#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw5 n PRO 2 N 0.00 -0.06 -4.36 1.96 -0.02 -1.26 -4.98 135.00 126.28 1rw5 n PRO 2 Ca 0.00 0.02 -0.34 0.00 -2.02 0.00 0.00 63.50 61.16 1rw5 n PRO 2 Cb 0.00 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.73 1rw5 n PRO 2 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rw5 s ILE 3 N -2.17 4.11 -0.89 4.25 1.01 -1.26 -4.65 121.20 121.61 1rw5 s ILE 3 Ca 0.56 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1rw5 s ILE 3 Cb -0.25 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1rw5 s ILE 3 CO 0.68 0.53 0.75 0.00 0.00 0.00 0.00 174.94 176.90 1rw5 n PRO 5 N -2.65 1.15 -0.04 0.00 -0.04 -1.26 -4.86 135.00 127.30 1rw5 n PRO 5 Ca -0.08 0.44 0.20 0.00 -0.04 0.00 0.00 63.50 64.02 1rw5 n PRO 5 Cb 0.57 -2.37 0.66 0.00 -0.04 0.00 0.00 33.50 32.32 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1rw5 h GLY 6 N 0.74 0.13 0.83 0.55 0.00 -2.00 0.91 103.07 104.21 1rw5 h GLY 6 Ca -0.50 -0.03 0.12 0.00 0.00 0.00 0.00 47.33 46.92 1rw5 h GLY 6 CO 0.53 0.01 0.47 -1.33 0.00 0.00 0.00 176.54 176.22 1rw5 h GLY 7 N 0.08 0.72 -7.02 4.60 0.00 -2.02 -3.36 103.07 96.07 1rw5 h GLY 7 Ca 0.28 -0.20 -0.62 0.00 0.00 0.00 0.00 47.33 46.80 1rw5 h GLY 7 CO -0.02 0.09 0.41 0.00 0.00 0.00 0.00 176.54 177.02 1rw5 s ALA 8 N -5.45 3.28 0.39 3.60 0.00 0.31 -4.89 121.76 119.00 1rw5 s ALA 8 Ca -0.08 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.03 1rw5 s ALA 8 Cb 0.20 -3.52 0.80 0.00 0.00 0.00 0.00 23.12 20.61 1rw5 s ALA 8 CO 0.76 -1.96 1.90 0.00 0.00 0.00 0.00 175.76 176.46 1rw5 h ALA 9 N 9.01 1.50 -2.06 0.00 0.00 -1.83 -3.30 119.26 122.58 1rw5 h ALA 9 Ca -0.25 -0.23 -0.57 0.00 0.00 0.00 0.00 54.91 53.86 1rw5 h ALA 9 Cb 1.08 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 1rw5 h ALA 9 CO 0.98 0.36 -0.97 2.89 0.00 0.00 0.00 179.25 182.51 1rw5 n ARG 10 N -4.24 1.18 -1.00 0.00 0.00 -1.26 -5.11 116.66 106.23 1rw5 n ARG 10 Ca -0.01 -3.60 -0.34 0.00 -0.00 0.00 0.00 57.85 53.89 1rw5 n ARG 10 Cb 0.30 -1.50 0.11 0.00 -0.00 0.00 0.00 32.46 31.37 1rw5 n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rw5 s GLN 12 N -3.59 4.56 0.13 0.00 -0.21 -1.26 -5.04 119.66 114.26 1rw5 s GLN 12 Ca 0.64 1.91 0.06 0.00 0.02 0.00 0.00 55.36 57.99 1rw5 s GLN 12 Cb -0.27 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 1rw5 s GLN 12 CO 0.60 0.11 -0.13 0.14 -2.12 0.00 0.00 175.29 173.88 1rw5 s VAL 13 N -1.16 1.32 0.00 1.09 -7.23 -1.26 -4.95 120.40 108.21 1rw5 s VAL 13 Ca 0.46 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.64 1rw5 s VAL 13 Cb -0.34 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 1rw5 s VAL 13 CO 0.44 -0.48 0.57 -0.89 -0.31 0.00 0.00 175.10 174.43 1rw5 s THR 14 N -2.37 4.91 0.26 5.32 2.01 -1.26 -4.96 115.64 119.55 1rw5 s THR 14 Ca 0.11 1.19 -0.02 0.00 0.31 0.00 0.00 61.69 63.27 1rw5 s THR 14 Cb -0.04 -3.90 0.25 0.00 0.01 0.00 0.00 72.50 68.82 1rw5 s THR 14 CO 0.03 0.44 1.85 0.25 -0.69 0.00 0.00 174.62 176.51 1rw5 h LEU 15 N 5.47 0.92 -0.21 4.42 5.85 -1.99 -1.94 115.31 127.83 1rw5 h LEU 15 Ca -0.46 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1rw5 h LEU 15 Cb 1.20 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1rw5 h LEU 15 CO 0.68 0.56 0.13 -0.09 -0.34 0.00 0.00 178.44 179.38 1rw5 h ARG 16 N 1.04 0.29 0.60 1.25 2.43 -1.95 0.11 114.38 118.14 1rw5 h ARG 16 Ca 0.43 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.55 1rw5 h ARG 16 Cb 0.27 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1rw5 h ARG 16 CO -0.21 0.23 -0.42 0.22 -1.51 0.00 0.00 179.97 178.28 1rw5 h ASP 17 N 0.27 -1.09 -0.63 -3.80 3.58 -1.76 0.82 116.42 113.80 1rw5 h ASP 17 Ca 0.08 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1rw5 h ASP 17 Cb 0.01 0.33 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1rw5 h ASP 17 CO -0.01 -0.62 0.25 -0.07 -2.88 0.00 0.00 179.24 175.91 1rw5 h LEU 18 N -0.97 0.88 -0.33 2.28 3.38 -1.52 -1.09 115.31 117.95 1rw5 h LEU 18 Ca -0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1rw5 h LEU 18 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1rw5 h LEU 18 CO 0.05 0.82 0.11 0.15 0.09 0.00 0.00 178.44 179.66 1rw5 h PHE 19 N 0.89 0.53 -0.97 1.13 3.57 -0.87 0.29 116.94 121.52 1rw5 h PHE 19 Ca 0.21 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1rw5 h PHE 19 Cb 0.22 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1rw5 h PHE 19 CO 0.01 0.52 0.64 0.22 -2.23 0.00 0.00 178.31 177.47 1rw5 h ASP 20 N 0.38 1.07 -0.25 0.41 3.58 0.93 0.29 116.42 122.84 1rw5 h ASP 20 Ca 0.11 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 1rw5 h ASP 20 Cb 0.23 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1rw5 h ASP 20 CO -0.00 0.74 -0.35 -0.09 -2.88 0.00 0.00 179.24 176.66 1rw5 h ARG 21 N 1.25 0.68 -0.27 0.28 2.43 -0.79 -2.55 114.38 115.40 1rw5 h ARG 21 Ca 0.38 -0.40 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1rw5 h ARG 21 Cb -0.