.50 1.57 0.09 3.70 1.01 0.68 -0.80 120.40 126.15 1lr5 s VAL 43 Ca -0.00 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1lr5 s VAL 43 Cb -0.05 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1lr5 s VAL 43 CO 0.00 0.45 -0.21 0.26 0.00 0.00 0.00 175.10 175.60 1lr5 s TRP 44 N 0.64 2.46 -0.16 5.22 0.51 0.61 -0.07 118.94 128.15 1lr5 s TRP 44 Ca -0.14 -0.31 0.02 0.00 -2.12 0.00 0.00 56.10 53.55 1lr5 s TRP 44 Cb -0.16 -1.36 0.01 0.00 -0.81 0.00 0.00 33.47 31.15 1lr5 s TRP 44 CO 0.04 0.31 -0.20 -1.17 -0.51 0.00 0.00 176.95 175.42 1lr5 s LEU 45 N -1.84 2.20 -0.00 2.99 2.96 -0.07 -0.33 118.68 124.57 1lr5 s LEU 45 Ca 0.15 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1lr5 s LEU 45 Cb -0.10 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.10 1lr5 s LEU 45 CO 0.07 0.05 -0.05 -1.10 -1.32 0.00 0.00 176.35 174.00 1lr5 s GLN 46 N 0.97 0.44 -0.08 1.98 -0.21 -0.50 -1.30 119.66 120.97 1lr5 s GLN 46 Ca -0.03 -0.20 0.04 0.00 0.02 0.00 0.00 55.36 55.19 1lr5 s GLN 46 Cb -0.15 -0.43 -0.01 0.00 1.00 0.00 0.00 33.01 33.43 1lr5 s GLN 46 CO -0.05 0.12 -0.22 0.99 -2.12 0.00 0.00 175.29 174.01 1lr5 s THR 47 N -0.15 2.30 -0.13 -0.19 2.01 -0.52 -0.54 115.64 118.42 1lr5 s THR 47 Ca 0.02 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1lr5 s THR 47 Cb -0.02 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.62 1lr5 s THR 47 CO -0.00 0.56 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.65 1lr5 s ILE 48 N 0.01 2.14 0.69 1.82 1.01 0.13 -0.92 121.20 126.09 1lr5 s ILE 48 Ca -0.08 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1lr5 s ILE 48 Cb -0.15 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1lr5 s ILE 48 CO 0.05 0.55 1.06 -0.94 0.00 0.00 0.00 174.94 175.66 1lr5 s SER 49 N 0.72 5.47 0.10 3.58 1.04 0.42 -1.34 113.70 123.70 1lr5 s SER 49 Ca -0.09 1.52 -0.36 0.00 0.48 0.00 0.00 55.95 57.50 1lr5 s SER 49 Cb -0.16 -2.41 -0.16 0.00 0.10 0.00 0.00 66.02 63.38 1lr5 s SER 49 CO 0.00 -1.38 1.34 -2.65 0.98 0.00 0.00 173.24 171.53 1lr5 n PRO 50 N -3.08 1.24 -0.43 4.02 -0.02 -1.26 -1.09 135.00 134.38 1lr5 n PRO 50 Ca 0.07 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1lr5 n PRO 50 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1lr5 n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lr5 n GLY 51 N 2.52 1.82 3.89 -1.23 0.00 0.73 -5.01 105.19 107.92 1lr5 n GLY 51 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1lr5 n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1lr5 s GLN 52 N -0.06 3.67 0.12 1.61 -1.52 -0.25 -4.80 119.66 118.43 1lr5 s GLN 52 Ca 0.00 0.25 0.04 0.00 -1.95 0.00 0.00 55.36 53.70 1lr5 s GLN 52 Cb 0.00 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.29 1lr5 s GLN 52 CO 0.00 -0.01 -0.11 1.03 -0.25 0.00 0.00 175.29 175.95 1lr5 s ARG 53 N -4.02 0.95 0.66 2.91 0.52 -1.26 -1.18 118.95 117.53 1lr5 s ARG 53 Ca 0.48 -1.25 -0.11 0.00 -0.52 0.00 0.00 55.73 54.32 1lr5 s ARG 53 Cb -0.10 -0.65 -0.01 0.00 0.52 0.00 0.00 34.95 34.70 1lr5 s ARG 53 CO 0.35 0.10 1.05 0.95 0.02 0.00 0.00 175.30 177.77 1lr5 s THR 54 N -2.58 4.27 1.00 0.02 -4.23 -0.32 -5.00 115.64 108.79 1lr5 s THR 54 Ca 0.09 0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 61.24 1lr5 s THR 54 Cb -0.02 -3.57 0.18 0.00 1.34 0.00 0.00 72.50 70.43 1lr5 s THR 54 CO 0.01 -0.94 1.04 -2.65 -0.54 0.00 0.00 174.62 171.54 1lr5 n PRO 55 N -2.93 -1.03 -2.46 3.99 -0.02 -1.26 -4.53 135.00 126.76 1lr5 n PRO 55 Ca 0.07 -0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 1lr5 n PRO 55 Cb 0.54 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1lr5 n PRO 55 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1lr5 s ILE 56 N -2.55 4.22 0.27 4.25 1.01 -1.26 -4.58 121.20 122.55 1lr5 s ILE 56 Ca 0.67 1.56 -0.19 0.00 0.00 0.00 0.00 60.65 62.69 1lr5 s ILE 56 Cb -0.23 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1lr5 s ILE 56 CO 0.61 0.04 0.66 -1.38 0.00 0.00 0.00 174.94 174.87 1lr5 s HIS 57 N 1.83 -0.09 0.09 3.97 -3.43 -0.41 -0.55 115.29 116.70 1lr5 s HIS 57 Ca 0.57 -0.33 -0.00 0.00 -0.80 0.00 0.00 55.06 54.49 