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1rw5 h ARG 21 CO -0.11 1.01 -0.07 0.00 -1.51 0.00 0.00 179.97 179.30 1rw5 h ALA 22 N 0.66 1.37 -0.30 2.80 0.00 0.33 0.82 119.26 124.95 1rw5 h ALA 22 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1rw5 h ALA 22 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1rw5 h ALA 22 CO 0.08 0.43 -0.14 0.28 0.00 0.00 0.00 179.25 179.90 1rw5 h VAL 23 N 0.42 1.29 0.05 0.00 2.07 -0.33 -2.29 116.25 117.46 1rw5 h VAL 23 Ca 0.09 -1.23 -0.25 0.00 0.82 0.00 0.00 66.70 66.13 1rw5 h VAL 23 Cb 0.39 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1rw5 h VAL 23 CO 0.02 0.39 -1.05 0.58 0.02 0.00 0.00 177.57 177.53 1rw5 h VAL 24 N 0.37 1.41 -0.63 2.57 2.07 -1.15 -3.22 116.25 117.67 1rw5 h VAL 24 Ca 0.07 -2.59 0.04 0.00 0.82 0.00 0.00 66.70 65.03 1rw5 h VAL 24 Cb 0.66 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1rw5 h VAL 24 CO 0.04 0.77 0.41 0.25 0.02 0.00 0.00 177.57 179.07 1rw5 h LEU 25 N 0.20 0.61 -1.48 2.57 5.85 0.73 -1.34 115.31 122.44 1rw5 h LEU 25 Ca -0.11 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1rw5 h LEU 25 Cb 1.71 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1rw5 h LEU 25 CO 0.18 0.42 0.18 0.28 -0.34 0.00 0.00 178.44 179.15 1rw5 h SER 26 N 0.71 0.47 0.27 1.25 0.02 -1.42 -2.06 113.55 112.78 1rw5 h SER 26 Ca 0.26 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 61.02 1rw5 h SER 26 Cb 0.13 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1rw5 h SER 26 CO -0.07 0.41 -0.58 -0.74 -1.14 0.00 0.00 176.83 174.70 1rw5 h HIS 27 N 0.53 0.41 -0.37 3.45 -0.00 -1.36 -3.12 115.15 114.68 1rw5 h HIS 27 Ca 0.13 -0.15 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 1rw5 h HIS 27 Cb 0.07 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 1rw5 h HIS 27 CO 0.00 0.82 0.17 -0.92 -0.00 0.00 0.00 177.93 178.01 1rw5 h TYR 28 N 0.24 0.31 -0.13 5.26 3.20 -1.22 -0.12 116.97 124.51 1rw5 h TYR 28 Ca -0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1rw5 h TYR 28 Cb 1.09 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1rw5 h TYR 28 CO 0.03 0.15 0.09 0.82 -1.64 0.00 0.00 178.16 177.61 1rw5 h ILE 29 N 0.35 1.02 -0.46 1.81 2.04 -1.50 -0.79 117.51 119.99 1rw5 h ILE 29 Ca 0.16 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1rw5 h ILE 29 Cb 0.10 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1rw5 h ILE 29 CO -0.13 0.03 0.29 -0.74 0.00 0.00 0.00 178.15 177.60 1rw5 h HIS 30 N 0.16 0.58 -0.54 1.37 2.76 -0.97 0.36 115.15 118.87 1rw5 h HIS 30 Ca 0.05 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1rw5 h HIS 30 Cb 0.01 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 1rw5 h HIS 30 CO -0.00 0.38 0.17 -0.91 -1.30 0.00 0.00 177.93 176.27 1rw5 h ASN 31 N 0.61 0.79 0.70 3.26 2.35 -0.78 0.85 115.58 123.36 1rw5 h ASN 31 Ca 0.17 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1rw5 h ASN 31 Cb -0.05 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.12 1rw5 h ASN 31 CO -0.03 0.79 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.12 1rw5 h LEU 32 N 0.75 -0.80 -1.28 1.61 3.38 -0.57 0.63 115.31 119.03 1rw5 h LEU 32 Ca 0.18 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1rw5 h LEU 32 Cb 0.28 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1rw5 h LEU 32 CO -0.01 -0.56 -0.03 0.77 0.09 0.00 0.00 178.44 178.71 1rw5 h SER 33 N -0.97 0.43 0.44 -0.43 4.64 -0.23 0.33 113.55 117.76 1rw5 h SER 33 Ca -0.10 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.12 1rw5 h SER 33 Cb 0.73 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1rw5 h SER 33 CO 0.16 0.52 -0.21 -1.28 -0.87 0.00 0.00 176.83 175.14 1rw5 h SER 34 N 0.44 -0.50 -0.34 4.97 0.87 0.11 -2.43 113.55 116.66 1rw5 h SER 34 Ca 0.09 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 1rw5 h SER 34 Cb 0.33 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1rw5 h SER 34 CO 0.01 -0.08 -0.12 -0.33 -0.53 0.00 0.00 176.83 175.79 1rw5 h GLU 35 N -1.12 0.69 -0.66 2.24 5.08 0.28 -0.98 114.58 120.10 1rw5 h GLU 35 Ca -0.06 -0.28 0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1rw5 h GLU 35 Cb 0.51 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1rw5 h GLU 35 CO 0.10 0.87 0.34 1.98 -1.00 0.00 0.00 179.01 181.30 1rw5 h MET 36 N 0.47 0.60 -0.22 2.33 4.05 -0.45 0.22 114.93 121.93 1rw5 h MET 36 Ca 0.08 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.39 1rw5 h MET 36 Cb 0.64 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1rw5 h MET 36 CO 0.04 0.40 -0.18 0.35 0.23 0.00 0.00 176.91 177.75 1rw5 h PHE 37 N 0.62 0.60 -0.56 1.39 3.57 -1.33 -2.34 116.94 118.88 1rw5 h PHE 37 Ca 0.31 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1rw5 h PHE 37 Cb 0.25 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 1rw5 h PHE 37 CO -0.10 0.83 0.35 1.03 -2.23 0.00 0.00 178.31 178.19 1rw5 h SER 38 N 0.20 0.57 -0.77 0.41 0.87 -0.48 0.85 113.55 115.20 1rw5 h SER 38 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1rw5 h SER 38 Cb 0.71 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.51 1rw5 h SER 38 CO 0.05 0.40 0.49 -0.33 -0.53 0.00 0.00 176.83 176.91 1rw5 h GLU 39 N 0.69 1.03 -0.07 2.24 5.08 -0.55 -0.43 114.58 122.57 1rw5 h GLU 39 Ca 0.22 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1rw5 h GLU 39 Cb 0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1rw5 h GLU 39 CO -0.09 0.70 -0.03 0.35 -1.00 0.00 0.00 179.01 178.95 1rw5 h PHE 40 N 1.05 0.16 -0.93 4.33 3.57 -0.76 -2.60 116.94 121.75 1rw5 h PHE 40 Ca 0.28 -0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.91 1rw5 h PHE 40 Cb -0.08 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.54 1rw5 h PHE 40 CO -0.01 0.49 0.60 0.22 -2.23 0.00 0.00 178.31 177.37 1rw5 h ASP 41 N -0.22 0.64 -0.08 0.41 3.58 0.11 0.44 116.42 121.32 1rw5 h ASP 41 Ca 0.02 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1rw5 h ASP 41 Cb 0.45 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1rw5 h ASP 41 CO 0.01 0.29 0.00 0.29 -2.88 0.00 0.00 179.24 176.94 1rw5 n LYS 42 N -4.60 1.71 -0.03 0.28 4.76 -0.21 -1.81 118.16 118.26 1rw5 n LYS 42 Ca 0.20 -1.05 -0.04 0.00 -2.87 0.00 0.00 58.31 54.54 1rw5 n LYS 42 Cb 0.55 -1.45 -0.01 0.00 -1.84 0.00 0.00 35.03 32.27 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rw5 n ARG 43 N 0.27 0.25 0.05 1.97 1.74 0.11 -4.37 116.66 116.67 1rw5 n ARG 43 Ca 0.18 0.10 0.07 0.00 -0.77 0.00 0.00 57.85 57.43 1rw5 n ARG 43 Cb 0.35 -0.90 -0.07 0.00 -1.02 0.00 0.00 32.46 30.83 1rw5 n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rw5 n TYR 44 N -3.61 0.72 -1.34 -1.55 4.02 -0.96 -4.21 117.16 110.23 1rw5 n TYR 44 Ca -0.07 0.22 0.04 0.00 -0.01 0.00 0.00 57.90 58.09 1rw5 n TYR 44 Cb 0.25 -0.91 0.20 0.00 -0.02 0.00 0.00 39.34 38.86 1rw5 n TYR 44 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1rw5 n THR 45 N -2.66 2.25 -1.69 -0.72 -2.24 -1.21 -4.86 114.28 103.14 1rw5 n THR 45 Ca -0.06 -2.67 -0.17 0.00 -2.27 0.00 0.00 64.05 58.88 1rw5 n THR 45 Cb 0.68 -0.27 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1rw5 n THR 45 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1rw5 s HIS 46 N -3.10 1.34 -0.86 4.78 5.04 -0.75 -3.20 115.29 118.54 1rw5 s HIS 46 Ca 0.39 1.86 -0.02 0.00 -1.54 0.00 0.00 55.06 55.75 1rw5 s HIS 46 Cb 0.36 -3.50 0.00 0.00 0.04 0.00 0.00 32.58 29.48 1rw5 s HIS 46 CO -0.00 -1.05 0.22 0.41 -2.34 0.00 0.00 174.74 171.98 1rw5 n GLY 47 N 6.33 0.00 0.26 1.59 0.00 -1.26 -4.90 105.19 107.22 1rw5 n GLY 47 Ca 0.43 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1rw5 n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rw5 h ARG 48 N -0.50 0.00 0.00 1.61 3.08 -1.88 -3.46 114.38 113.23 1rw5 h ARG 48 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1rw5 h ARG 48 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1rw5 h ARG 48 CO 0.30 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.61 1rw5 n GLY 49 N -1.53 1.04 0.60 0.04 0.00 -1.26 -4.94 105.19 99.15 1rw5 n GLY 49 Ca -0.03 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 1rw5 n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rw5 n PHE 50 N -2.50 0.00 -4.63 1.61 -1.74 -1.26 -5.10 117.46 103.84 1rw5 n PHE 50 Ca 0.00 -0.07 -0.24 0.00 -0.56 0.00 0.00 57.45 56.58 1rw5 n PHE 50 Cb 0.18 0.12 -0.14 0.00 1.52 0.00 0.00 39.48 41.15 1rw5 n PHE 50 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1rw5 s ILE 51 N 0.00 1.38 -0.06 1.97 -4.36 -1.26 -5.10 121.20 113.77 1rw5 s ILE 51 Ca 0.02 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.50 1rw5 s ILE 51 Cb 0.03 -1.19 0.00 0.00 1.25 0.00 0.00 42.46 42.55 1rw5 s ILE 51 CO -0.01 0.22 -0.16 -0.89 0.24 0.00 0.00 174.94 174.33 1rw5 s THR 52 N -0.65 1.42 0.30 8.37 2.01 -1.26 -5.01 115.64 120.82 1rw5 s THR 52 Ca 0.06 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 1rw5 s THR 52 Cb -0.08 -1.24 0.22 0.00 0.01 0.00 0.00 72.50 71.41 1rw5 s THR 52 CO 0.01 0.41 1.92 0.50 -0.69 0.00 0.00 174.62 176.77 1rw5 h LYS 53 N 6.53 0.92 -6.26 4.92 3.64 -2.02 -3.40 116.57 120.91 1rw5 h LYS 53 Ca -0.30 -0.11 -0.56 0.00 -1.27 