1lr5 s HIS 57 Cb -0.26 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.44 1lr5 s HIS 57 CO 0.24 -1.16 -0.01 -0.98 -2.00 0.00 0.00 174.74 170.83 1lr5 s ARG 58 N -3.93 0.79 -0.24 -0.38 1.70 -0.50 -0.74 118.95 115.65 1lr5 s ARG 58 Ca 0.13 -1.34 -0.16 0.00 -0.47 0.00 0.00 55.73 53.89 1lr5 s ARG 58 Cb -0.05 0.09 0.07 0.00 -0.57 0.00 0.00 34.95 34.50 1lr5 s ARG 58 CO 0.06 -0.14 0.61 -3.38 -1.08 0.00 0.00 175.30 171.37 1lr5 s HIS 59 N -3.87 -0.85 -1.26 5.89 -3.43 -1.26 -1.67 115.29 108.83 1lr5 s HIS 59 Ca 0.15 1.81 -0.19 0.00 -0.80 0.00 0.00 55.06 56.03 1lr5 s HIS 59 Cb 0.07 0.44 0.01 0.00 -1.43 0.00 0.00 32.58 31.67 1lr5 s HIS 59 CO -0.04 -0.43 1.85 0.45 -2.00 0.00 0.00 174.74 174.57 1lr5 n SER 60 N 3.85 4.23 -3.68 7.38 2.88 -1.26 -2.60 113.62 124.41 1lr5 n SER 60 Ca -0.19 -2.84 -0.04 0.00 -1.33 0.00 0.00 58.87 54.47 1lr5 n SER 60 Cb 0.57 -1.71 -0.01 0.00 -0.75 0.00 0.00 64.21 62.31 1lr5 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lr5 s GLU 62 N -3.10 4.09 -0.15 0.00 2.02 -1.26 -4.29 118.70 116.01 1lr5 s GLU 62 Ca 0.11 0.92 -0.06 0.00 0.02 0.00 0.00 54.97 55.96 1lr5 s GLU 62 Cb -0.00 -2.26 0.07 0.00 0.10 0.00 0.00 34.13 32.03 1lr5 s GLU 62 CO -0.01 -0.01 0.31 -2.00 0.02 0.00 0.00 175.26 173.58 1lr5 s GLU 63 N -3.29 0.21 -0.09 1.61 2.12 -1.26 -2.12 118.70 115.88 1lr5 s GLU 63 Ca 0.58 0.83 0.03 0.00 0.36 0.00 0.00 54.97 56.77 1lr5 s GLU 63 Cb -0.10 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.37 1lr5 s GLU 63 CO 0.18 -0.27 -0.19 0.08 -0.54 0.00 0.00 175.26 174.52 1lr5 s VAL 64 N 2.40 1.71 0.14 3.70 1.01 0.10 -1.21 120.40 128.25 1lr5 s VAL 64 Ca -0.00 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1lr5 s VAL 64 Cb -0.12 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1lr5 s VAL 64 CO -0.10 0.48 0.26 -0.36 0.00 0.00 0.00 175.10 175.38 1lr5 s PHE 65 N 0.49 3.44 -0.09 5.22 0.40 0.10 -1.12 117.98 126.42 1lr5 s PHE 65 Ca -0.17 0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1lr5 s PHE 65 Cb -0.17 -1.65 0.03 0.00 0.51 0.00 0.00 43.02 41.74 1lr5 s PHE 65 CO 0.06 0.52 0.01 0.95 0.70 0.00 0.00 175.22 177.46 1lr5 s THR 66 N -1.72 0.39 -0.39 0.64 -4.23 0.09 -1.84 115.64 108.58 1lr5 s THR 66 Ca 0.34 0.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.58 1lr5 s THR 66 Cb -0.11 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.14 1lr5 s THR 66 CO 0.28 0.18 1.19 -0.69 -0.54 0.00 0.00 174.62 175.04 1lr5 s VAL 67 N 1.96 4.23 -0.05 2.29 1.01 -0.33 -1.55 120.40 127.97 1lr5 s VAL 67 Ca 0.04 1.34 -0.20 0.00 0.00 0.00 0.00 61.98 63.17 1lr5 s VAL 67 Cb -0.13 -4.41 -0.31 0.00 0.00 0.00 0.00 36.38 31.53 1lr5 s VAL 67 CO -0.06 -0.72 0.84 -0.07 0.00 0.00 0.00 175.10 175.08 1lr5 h LEU 68 N 10.97 0.51 -7.56 3.92 3.38 -1.31 0.02 115.31 125.24 1lr5 h LEU 68 Ca -0.24 -0.93 -0.15 0.00 0.09 0.00 0.00 57.88 56.66 1lr5 h LEU 68 Cb 1.07 -0.17 -0.23 0.00 0.09 0.00 0.00 40.66 41.43 1lr5 h LEU 68 CO 1.08 1.50 -0.41 -0.54 0.09 0.00 0.00 178.44 180.16 1lr5 s LYS 69 N -2.47 0.44 0.16 1.13 1.02 -0.92 -4.68 119.74 114.42 1lr5 s LYS 69 Ca -0.14 0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.85 1lr5 s LYS 69 Cb 0.02 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1lr5 s LYS 69 CO 0.84 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 1lr5 n GLY 70 N 2.12 -2.47 3.17 -3.33 0.00 -1.26 -0.75 105.19 102.68 1lr5 n GLY 70 Ca -0.18 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 1lr5 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lr5 s LYS 71 N -0.33 1.00 0.01 1.61 1.02 -1.26 -1.69 119.74 120.11 1lr5 s LYS 71 Ca 0.00 -1.49 -0.06 0.00 0.02 0.00 0.00 55.97 54.44 1lr5 s LYS 71 Cb 0.00 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.50 1lr5 s LYS 71 CO 0.00 -0.27 0.29 0.41 -0.92 0.00 0.00 175.35 174.86 1lr5 n GLY 72 N -0.15 0.77 3.02 -3.33 0.00 -0.92 -4.11 105.19 100.46 1lr5 n GLY 72 Ca -0.04 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1lr5 n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lr5 s THR 73 N -2.25 1.16 -0.22 2.61 2.01 0.46 -1.19 115.64 118.22 1lr5 s THR 73 Ca 0.07 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1lr5 s THR 73 Cb -0.00 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1lr5 s THR 73 CO 0.00 0.36 0.33 -0.22 -0.69 0.00 0.00 174.62 174.41 1lr5 s LEU 74 N 0.75 4.13 -0.23 4.42 2.96 0.67 -1.33 118.68 130.05 1lr5 s LEU 74 Ca -0.13 0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 54.10 1lr5 s LEU 74 Cb -0.16 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 1lr5 s LEU 74 CO 0.03 -0.05 0.03 -0.76 -1.32 0.00 0.00 176.35 174.27 1lr5 s LEU 75 N 1.35 3.30 -0.11 -0.68 1.43 -0.09 -0.58 118.68 123.31 1lr5 s LEU 75 Ca 0.15 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1lr5 s LEU 75 Cb -0.15 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1lr5 s LEU 75 CO 0.07 -0.00 -0.15 -0.04 0.23 0.00 0.00 176.35 176.46 1lr5 s MET 76 N 1.41 3.12 0.38 1.70 -1.94 -0.68 -1.08 119.30 122.21 1lr5 s MET 76 Ca 0.05 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.34 1lr5 s MET 76 Cb -0.15 -2.51 0.04 0.00 2.01 0.00 0.00 34.83 34.22 1lr5 s MET 76 CO 0.02 0.30 0.30 0.41 -0.01 0.00 0.00 175.02 176.03 1lr5 n GLY 77 N 3.25 2.79 3.84 -0.03 0.00 -0.39 -0.56 105.19 114.09 1lr5 n GLY 77 Ca -0.18 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.22 1lr5 n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lr5 s SER 78 N -3.21 6.48 0.00 1.61 0.15 -0.02 -4.40 113.70 114.31 1lr5 s SER 78 Ca 0.22 0.57 0.23 0.00 0.70 0.00 0.00 55.95 57.68 1lr5 s SER 78 Cb -0.02 -2.13 0.15 0.00 -1.71 0.00 0.00 66.02 62.32 1lr5 s SER 78 CO 0.14 0.34 1.18 -1.54 1.20 0.00 0.00 173.24 174.55 1lr5 n SER 79 N 2.25 1.30 -0.05 5.45 3.41 -1.26 -4.00 113.62 120.71 1lr5 n SER 79 Ca -0.17 -1.05 -0.09 0.00 -0.26 0.00 0.00 58.87 57.29 1lr5 n SER 79 Cb 0.54 0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 64.87 1lr5 n SER 79 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1lr5 n SER 80 N -0.80 0.54 -3.79 4.04 3.41 -1.26 -4.88 113.62 110.88 1lr5 n SER 80 Ca 0.08 0.24 -0.30 0.00 -0.26 0.00 0.00 58.87 58.63 1lr5 n SER 80 Cb 0.38 0.35 0.24 0.00 -0.26 0.00 0.00 64.21 64.93 1lr5 n SER 80 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1lr5 s LEU 81 N -5.86 0.73 0.50 1.04 1.43 -1.26 -4.92 118.68 110.34 1lr5 s LEU 81 Ca -0.07 0.60 0.29 0.00 -1.03 0.00 0.00 54.13 53.92 1lr5 s LEU 81 Cb 0.07 -2.32 0.93 0.00 0.03 0.00 0.00 46.19 44.90 1lr5 s LEU 81 CO 0.82 -4.12 1.83 0.11 0.23 0.00 0.00 176.35 175.22 1lr5 h LYS 82 N -2.58 0.00 -4.62 1.70 1.79 -1.92 -3.45 116.57 107.50 1lr5 h LYS 82 Ca -0.44 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.78 1lr5 h LYS 82 Cb 1.29 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.79 1lr5 h LYS 82 CO 0.33 0.00 -0.63 1.52 -1.08 0.00 0.00 179.45 179.60 1lr5 s TYR 83 N -3.47 1.17 0.23 -1.35 -0.85 -1.26 -0.89 117.35 110.92 1lr5 s TYR 83 Ca 0.04 -1.30 -0.08 0.00 -0.52 0.00 0.00 57.07 55.21 1lr5 s TYR 83 Cb 0.07 -0.61 0.25 0.00 0.38 0.00 0.00 41.96 42.06 1lr5 s TYR 83 CO 0.60 -0.55 1.87 -1.35 -1.52 0.00 0.00 175.55 174.60 1lr5 h PRO 84 N 2.63 0.98 -0.36 -3.49 0.11 -1.68 -3.42 132.00 126.78 1lr5 h PRO 84 Ca -0.36 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.73 1lr5 h PRO 84 Cb 1.24 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1lr5 h PRO 84 CO 0.56 0.65 -0.07 0.41 -0.21 0.00 0.00 178.00 179.34 1lr5 n GLY 85 N -1.32 -1.51 3.67 -0.55 0.00 -0.01 -0.84 105.19 104.64 1lr5 n GLY 85 Ca 0.10 -1.49 -0.47 0.00 0.00 0.00 0.00 46.02 44.16 1lr5 n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lr5 n GLN 86 N -1.69 2.08 -2.54 1.61 1.13 -1.26 -4.79 117.38 111.92 1lr5 n GLN 86 Ca -0.00 0.75 -0.34 0.00 -1.94 0.00 0.00 57.00 55.47 1lr5 n GLN 86 Cb 0.07 -2.54 -0.03 0.00 0.11 0.00 0.00 30.24 27.85 1lr5 n GLN 86 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1lr5 s PRO 87 N 1.96 3.82 0.44 -1.09 0.04 -1.26 -4.89 135.00 134.02 1lr5 s PRO 87 Ca 0.84 1.38 -0.23 0.00 0.04 0.00 0.00 61.00 63.03 1lr5 s PRO 87 Cb -0.71 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.62 1lr5 s PRO 87 CO 0.43 -0.42 1.09 -0.65 0.04 0.00 0.00 177.00 177.49 