0.00 0.00 60.65 58.41 1rw5 h LYS 53 Cb 1.19 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1rw5 h LYS 53 CO 0.48 0.69 1.14 0.00 -2.27 0.00 0.00 179.45 179.49 1rw5 s ALA 54 N -5.57 3.39 -0.07 5.00 0.00 -1.26 -4.98 121.76 118.27 1rw5 s ALA 54 Ca -0.10 0.73 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1rw5 s ALA 54 Cb 0.17 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1rw5 s ALA 54 CO 0.79 -1.76 -0.19 0.42 0.00 0.00 0.00 175.76 175.02 1rw5 s ILE 55 N 4.91 1.61 -0.20 0.00 -1.09 -1.26 -5.00 121.20 120.16 1rw5 s ILE 55 Ca 0.75 -0.77 0.12 0.00 -2.23 0.00 0.00 60.65 58.52 1rw5 s ILE 55 Cb -0.30 -1.41 0.43 0.00 -1.58 0.00 0.00 42.46 39.60 1rw5 s ILE 55 CO 0.30 0.46 1.21 -3.20 -1.23 0.00 0.00 174.94 172.48 1rw5 n ASN 56 N 3.52 2.12 -3.74 3.58 2.85 -1.26 -4.88 115.26 117.46 1rw5 n ASN 56 Ca -0.20 -3.64 -0.28 0.00 -0.11 0.00 0.00 54.58 50.35 1rw5 n ASN 56 Cb 0.52 -0.48 -0.11 0.00 1.24 0.00 0.00 39.78 40.96 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1rw5 n SER 57 N -0.87 3.15 -4.18 1.20 2.88 -1.26 -5.04 113.62 109.49 1rw5 n SER 57 Ca 0.21 -3.26 -0.34 0.00 -1.33 0.00 0.00 58.87 54.15 1rw5 n SER 57 Cb 0.78 -0.73 -0.15 0.00 -0.75 0.00 0.00 64.21 63.37 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rw5 h HIS 59 N 7.98 1.12 0.00 0.00 3.86 -1.96 0.93 115.15 127.08 1rw5 h HIS 59 Ca -0.38 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1rw5 h HIS 59 Cb 1.12 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1rw5 h HIS 59 CO 0.55 0.54 0.00 0.25 0.86 0.00 0.00 177.93 180.13 1rw5 n THR 60 N -4.57 0.83 -0.03 2.45 -2.24 -1.26 -2.89 114.28 106.57 1rw5 n THR 60 Ca 0.15 0.20 0.15 0.00 -2.27 0.00 0.00 64.05 62.29 1rw5 n THR 60 Cb 0.22 -1.10 0.59 0.00 -2.10 0.00 0.00 70.33 67.94 1rw5 n THR 60 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1rw5 h SER 61 N 0.00 0.19 0.08 3.42 0.87 -1.22 0.26 113.55 117.17 1rw5 h SER 61 Ca 0.00 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1rw5 h SER 61 Cb 0.37 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1rw5 h SER 61 CO 0.00 0.11 -0.01 0.77 -0.53 0.00 0.00 176.83 177.17 1rw5 h SER 62 N 0.21 0.00 -4.03 6.23 4.64 -1.68 -3.43 113.55 115.50 1rw5 h SER 62 Ca 0.25 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.04 1rw5 h SER 62 Cb 0.72 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.91 1rw5 h SER 62 CO -0.05 0.01 0.55 -0.76 -0.87 0.00 0.00 176.83 175.71 1rw5 s LEU 63 N -6.78 3.93 -1.00 5.97 1.02 0.93 -4.83 118.68 117.91 1rw5 s LEU 63 Ca -0.04 2.55 -0.13 0.00 0.02 0.00 0.00 54.13 56.52 1rw5 s LEU 63 Cb 0.14 -4.26 -0.08 0.00 0.02 0.00 0.00 46.19 42.01 1rw5 s LEU 63 CO 0.48 -1.26 2.15 0.00 0.02 0.00 0.00 176.35 177.74 1rw5 n ALA 64 N -0.76 4.62 -1.74 4.21 0.00 -1.26 -4.91 120.51 120.66 1rw5 n ALA 64 Ca 0.09 -2.84 -0.31 0.00 0.00 0.00 0.00 53.44 50.38 1rw5 n ALA 64 Cb 0.46 -3.33 0.02 0.00 0.00 0.00 0.00 19.45 16.61 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rw5 s THR 65 N 3.81 4.40 -0.02 0.00 -4.23 -1.26 -4.96 115.64 113.37 1rw5 s THR 65 Ca 0.50 0.82 -0.30 0.00 -1.18 0.00 0.00 61.69 61.53 1rw5 s THR 65 Cb 0.13 -3.66 -0.07 0.00 1.34 0.00 0.00 72.50 70.24 1rw5 s THR 65 CO 0.01 -0.98 1.74 -2.16 -0.54 0.00 0.00 174.62 172.69 1rw5 s PRO 66 N -5.01 4.17 0.17 3.99 0.04 -1.26 -4.90 135.00 132.21 1rw5 s PRO 66 Ca 0.57 2.31 -0.10 0.00 0.04 0.00 0.00 61.00 63.81 1rw5 s PRO 66 Cb -0.12 -4.01 0.07 0.00 0.04 0.00 0.00 34.50 30.47 1rw5 s PRO 66 CO 0.52 -0.87 1.66 1.49 0.04 0.00 0.00 177.00 179.85 1rw5 h GLU 67 N 9.75 1.00 -4.10 4.56 4.81 -1.93 -3.46 114.58 125.21 1rw5 h GLU 67 Ca -0.42 -0.27 -0.20 0.00 -0.13 0.00 0.00 59.36 58.34 1rw5 h GLU 67 Cb 1.20 -0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.36 1rw5 h GLU 67 CO 0.95 0.94 -0.28 -0.51 -0.73 0.00 0.00 179.01 179.39 1rw5 s ASP 68 N -6.39 0.43 0.29 1.04 1.01 -1.26 -5.01 116.67 106.78 1rw5 s ASP 68 Ca -0.12 -1.28 -0.03 0.00 0.71 0.00 0.00 52.55 51.83 1rw5 s ASP 68 Cb 0.13 0.57 0.41 0.00 1.01 0.00 0.00 42.92 45.04 1rw5 s ASP 68 CO 0.83 -1.13 1.95 0.11 0.21 0.00 0.00 175.17 177.15 1rw5 h LYS 69 N 2.28 1.14 -0.70 8.23 1.57 -2.00 -1.60 116.57 125.48 1rw5 h LYS 69 Ca -0.29 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.37 1rw5 h LYS 69 Cb 1.25 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1rw5 h LYS 69 CO 0.41 0.75 0.25 0.93 -0.57 0.00 0.00 179.45 181.22 1rw5 h GLU 70 N 1.17 1.06 -0.48 3.15 5.08 -1.99 -2.18 114.58 120.39 1rw5 h GLU 70 Ca 0.33 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1rw5 h GLU 70 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1rw5 h GLU 70 CO -0.08 0.90 0.08 0.37 -1.00 0.00 0.00 179.01 