1lr5 s GLN 88 N -3.17 3.95 -0.26 4.56 -0.21 0.27 -4.83 119.66 119.98 1lr5 s GLN 88 Ca 0.67 1.57 0.01 0.00 0.02 0.00 0.00 55.36 57.63 1lr5 s GLN 88 Cb -0.17 -2.40 0.05 0.00 1.00 0.00 0.00 33.01 31.49 1lr5 s GLN 88 CO 0.21 -0.34 -0.09 -1.21 -2.12 0.00 0.00 175.29 171.73 1lr5 s GLU 89 N -2.72 2.45 -0.17 2.91 2.02 -1.26 -1.69 118.70 120.24 1lr5 s GLU 89 Ca 0.62 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1lr5 s GLU 89 Cb -0.23 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.09 1lr5 s GLU 89 CO 0.28 -0.51 -0.17 0.42 0.02 0.00 0.00 175.26 175.30 1lr5 s ILE 90 N 1.18 2.37 0.55 -1.63 1.09 0.25 -4.95 121.20 120.07 1lr5 s ILE 90 Ca -0.05 -0.85 -0.18 0.00 -1.10 0.00 0.00 60.65 58.46 1lr5 s ILE 90 Cb -0.19 -2.00 -0.06 0.00 -1.06 0.00 0.00 42.46 39.16 1lr5 s ILE 90 CO -0.05 0.52 1.08 -2.16 -0.10 0.00 0.00 174.94 174.23 1lr5 s PRO 91 N 1.12 3.44 0.12 2.79 0.04 -1.26 -0.24 135.00 141.01 1lr5 s PRO 91 Ca 0.01 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.39 1lr5 s PRO 91 Cb -0.14 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1lr5 s PRO 91 CO -0.07 -0.74 0.13 -0.59 0.04 0.00 0.00 177.00 175.78 1lr5 s PHE 92 N -2.08 0.53 0.28 0.56 -0.12 -0.33 -4.87 117.98 111.95 1lr5 s PHE 92 Ca 0.68 -0.95 -0.05 0.00 -0.05 0.00 0.00 56.93 56.57 1lr5 s PHE 92 Cb -0.19 -0.26 0.02 0.00 -0.63 0.00 0.00 43.02 41.96 1lr5 s PHE 92 CO 0.29 -0.56 0.45 1.97 -0.05 0.00 0.00 175.22 177.31 1lr5 n PHE 93 N -0.09 -1.48 -1.70 3.49 1.16 -1.26 -2.16 117.46 115.42 1lr5 n PHE 93 Ca -0.09 -1.67 -0.43 0.00 -1.87 0.00 0.00 57.45 53.38 1lr5 n PHE 93 Cb 0.63 0.51 -0.02 0.00 -1.61 0.00 0.00 39.48 38.99 1lr5 n PHE 93 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 1lr5 n GLN 94 N -0.43 2.22 -1.84 3.97 7.27 -0.68 -2.20 117.38 125.69 1lr5 n GLN 94 Ca -0.02 0.79 -0.09 0.00 0.07 0.00 0.00 57.00 57.75 1lr5 n GLN 94 Cb 0.45 -2.45 -0.02 0.00 2.41 0.00 0.00 30.24 30.63 1lr5 n GLN 94 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1lr5 n ASN 95 N 1.65 -3.44 -4.95 1.69 2.85 -0.01 -5.02 115.26 108.05 1lr5 n ASN 95 Ca 0.08 0.07 -0.19 0.00 -0.11 0.00 0.00 54.58 54.44 1lr5 n ASN 95 Cb 0.34 -2.36 -0.01 0.00 1.24 0.00 0.00 39.78 38.99 1lr5 n ASN 95 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1lr5 s THR 96 N -2.40 3.03 0.03 -0.44 -4.23 -0.94 -4.90 115.64 105.80 1lr5 s THR 96 Ca 0.00 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1lr5 s THR 96 Cb 0.00 -3.06 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 1lr5 s THR 96 CO 0.00 -0.03 -0.04 0.28 -0.54 0.00 0.00 174.62 174.28 1lr5 s THR 97 N -2.37 0.27 -0.18 3.99 -1.32 -1.26 -1.18 115.64 113.58 1lr5 s THR 97 Ca 0.50 -1.11 -0.13 0.00 -1.21 0.00 0.00 61.69 59.74 1lr5 s THR 97 Cb -0.07 -0.57 0.05 0.00 -1.51 0.00 0.00 72.50 70.40 1lr5 s THR 97 CO 0.30 -0.55 0.46 0.72 -2.21 0.00 0.00 174.62 173.34 1lr5 s PHE 98 N -1.84 -0.60 -0.23 9.09 -0.12 -0.77 -4.97 117.98 118.54 1lr5 s PHE 98 Ca -0.10 1.34 -0.08 0.00 -0.05 0.00 0.00 56.93 58.04 1lr5 s PHE 98 Cb -0.07 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 1lr5 s PHE 98 CO -0.02 -0.31 0.08 0.45 -0.05 0.00 0.00 175.22 175.36 1lr5 s SER 99 N 0.90 5.39 -0.26 1.98 0.15 -1.26 -0.72 113.70 119.87 1lr5 s SER 99 Ca -0.05 -0.09 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 1lr5 s SER 99 Cb -0.06 -1.95 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 1lr5 s SER 99 CO -0.07 0.04 1.11 -0.63 1.20 0.00 0.00 173.24 174.88 1lr5 s ILE 100 N 1.19 4.52 0.14 6.45 -1.09 -0.35 -4.97 121.20 127.09 1lr5 s ILE 100 Ca 0.05 1.80 -0.34 0.00 -2.23 0.00 0.00 60.65 59.92 1lr5 s ILE 100 Cb -0.14 -4.29 -0.16 0.00 -1.58 0.00 0.00 42.46 36.29 1lr5 s ILE 100 CO 0.04 -0.31 1.25 -2.65 -1.23 0.00 0.00 174.94 172.04 1lr5 n PRO 101 N 6.64 1.22 -1.66 2.79 -0.02 -1.26 -4.25 135.00 138.46 1lr5 n PRO 101 Ca 0.12 0.44 -0.56 0.00 -2.02 0.00 0.00 63.50 61.48 1lr5 n PRO 101 Cb 0.46 -2.00 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1lr5 n PRO 101 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1lr5 n VAL 102 N 1.94 0.18 -0.88 -1.45 0.31 -1.26 -1.53 118.33 115.63 1lr5 n VAL 102 Ca 0.16 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1lr5 n VAL 102 Cb 0.23 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1lr5 n VAL 102 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1lr5 n ASN 103 N 4.20 -0.94 -4.78 4.52 4.05 -1.07 -4.94 115.26 116.30 1lr5 n ASN 103 Ca 0.24 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.90 1lr5 n ASN 103 Cb 0.14 -0.93 -0.02 0.00 1.23 0.00 0.00 39.78 40.20 1lr5 n ASN 103 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1lr5 s ASP 104 N -2.53 6.34 0.12 1.20 1.01 -0.58 -4.56 116.67 117.67 1lr5 s ASP 104 Ca 0.00 2.14 -0.30 0.00 0.71 0.00 0.00 52.55 55.10 1lr5 s ASP 104 Cb 0.00 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 1lr5 s ASP 104 CO 0.00 -0.79 1.05 -2.16 0.21 0.00 0.00 175.17 173.48 1lr5 s PRO 105 N -2.79 4.61 0.27 8.23 0.04 -1.26 -4.54 135.00 139.56 1lr5 s PRO 105 Ca 0.63 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 1lr5 s PRO 105 Cb -0.24 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 30.98 1lr5 s PRO 105 CO 0.29 0.07 0.64 -3.38 0.04 0.00 0.00 177.00 174.66 1lr5 s HIS 106 N 0.13 0.03 -0.16 0.56 -3.43 0.09 -1.26 115.29 111.24 1lr5 s HIS 106 Ca 0.50 -0.47 -0.14 0.00 -0.80 0.00 0.00 55.06 54.15 1lr5 s HIS 106 Cb -0.26 0.53 0.04 0.00 -1.43 0.00 0.00 32.58 31.46 1lr5 s HIS 106 CO 0.32 -1.17 0.43 -1.14 -2.00 0.00 0.00 174.74 171.17 1lr5 s GLN 107 N -3.86 0.48 -0.19 -0.38 0.74 -0.24 -1.29 119.66 114.92 1lr5 s GLN 107 Ca 0.15 0.63 -0.06 0.00 0.05 0.00 0.00 55.36 56.13 1lr5 s GLN 107 Cb -0.04 0.20 -0.03 0.00 1.10 0.00 0.00 33.01 34.24 1lr5 s GLN 107 CO 0.08 -0.07 0.02 0.08 -0.55 0.00 0.00 175.29 174.85 1lr5 s VAL 108 N 0.41 4.26 -0.12 1.34 1.01 -1.26 -0.91 120.40 125.13 1lr5 s VAL 108 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1lr5 s VAL 108 Cb -0.04 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1lr5 s VAL 108 CO -0.01 0.45 -0.17 0.86 0.00 0.00 0.00 175.10 176.22 1lr5 s TRP 109 N 0.66 2.20 -1.01 5.22 -0.00 -0.44 -1.17 118.94 124.39 1lr5 s TRP 109 Ca 0.01 -1.08 -0.23 0.00 -0.00 0.00 0.00 56.10 54.79 1lr5 s TRP 109 Cb -0.14 -1.56 0.05 0.00 -0.00 0.00 0.00 33.47 31.83 1lr5 s TRP 109 CO 0.02 -0.54 1.44 1.21 -0.00 0.00 0.00 176.95 179.08 1lr5 s ASN 110 N 1.00 6.50 0.00 5.86 3.04 -0.32 -0.41 114.94 130.60 1lr5 s ASN 110 Ca -0.05 -1.44 0.23 0.00 0.04 0.00 0.00 52.86 51.64 1lr5 s ASN 110 Cb -0.15 -2.57 1.32 0.00 -1.54 0.00 0.00 41.25 38.31 1lr5 s ASN 110 CO -0.03 -1.51 1.86 -1.54 -3.04 0.00 0.00 177.10 172.84 1lr5 n SER 111 N 8.87 0.20 -4.80 -4.21 3.41 -1.26 -0.19 113.62 115.64 1lr5 n SER 111 Ca 0.32 -1.32 -0.35 0.00 -0.26 0.00 0.00 58.87 57.27 1lr5 n SER 111 Cb 0.51 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1lr5 n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lr5 s ASP 112 N -1.72 6.59 0.07 4.04 -1.08 -1.26 -4.83 116.67 118.47 1lr5 s ASP 112 Ca 0.35 1.92 -0.11 0.00 -0.52 0.00 0.00 52.55 54.19 1lr5 s ASP 112 Cb 0.16 -2.57 -0.27 0.00 -1.46 0.00 0.00 42.92 38.79 1lr5 s ASP 112 CO 0.27 -0.61 1.12 -0.33 0.52 0.00 0.00 175.17 176.15 1lr5 h GLU 113 N 1.95 0.49 0.00 4.34 5.08 -1.96 -3.22 114.58 121.27 1lr5 h GLU 113 Ca -0.49 -0.70 -0.17 0.00 -1.00 0.00 0.00 59.36 57.00 1lr5 h GLU 113 Cb 1.21 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1lr5 h GLU 113 CO 0.60 1.31 -1.62 -2.39 -1.00 0.00 0.00 179.01 175.91 1lr5 n HIS 114 N -3.70 0.00 -4.12 4.33 1.44 -1.26 -4.85 115.22 107.06 1lr5 n HIS 114 Ca -0.12 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.31 1lr5 n HIS 114 Cb 1.00 -0.44 -0.07 0.00 0.12 0.00 0.00 29.99 30.59 1lr5 n HIS 114 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1lr5 s GLU 115 N -2.22 2.67 0.55 -1.40 -1.05 -1.26 -4.87 118.70 111.12 1lr5 s GLU 115 Ca -0.06 -0.90 -0.20 0.00 -0.15 0.00 0.00 54.97 53.66 1lr5 s GLU 115 Cb 0.03 -2.55 -0.05 0.00 -0.44 0.00 0.00 34.13 31.11 1lr5 s GLU 115 CO 0.35 0.50 1.19 -0.51 0.95 0.00 0.00 175.26 177.75 1lr5 s ASP 116 N -2.76 5.54 -0.22 0.83 1.01 -1.26 -4.33 116.67 115.47 1lr5 s ASP 116 Ca 0.28 2.35 -0.06 0.00 0.71 0.00 0.00 52.55 55.84 1lr5 s ASP 116 Cb -0.11 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 1lr5 s ASP 116 CO 0.21 -1.35 0.02 -0.22 0.21 0.00 0.00 175.17 174.03 1lr5 s LEU 117 N -3.73 3.26 -0.12 1.23 2.96 -0.45 -4.01 118.68 117.83 1lr5 s LEU 117 Ca 0.73 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.43 1lr5 s LEU 117 Cb -0.29 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.55 1lr5 s LEU 117 CO 0.33 0.01 -0.23 -1.58 -1.32 0.00 0.00 176.35 173.56 1lr5 s GLN 118 N 1.35 2.99 0.09 1.98 0.74 0.07 0.21 119.66 127.08 1lr5 s GLN 118 Ca 0.05 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.63 1lr5 s GLN 118 Cb -0.15 -2.33 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 1lr5 s GLN 118 CO 0.01 0.08 -0.08 0.14 -0.55 0.00 0.00 175.29 174.89 1lr5 s VAL 119 N 0.57 0.78 -0.16 1.34 -7.23 0.30 -0.80 120.40 115.20 1lr5 s VAL 119 Ca -0.13 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.35 1lr5 s VAL 119 Cb -0.17 -1.34 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 1lr5 s VAL 119 CO 0.04 -0.64 -0.02 -0.22 -0.31 0.00 0.00 175.10 173.94 1lr5 s LEU 120 N -2.51 3.31 -0.08 1.32 2.96 -0.60 -1.40 118.68 121.68 1lr5 s LEU 120 Ca 0.05 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1lr5 s LEU 120 Cb -0.01 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.88 1lr5 s LEU 120 CO -0.02 0.16 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.30 1lr5 s VAL 121 N 0.40 1.62 -0.15 1.68 1.01 0.55 -0.73 120.40 124.78 1lr5 s VAL 121 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1lr5 s VAL 121 Cb -0.14 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1lr5 s VAL 121 CO 0.03 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 174.76 1lr5 s ILE 122 N 0.51 2.22 0.19 2.22 1.01 -0.27 -0.29 121.20 126.78 1lr5 s ILE 122 Ca -0.17 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 59.66 1lr5 s ILE 122 Cb -0.17 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1lr5 s ILE 122 CO 0.06 0.54 -0.21 0.27 0.00 0.00 0.00 174.94 175.60 1lr5 s ILE 123 N 0.84 2.12 0.65 2.92 -4.36 0.02 0.01 121.20 123.40 1lr5 s ILE 123 Ca -0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.39 1lr5 s ILE 123 Cb -0.15 -2.01 0.12 0.00 1.25 0.00 0.00 42.46 41.67 1lr5 s ILE 123 CO -0.02 -0.22 0.90 -0.94 0.24 0.00 0.00 174.94 174.90 1lr5 s SER 124 N -2.72 4.71 -1.59 4.36 1.04 -0.90 -1.22 113.70 117.38 1lr5 s SER 124 Ca 0.19 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 55.70 1lr5 s SER 124 Cb -0.07 0.37 0.11 0.00 0.10 0.00 0.00 66.02 66.54 1lr5 s SER 124 CO 0.09 -1.64 0.88 0.54 0.98 0.00 0.00 173.24 174.09 1lr5 n ARG 125 N -2.52 -4.49 -1.73 4.02 1.74 -1.22 -4.60 116.66 107.86 1lr5 n ARG 125 Ca 0.17 0.50 -0.33 0.00 -0.77 0.00 0.00 57.85 57.42 1lr5 n ARG 125 Cb 0.62 -5.29 0.05 0.00 -1.02 0.00 0.00 32.46 26.81 1lr5 n ARG 125 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1lr5 s PRO 126 N -6.73 2.77 0.79 5.56 0.04 -1.26 -4.55 135.00 131.63 1lr5 s PRO 126 Ca 0.65 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 1lr5 s PRO 126 Cb -0.34 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.32 1lr5 s PRO 126 CO 0.87 -1.27 1.13 -1.25 0.04 0.00 0.00 177.00 176.52 1lr5 s PRO 127 N -4.16 2.12 0.39 0.56 0.04 -1.26 -4.88 135.00 127.81 1lr5 s PRO 127 Ca 0.66 0.36 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 1lr5 s PRO 127 Cb -0.20 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1lr5 s PRO 127 CO 0.43 -1.53 1.28 0.00 0.04 0.00 0.00 177.00 177.22 1lr5 s ALA 128 N -3.37 3.28 -0.57 8.56 0.00 -1.26 -5.00 121.76 123.40 1lr5 s ALA 128 Ca 0.61 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.76 1lr5 s ALA 128 Cb -0.12 -3.47 0.15 0.00 0.00 0.00 0.00 23.12 19.67 1lr5 s ALA 128 CO 0.52 -0.76 0.36 0.15 0.00 0.00 0.00 175.76 176.03 1lr5 s LYS 129 N -2.18 2.33 -0.17 0.00 -0.14 -1.26 -4.54 119.74 113.77 1lr5 s LYS 129 Ca 0.56 -2.47 -0.12 0.00 -1.36 0.00 0.00 55.97 52.58 1lr5 s LYS 129 Cb -0.37 -3.59 -0.05 0.00 -1.68 0.00 0.00 37.83 32.14 1lr5 s LYS 129 CO 0.48 -1.14 0.23 