179.27 1rw5 h GLN 71 N 1.01 0.75 -0.31 2.33 5.75 -1.76 -2.05 115.11 120.83 1rw5 h GLN 71 Ca 0.23 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1rw5 h GLN 71 Cb 0.25 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 1rw5 h GLN 71 CO -0.01 0.71 0.07 0.00 -2.65 0.00 0.00 178.83 176.95 1rw5 h ALA 72 N 1.36 0.33 -0.77 3.38 0.00 -0.68 0.47 119.26 123.36 1rw5 h ALA 72 Ca 0.15 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1rw5 h ALA 72 Cb 0.33 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1rw5 h ALA 72 CO 0.00 -0.34 0.51 1.96 0.00 0.00 0.00 179.25 181.39 1rw5 h GLN 73 N 0.18 0.98 -0.06 0.00 4.20 -1.15 0.12 115.11 119.39 1rw5 h GLN 73 Ca 0.14 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1rw5 h GLN 73 Cb 0.15 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1rw5 h GLN 73 CO -0.18 0.65 -0.25 1.96 -0.67 0.00 0.00 178.83 180.33 1rw5 h GLN 74 N 1.01 0.10 -7.04 1.46 4.20 -0.10 -3.43 115.11 111.30 1rw5 h GLN 74 Ca 0.29 -0.03 -0.45 0.00 0.06 0.00 0.00 58.65 58.52 1rw5 h GLN 74 Cb -0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1rw5 h GLN 74 CO -0.07 0.35 0.35 -1.64 -0.67 0.00 0.00 178.83 177.15 1rw5 s MET 75 N -4.46 4.18 0.67 1.46 -1.94 0.14 -5.03 119.30 114.32 1rw5 s MET 75 Ca -0.04 1.20 -0.14 0.00 -1.71 0.00 0.00 55.69 55.00 1rw5 s MET 75 Cb 0.15 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.76 1rw5 s MET 75 CO 0.73 -0.08 1.09 1.21 -0.01 0.00 0.00 175.02 177.96 1rw5 s ASN 76 N -2.06 5.13 0.30 3.03 2.47 -1.26 -4.92 114.94 117.63 1rw5 s ASN 76 Ca 0.62 1.91 -0.01 0.00 0.42 0.00 0.00 52.86 55.80 1rw5 s ASN 76 Cb -0.12 -2.54 0.48 0.00 -1.45 0.00 0.00 41.25 37.62 1rw5 s ASN 76 CO 0.16 -1.61 1.94 1.56 -3.72 0.00 0.00 177.10 175.43 1rw5 h GLN 77 N -0.15 1.05 -0.54 0.43 4.20 -1.93 -1.37 115.11 116.80 1rw5 h GLN 77 Ca -0.46 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 1rw5 h GLN 77 Cb 1.24 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 1rw5 h GLN 77 CO 0.54 0.70 0.30 0.87 -0.67 0.00 0.00 178.83 180.57 1rw5 h LYS 78 N 1.08 0.74 -0.89 1.46 1.57 -1.97 -1.91 116.57 116.66 1rw5 h LYS 78 Ca 0.34 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.13 1rw5 h LYS 78 Cb 0.01 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.10 1rw5 h LYS 78 CO -0.10 0.54 0.55 -0.44 -0.57 0.00 0.00 179.45 179.43 1rw5 h ASP 79 N 0.75 0.84 0.01 0.86 3.32 -1.60 0.34 116.42 120.95 1rw5 h ASP 79 Ca 0.19 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1rw5 h ASP 79 Cb 0.01 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1rw5 h ASP 79 CO -0.03 0.51 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.74 1rw5 h PHE 80 N 0.96 -0.01 -0.69 4.55 -1.00 -1.34 0.15 116.94 119.57 1rw5 h PHE 80 Ca 0.40 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.18 1rw5 h PHE 80 Cb 0.25 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 1rw5 h PHE 80 CO -0.03 0.20 0.41 -0.07 -1.61 0.00 0.00 178.31 177.21 1rw5 h LEU 81 N -0.22 0.83 -0.75 1.54 4.07 -1.11 -2.28 115.31 117.39 1rw5 h LEU 81 Ca -0.00 -0.07 -0.09 0.00 0.08 0.00 0.00 57.88 57.80 1rw5 h LEU 81 Cb 0.22 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1rw5 h LEU 81 CO 0.00 0.66 -0.02 0.28 -1.08 0.00 0.00 178.44 178.28 1rw5 h SER 82 N 0.94 0.90 -0.64 -0.43 0.02 -0.21 -3.01 113.55 111.13 1rw5 h SER 82 Ca 0.25 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1rw5 h SER 82 Cb -0.02 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1rw5 h SER 82 CO -0.05 0.97 0.26 -0.07 -1.14 0.00 0.00 176.83 176.81 1rw5 h LEU 83 N 0.85 0.88 -0.19 5.07 3.38 -0.51 -2.17 115.31 122.61 1rw5 h LEU 83 Ca 0.15 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1rw5 h LEU 83 Cb 0.53 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1rw5 h LEU 83 CO 0.03 0.80 0.03 0.40 0.09 0.00 0.00 178.44 179.79 1rw5 h ILE 84 N 0.89 0.90 -0.77 1.22 2.04 -1.29 0.30 117.51 120.80 1rw5 h ILE 84 Ca 0.21 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 1rw5 h ILE 84 Cb 0.19 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1rw5 h ILE 84 CO -0.02 0.02 0.47 0.58 0.00 0.00 0.00 178.15 179.20 1rw5 h VAL 85 N 0.10 1.22 -0.23 1.67 2.07 -1.47 -0.59 116.25 119.01 1rw5 h VAL 85 Ca 0.09 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1rw5 h VAL 85 Cb 0.09 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1rw5 h VAL 85 CO -0.13 0.22 0.12 -1.28 0.02 0.00 0.00 177.57 176.53 1rw5 h SER 86 N 1.05 0.29 0.30 0.57 0.87 -0.79 -2.30 113.55 113.55 1rw5 h SER 86 Ca 0.28 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1rw5 h SER 86 Cb -0.04 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1rw5 h SER 86 CO -0.05 