0.42 -0.76 0.00 0.00 175.35 174.58 1lr5 s ILE 130 N 0.02 5.35 -0.15 2.17 1.01 -1.26 -4.23 121.20 124.11 1lr5 s ILE 130 Ca 0.16 0.41 -0.06 0.00 0.00 0.00 0.00 60.65 61.16 1lr5 s ILE 130 Cb -0.22 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1lr5 s ILE 130 CO -0.03 0.41 0.06 -0.36 0.00 0.00 0.00 174.94 175.03 1lr5 s PHE 131 N 0.38 3.29 -0.14 3.97 0.40 -0.67 -0.57 117.98 124.63 1lr5 s PHE 131 Ca 0.13 0.17 -0.05 0.00 -0.60 0.00 0.00 56.93 56.59 1lr5 s PHE 131 Cb -0.12 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 1lr5 s PHE 131 CO 0.02 0.32 0.02 -0.51 0.70 0.00 0.00 175.22 175.77 1lr5 s LEU 132 N -0.15 3.59 -0.14 -0.37 1.43 0.14 -1.41 118.68 121.76 1lr5 s LEU 132 Ca 0.07 0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 1lr5 s LEU 132 Cb -0.12 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1lr5 s LEU 132 CO 0.01 0.24 0.12 -0.31 0.23 0.00 0.00 176.35 176.64 1lr5 s TYR 133 N -0.03 3.47 -0.44 0.29 1.51 0.29 -1.50 117.35 120.94 1lr5 s TYR 133 Ca 0.04 0.40 0.23 0.00 -1.01 0.00 0.00 57.07 56.73 1lr5 s TYR 133 Cb -0.13 -1.99 0.34 0.00 -0.11 0.00 0.00 41.96 40.07 1lr5 s TYR 133 CO 0.02 0.55 1.55 0.38 -1.11 0.00 0.00 175.55 176.94 1lr5 h ASP 134 N 5.56 0.00 -5.02 2.29 2.03 -1.94 -3.38 116.42 115.96 1lr5 h ASP 134 Ca -0.50 -0.00 0.05 0.00 -0.73 0.00 0.00 57.03 55.85 1lr5 h ASP 134 Cb 1.20 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.65 1lr5 h ASP 134 CO 0.63 0.00 0.21 -0.62 -1.03 0.00 0.00 179.24 178.43 1lr5 s ASP 135 N -5.93 -0.21 0.23 4.15 2.15 -1.26 -5.03 116.67 110.77 1lr5 s ASP 135 Ca 0.06 -0.70 0.24 0.00 0.43 0.00 0.00 52.55 52.58 1lr5 s ASP 135 Cb 0.06 0.74 0.94 0.00 -0.30 0.00 0.00 42.92 44.35 1lr5 s ASP 135 CO 0.68 -1.38 1.72 0.79 -0.17 0.00 0.00 175.17 176.81 1lr5 n TRP 136 N -0.46 0.78 -0.37 -5.34 7.02 -1.26 -2.35 117.44 115.45 1lr5 n TRP 136 Ca -0.04 0.29 0.09 0.00 -1.02 0.00 0.00 57.50 56.81 1lr5 n TRP 136 Cb 0.59 -0.97 0.26 0.00 -2.42 0.00 0.00 31.31 28.78 1lr5 n TRP 136 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1lr5 n SER 137 N -2.19 3.72 -4.68 -0.99 3.41 -1.26 -0.83 113.62 110.80 1lr5 n SER 137 Ca 0.03 -2.12 -0.42 0.00 -0.26 0.00 0.00 58.87 56.09 1lr5 n SER 137 Cb 0.27 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1lr5 n SER 137 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1lr5 s MET 138 N -1.23 4.26 0.45 4.33 0.00 -0.99 -4.82 119.30 121.30 1lr5 s MET 138 Ca 0.40 1.94 -0.24 0.00 0.00 0.00 0.00 55.69 57.79 1lr5 s MET 138 Cb 0.22 -3.67 -0.09 0.00 0.00 0.00 0.00 34.83 31.29 1lr5 s MET 138 CO 0.24 -0.64 1.11 -2.30 0.00 0.00 0.00 175.02 173.44 1lr5 n PRO 139 N 5.86 1.50 -0.30 4.11 -0.02 -1.26 -4.22 135.00 140.66 1lr5 n PRO 139 Ca 0.14 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 62.19 1lr5 n PRO 139 Cb 0.44 -2.20 0.18 0.00 -0.02 0.00 0.00 33.50 31.89 1lr5 n PRO 139 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1lr5 h HIS 140 N 1.57 0.89 0.00 6.00 3.86 -1.36 -1.34 115.15 124.78 1lr5 h HIS 140 Ca -0.46 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1lr5 h HIS 140 Cb 1.33 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1lr5 h HIS 140 CO 0.44 0.36 0.00 0.25 0.86 0.00 0.00 177.93 179.84 1lr5 n THR 141 N -4.73 0.90 0.95 2.45 -2.24 -1.26 -2.11 114.28 108.25 1lr5 n THR 141 Ca 0.14 0.42 0.10 0.00 -2.27 0.00 0.00 64.05 62.44 1lr5 n THR 141 Cb 0.29 -1.38 -0.12 0.00 -2.10 0.00 0.00 70.33 67.03 1lr5 n THR 141 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lr5 n ALA 142 N -1.78 4.66 -1.74 6.98 0.00 -0.53 -4.98 120.51 123.12 1lr5 n ALA 142 Ca 0.01 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.49 1lr5 n ALA 142 Cb 0.16 -0.75 0.06 0.00 0.00 0.00 0.00 19.45 18.91 1lr5 n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lr5 s ALA 143 N -2.98 2.56 -0.17 0.00 0.00 -0.90 -4.94 121.76 115.34 1lr5 s ALA 143 Ca 0.07 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 1lr5 s ALA 143 Cb 0.16 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1lr5 s ALA 143 CO 0.85 -1.53 0.17 0.08 0.00 0.00 0.00 175.76 175.33 1lr5 s VAL 