0.30 -0.14 0.40 -0.53 0.00 0.00 176.83 176.80 1rw5 h ILE 87 N 0.26 0.73 -0.44 2.23 2.04 -0.63 -2.26 117.51 119.44 1rw5 h ILE 87 Ca 0.08 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1rw5 h ILE 87 Cb 0.07 0.98 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1rw5 h ILE 87 CO -0.01 0.09 0.05 -0.07 0.00 0.00 0.00 178.15 178.21 1rw5 h LEU 88 N -0.65 -0.07 -0.96 1.44 3.38 -1.10 -1.91 115.31 115.43 1rw5 h LEU 88 Ca -0.04 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1rw5 h LEU 88 Cb 0.46 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1rw5 h LEU 88 CO 0.07 -0.00 -0.34 0.03 0.09 0.00 0.00 178.44 178.29 1rw5 h ARG 89 N 0.17 0.34 -0.57 1.13 3.08 -1.46 -2.59 114.38 114.49 1rw5 h ARG 89 Ca 0.22 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.20 1rw5 h ARG 89 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1rw5 h ARG 89 CO -0.32 0.64 0.38 1.03 -1.07 0.00 0.00 179.97 180.63 1rw5 h SER 90 N 0.29 0.43 0.49 7.04 0.87 -0.72 -1.76 113.55 120.19 1rw5 h SER 90 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1rw5 h SER 90 Cb 0.74 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1rw5 h SER 90 CO 0.06 0.27 -0.83 0.79 -0.53 0.00 0.00 176.83 176.59 1rw5 n TRP 91 N -4.47 0.23 -0.31 2.24 7.02 -1.06 -4.19 117.44 116.90 1rw5 n TRP 91 Ca 0.08 0.07 0.01 0.00 -1.02 0.00 0.00 57.50 56.64 1rw5 n TRP 91 Cb 0.28 -0.39 0.20 0.00 -2.42 0.00 0.00 31.31 28.98 1rw5 n TRP 91 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 1rw5 h ASN 92 N 0.00 0.98 0.20 -0.99 2.35 -0.93 -2.34 115.58 114.85 1rw5 h ASN 92 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1rw5 h ASN 92 Cb 0.66 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1rw5 h ASN 92 CO 0.00 0.67 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.28 1rw5 h GLU 93 N 1.14 -0.26 -1.02 0.81 4.57 -1.73 -3.22 114.58 114.87 1rw5 h GLU 93 Ca 0.36 0.02 0.29 0.00 -1.18 0.00 0.00 59.36 58.85 1rw5 h GLU 93 Cb 0.01 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 28.53 1rw5 h GLU 93 CO -0.11 -0.02 0.60 -1.35 -1.18 0.00 0.00 179.01 176.95 1rw5 h PRO 94 N -1.02 0.41 -0.25 0.92 0.11 -1.73 0.41 132.00 130.85 1rw5 h PRO 94 Ca -0.03 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1rw5 h PRO 94 Cb 0.37 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1rw5 h PRO 94 CO 0.05 0.27 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.86 1rw5 h LEU 95 N 0.42 0.43 -0.45 2.35 3.38 -1.52 -2.43 115.31 117.49 1rw5 h LEU 95 Ca 0.69 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.61 1rw5 h LEU 95 Cb 1.52 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1rw5 h LEU 95 CO -0.53 0.63 0.10 0.22 0.09 0.00 0.00 178.44 178.96 1rw5 h TYR 96 N 0.40 0.17 -0.50 1.13 5.03 -0.18 -1.07 116.97 121.96 1rw5 h TYR 96 Ca 0.07 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.28 1rw5 h TYR 96 Cb 0.55 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.80 1rw5 h TYR 96 CO 0.02 0.02 -0.20 0.45 -1.32 0.00 0.00 178.16 177.13 1rw5 h HIS 97 N 0.24 1.15 -0.48 -3.82 3.86 -1.46 -2.68 115.15 111.96 1rw5 h HIS 97 Ca 0.22 -0.27 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1rw5 h HIS 97 Cb 0.27 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.41 1rw5 h HIS 97 CO -0.20 1.10 0.11 -0.07 0.86 0.00 0.00 177.93 179.72 1rw5 h LEU 98 N 0.87 0.02 -1.03 2.43 4.07 -0.79 -0.01 115.31 120.88 1rw5 h LEU 98 Ca 0.12 0.08 -0.09 0.00 0.08 0.00 0.00 57.88 58.06 1rw5 h LEU 98 Cb 0.78 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 1rw5 h LEU 98 CO 0.06 0.04 -0.32 1.62 -1.08 0.00 0.00 178.44 178.76 1rw5 h VAL 99 N 0.24 1.28 -0.29 1.22 3.04 -1.16 -2.21 116.25 118.37 1rw5 h VAL 99 Ca 0.24 -1.33 -0.11 0.00 -1.01 0.00 0.00 66.70 64.49 1rw5 h VAL 99 Cb 0.31 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1rw5 h VAL 99 CO -0.30 0.40 -0.26 0.71 -1.01 0.00 0.00 177.57 177.11 1rw5 h THR 100 N 0.25 1.30 -0.43 3.17 1.35 -0.87 -1.83 112.91 115.85 1rw5 h THR 100 Ca 0.03 -1.42 -0.08 0.00 -0.55 0.00 0.00 66.41 64.40 1rw5 h THR 100 Cb 0.70 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1rw5 h THR 100 CO 0.05 0.45 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.42 1rw5 h GLU 101 N 0.43 0.79 -0.35 4.72 4.39 -0.93 -2.86 114.58 120.77 1rw5 h GLU 101 Ca 0.05 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.41 1rw5 h GLU 101 Cb 0.82 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1rw5 h GLU 101 CO 0.07 0.87 -0.09 -0.39 -1.16 0.00 0.00 179.01 178.31 1rw5 h VAL 102 N 0.62 1.23 -0.91 3.13 -1.51 -1.40 -1.42 116.25 116.00 1rw5 h VAL 102 Ca 0.12 -1.01 0.06 0.00 -1.23 0.00 0.00 66.70 64.63 1rw5 h VAL 102 Cb 0.53 1.07 -0.06 