144 N -1.34 5.40 0.12 0.00 1.01 -0.56 -4.74 120.40 120.29 1lr5 s VAL 144 Ca 0.78 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1lr5 s VAL 144 Cb -0.39 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 1lr5 s VAL 144 CO 0.44 0.47 1.14 -0.22 0.00 0.00 0.00 175.10 176.93 1lr5 s LEU 145 N 0.05 4.43 -0.54 3.92 2.96 -1.26 0.24 118.68 128.48 1lr5 s LEU 145 Ca 0.12 2.05 0.04 0.00 -0.22 0.00 0.00 54.13 56.11 1lr5 s LEU 145 Cb -0.12 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.12 1lr5 s LEU 145 CO 0.01 -0.34 0.31 -0.75 -1.32 0.00 0.00 176.35 174.27 1lr5 s LYS 146 N 0.28 1.86 -0.06 1.98 2.47 0.27 -4.95 119.74 121.59 1lr5 s LYS 146 Ca 0.53 -2.61 -0.00 0.00 -1.56 0.00 0.00 55.97 52.34 1lr5 s LYS 146 Cb -0.29 -2.98 0.02 0.00 -1.46 0.00 0.00 37.83 33.12 1lr5 s LYS 146 CO 0.32 -1.18 -0.02 0.12 0.16 0.00 0.00 175.35 174.75 1lr5 s PHE 147 N -0.38 0.70 0.55 4.03 5.36 -1.26 -2.73 117.98 124.23 1lr5 s PHE 147 Ca 0.20 -0.19 -0.21 0.00 -0.96 0.00 0.00 56.93 55.77 1lr5 s PHE 147 Cb -0.19 -0.72 -0.05 0.00 -0.34 0.00 0.00 43.02 41.72 1lr5 s PHE 147 CO -0.05 -0.25 1.24 -1.25 -1.46 0.00 0.00 175.22 173.45 1lr5 s PRO 148 N 1.41 3.22 1.08 10.12 0.04 -1.26 -5.13 135.00 144.46 1lr5 s PRO 148 Ca -0.04 1.94 -0.14 0.00 0.04 0.00 0.00 61.00 62.81 1lr5 s PRO 148 Cb -0.13 -2.15 0.23 0.00 0.04 0.00 0.00 34.50 32.49 1lr5 s PRO 148 CO -0.03 -1.04 1.08 0.12 0.04 0.00 0.00 177.00 177.17 1lr5 s PHE 149 N -1.49 1.67 0.23 0.56 2.19 -1.11 -4.65 117.98 115.38 1lr5 s PHE 149 Ca 0.72 0.91 -0.07 0.00 0.33 0.00 0.00 56.93 58.82 1lr5 s PHE 149 Cb -0.33 -3.26 0.33 0.00 -1.31 0.00 0.00 43.02 38.44 1lr5 s PHE 149 CO 0.38 -3.29 1.79 -0.39 1.83 0.00 0.00 175.22 175.53 1lr5 h VAL 150 N -2.18 0.88 0.00 3.12 -1.51 -1.94 0.38 116.25 115.00 1lr5 h VAL 150 Ca -0.55 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1lr5 h VAL 150 Cb 1.33 0.17 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1lr5 h VAL 150 CO 0.53 0.12 0.00 -2.67 -1.23 0.00 0.00 177.57 174.32 1lr5 n TRP 151 N -4.83 0.00 0.26 5.19 2.14 -1.26 -3.18 117.44 115.76 1lr5 n TRP 151 Ca 0.11 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.71 1lr5 n TRP 151 Cb 0.25 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.73 1lr5 n TRP 151 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1lr5 n ASP 152 N -0.98 0.44 -0.05 -0.67 8.00 0.07 -4.77 116.55 118.59 1lr5 n ASP 152 Ca 0.20 -0.72 -0.08 0.00 0.71 0.00 0.00 54.79 54.90 1lr5 n ASP 152 Cb 0.09 0.85 -0.01 0.00 -0.02 0.00 0.00 41.12 42.03 1lr5 n ASP 152 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1lr5 h GLU 153 N 0.18 -0.19 -0.40 -1.24 5.08 -1.37 0.10 114.58 116.74 1lr5 h GLU 153 Ca 0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1lr5 h GLU 153 Cb 0.15 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1lr5 h GLU 153 CO 0.00 -0.13 0.20 -0.44 -1.00 0.00 0.00 179.01 177.64 1lr5 h ASP 154 N -0.20 0.51 1.36 1.42 3.32 -1.86 -2.08 116.42 118.88 1lr5 h ASP 154 Ca 0.14 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1lr5 h ASP 154 Cb 0.42 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1lr5 h ASP 154 CO -0.37 0.48 -0.30 0.00 -1.72 0.00 0.00 179.24 177.32 1lr5 h PHE 156 N 0.00 0.35 -0.49 0.00 3.57 -0.42 -2.22 116.94 117.73 1lr5 h PHE 156 Ca -0.00 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 1lr5 h PHE 156 Cb 1.06 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1lr5 h PHE 156 CO 0.00 0.53 0.01 0.93 -2.23 0.00 0.00 178.31 177.55 1lr5 h GLU 157 N 0.08 0.85 0.00 1.11 4.39 -1.42 -2.53 114.58 117.06 1lr5 h GLU 157 Ca 0.05 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1lr5 h GLU 157 Cb 0.39 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1lr5 h GLU 157 CO 0.01 0.88 -0.02 0.00 -1.16 0.00 0.00 179.01 178.72 1lr5 h ALA 158 N 0.93 1.13 0.00 3.43 0.00 -1.40 -3.52 119.26 119.84 1lr5 h ALA 158 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1lr5 h ALA 158 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1lr5 h ALA 158 CO 0.02 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.30