0.00 -2.13 0.00 0.00 31.29 30.70 1rw5 h VAL 102 CO 0.03 0.34 0.60 -0.09 -1.23 0.00 0.00 177.57 177.21 1rw5 h ARG 103 N 0.54 1.04 -0.25 5.19 2.43 -1.11 -0.94 114.38 121.28 1rw5 h ARG 103 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1rw5 h ARG 103 Cb 0.48 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1rw5 h ARG 103 CO 0.03 0.69 0.00 0.41 -1.51 0.00 0.00 179.97 179.59 1rw5 n GLY 104 N -1.39 0.94 3.52 2.80 0.00 -0.94 -4.83 105.19 105.28 1rw5 n GLY 104 Ca 0.13 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 1rw5 n GLY 104 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rw5 s MET 105 N -1.68 3.33 0.22 1.61 1.75 -0.36 -4.90 119.30 119.27 1rw5 s MET 105 Ca 0.35 -0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 54.41 1rw5 s MET 105 Cb 0.20 -3.99 0.19 0.00 2.84 0.00 0.00 34.83 34.06 1rw5 s MET 105 CO 0.29 -1.22 1.88 0.37 -0.65 0.00 0.00 175.02 175.69 1rw5 h GLN 106 N 9.06 1.12 -0.13 4.11 4.15 -1.88 0.11 115.11 131.66 1rw5 h GLN 106 Ca -0.26 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.01 1rw5 h GLN 106 Cb 1.08 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 1rw5 h GLN 106 CO 0.99 0.77 -0.23 0.93 -1.93 0.00 0.00 178.83 179.35 1rw5 h GLU 107 N 1.14 0.23 -2.16 1.69 4.39 -1.95 -3.32 114.58 114.60 1rw5 h GLU 107 Ca 0.30 -0.07 -0.58 0.00 0.34 0.00 0.00 59.36 59.35 1rw5 h GLU 107 Cb -0.08 -0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 28.15 1rw5 h GLU 107 CO -0.06 0.46 -0.92 0.00 -1.16 0.00 0.00 179.01 177.33 1rw5 n ALA 108 N -2.48 2.99 -0.34 3.43 0.00 -0.59 -4.95 120.51 118.56 1rw5 n ALA 108 Ca -0.01 -3.81 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1rw5 n ALA 108 Cb 0.35 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1rw5 n ALA 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rw5 n PRO 109 N 1.46 0.00 -0.24 0.00 -0.04 0.29 -4.34 135.00 132.13 1rw5 n PRO 109 Ca 0.24 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1rw5 n PRO 109 Cb 0.48 -0.65 0.26 0.00 -0.04 0.00 0.00 33.50 33.55 1rw5 n PRO 109 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rw5 n GLU 110 N -1.74 2.50 0.00 0.54 -0.58 -1.26 -3.80 120.64 116.30 1rw5 n GLU 110 Ca 0.00 -2.29 0.00 0.00 -0.42 0.00 0.00 57.16 54.45 1rw5 n GLU 110 Cb 0.00 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rw5 n ALA 111 N 1.44 0.00 0.17 0.62 0.00 -1.26 -3.74 120.51 117.75 1rw5 n ALA 111 Ca 0.21 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.59 1rw5 n ALA 111 Cb 0.58 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.33 1rw5 n ALA 111 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1rw5 h ILE 112 N 0.00 1.10 -0.36 0.00 2.04 -1.81 -3.02 117.51 115.46 1rw5 h ILE 112 Ca 0.00 -1.66 -0.04 0.00 1.00 0.00 0.00 64.86 64.16 1rw5 h ILE 112 Cb 0.00 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1rw5 h ILE 112 CO 0.00 0.44 0.05 0.25 0.00 0.00 0.00 178.15 178.89 1rw5 h LEU 113 N 0.00 0.49 -0.82 1.44 6.46 -1.77 -1.74 115.31 119.36 1rw5 h LEU 113 Ca -0.00 -0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1rw5 h LEU 113 Cb 0.92 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.65 1rw5 h LEU 113 CO 0.06 0.53 0.48 0.28 -0.62 0.00 0.00 178.44 179.16 1rw5 h SER 114 N 0.52 0.69 0.46 1.25 0.02 -1.61 0.11 113.55 114.99 1rw5 h SER 114 Ca 0.12 0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 60.85 1rw5 h SER 114 Cb 0.26 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.71 1rw5 h SER 114 CO 0.00 0.40 -1.16 0.11 -1.14 0.00 0.00 176.83 175.05 1rw5 h LYS 115 N 0.81 0.37 -0.66 3.45 1.79 -1.63 -3.17 116.57 117.53 1rw5 h LYS 115 Ca 0.39 -0.52 -0.05 0.00 -2.18 0.00 0.00 60.65 58.28 1rw5 h LYS 115 Cb 0.33 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 1rw5 h LYS 115 CO -0.23 1.21 0.21 0.00 -1.08 0.00 0.00 179.45 179.55 1rw5 h ALA 116 N 0.58 0.86 -0.28 3.86 0.00 -0.43 0.70 119.26 124.55 1rw5 h ALA 116 Ca -0.13 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1rw5 h ALA 116 Cb 1.85 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1rw5 h ALA 116 CO 0.20 0.53 -0.33 -0.24 0.00 0.00 0.00 179.25 179.41 1rw5 h VAL 117 N 0.95 1.29 0.00 0.00 3.04 -0.91 -2.81 116.25 117.81 1rw5 h VAL 117 Ca 0.21 -1.46 -0.12 0.00 -1.01 0.00 0.00 66.70 64.32 1rw5 h VAL 117 Cb 0.29 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.99 1rw5 h VAL 117 CO -0.01 0.47 -1.02 1.05 -1.01 0.00 0.00 177.57 177.05 1rw5 h GLU 118 N 0.51 0.00 -0.10 4.17 4.11 -1.47 -3.25 114.58 118.55 1rw5 h GLU 118 Ca 0.06 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.28 1rw5 h GLU 118 Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1rw5 h GLU 118 CO 0.07 0.32 -0.73 0.97 0.07 0.00 0.00 179.01 179.72 1rw5 h ILE 119 N 0.00 1.31 -0.13 -1.06 2.10 0.46 -1.25 117.51 118.95 1rw5 h ILE 119 Ca -0.09 -1.98 -0.09 0.00 1.08 0.00 0.00 64.86 63.78 1rw5 h ILE 119 Cb 1.44 2.15 -0.01 0.00 -1.09 0.00 0.00 36.82 39.31 1rw5 h ILE 119 CO 0.05 0.61 -0.33 -0.08 -1.08 0.00 0.00 178.15 177.32 1rw5 h GLU 120 N 0.35 0.26 0.09 2.19 4.81 -1.64 -2.19 114.58 118.44 1rw5 h GLU 120 Ca -0.06 -0.10 -0.24 0.00 -0.13 0.00 0.00 59.36 58.83 1rw5 h GLU 120 Cb 1.37 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.76 1rw5 h GLU 120 CO 0.15 0.56 -1.00 0.93 -0.73 0.00 0.00 179.01 178.92 1rw5 h GLU 121 N 0.22 0.52 -0.50 1.92 5.08 -1.58 -3.24 114.58 117.00 1rw5 h GLU 121 Ca 0.03 -0.68 -0.10 0.00 -1.00 0.00 0.00 59.36 57.62 1rw5 h GLU 121 Cb 0.69 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1rw5 h GLU 121 CO 0.05 1.29 -0.07 0.37 -1.00 0.00 0.00 179.01 179.64 1rw5 h GLN 122 N 0.07 0.90 -0.53 2.33 5.75 -1.17 -2.76 115.11 119.70 1rw5 h GLN 122 Ca -0.15 -0.30 0.02 0.00 -0.15 0.00 0.00 58.65 58.07 1rw5 h GLN 122 Cb 1.71 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 30.15 1rw5 h GLN 122 CO 0.19 0.94 0.35 1.79 -2.65 0.00 0.00 178.83 179.46 1rw5 h THR 123 N 0.82 1.09 -0.00 2.39 1.35 -1.48 -1.14 112.91 115.93 1rw5 h THR 123 Ca 0.14 -0.22 -0.14 0.00 -0.55 0.00 0.00 66.41 65.64 1rw5 h THR 123 Cb 0.59 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1rw5 h THR 123 CO 0.04 0.12 -0.66 0.11 -0.25 0.00 0.00 175.52 174.88 1rw5 h LYS 124 N 0.65 0.02 -0.40 4.72 1.57 -1.52 -3.12 116.57 118.49 1rw5 h LYS 124 Ca 0.21 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1rw5 h LYS 124 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1rw5 h LYS 124 CO -0.05 0.67 0.23 0.00 -0.57 0.00 0.00 179.45 179.73 1rw5 h ARG 125 N 0.01 0.55 -0.82 3.15 2.47 -1.03 -1.24 114.38 117.48 1rw5 h ARG 125 Ca -0.01 -0.06 0.09 0.00 -1.26 0.00 0.00 59.98 58.75 1rw5 h ARG 125 Cb 1.17 -0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 29.32 1rw5 h ARG 125 CO 0.09 0.43 0.53 -0.07 0.56 0.00 0.00 179.97 181.51 1rw5 h LEU 126 N 0.52 0.71 -0.16 3.04 3.38 -1.45 -1.37 115.31 119.97 1rw5 h LEU 126 Ca 0.14 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1rw5 h LEU 126 Cb 0.03 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 1rw5 h LEU 126 CO -0.02 0.43 -0.13 0.25 0.09 0.00 0.00 178.44 179.05 1rw5 h LEU 127 N 0.79 -0.43 -0.46 1.67 7.12 -1.19 0.82 115.31 123.62 1rw5 h LEU 127 Ca 0.37 0.09 -0.07 0.00 0.13 0.00 0.00 57.88 58.40 1rw5 h LEU 127 Cb 0.40 0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 1rw5 h LEU 127 CO -0.14 -0.18 0.03 -0.08 -0.13 0.00 0.00 178.44 177.94 1rw5 h GLU 128 N -0.15 0.80 -0.94 1.25 4.81 -1.09 0.24 114.58 119.49 1rw5 h GLU 128 Ca 0.10 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1rw5 h GLU 128 Cb 0.30 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1rw5 h GLU 128 CO -0.25 0.84 0.58 0.78 -0.73 0.00 0.00 179.01 180.23 1rw5 h GLY 129 N 0.65 1.35 1.14 1.92 0.00 -0.65 -2.72 103.07 104.75 1rw5 h GLY 129 Ca 0.13 -0.54 -0.22 0.00 0.00 0.00 0.00 47.33 46.70 1rw5 h GLY 129 CO 0.02 0.53 -0.76 -0.33 0.00 0.00 0.00 176.54 176.00 1rw5 h MET 130 N 1.29 0.76 -0.04 4.80 2.86 0.10 -2.96 114.93 121.74 1rw5 h MET 130 Ca 0.34 -0.63 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1rw5 h MET 130 Cb -0.08 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1rw5 h MET 130 CO -0.07 1.24 0.03 0.93 1.06 0.00 0.00 176.91 180.10 1rw5 h GLU 131 N 0.48 0.00 0.00 1.72 5.08 -0.23 0.72 114.58 122.35 1rw5 h GLU 131 Ca -0.06 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 1rw5 h GLU 131 Cb 1.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1rw5 h GLU 131 CO 0.16 0.00 -1.07 1.37 -1.00 0.00 0.00 179.01 178.46 1rw5 h LEU 132 N 0.00 0.00 0.33 1.33 8.10 -1.51 -2.38 115.31 121.17 1rw5 h LEU 132 Ca 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.99 1rw5 h LEU 132 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1rw5 h LEU 132 CO -0.00 0.84 -0.16 0.40 -4.11 0.00 0.00 178.44 175.41 1rw5 h ILE 133 N 0.00 0.49 -0.84 0.15 2.04 -0.89 -2.15 117.51 116.32 1rw5 h ILE 133 Ca -0.08 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.07 1rw5 h ILE 133 Cb 1.71 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1rw5 h ILE 133 CO 0.10 0.11 0.55 1.62 0.00 0.00 0.00 178.15 180.53 1rw5 h VAL 134 N -0.95 1.15 0.00 1.67 3.04 -1.07 0.39 116.25 120.48 1rw5 h VAL 134 Ca -0.05 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1rw5 h VAL 134 Cb 0.52 -0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 1rw5 h VAL 134 CO 0.07 0.19 0.00 -1.28 -1.01 0.00 0.00 177.57 175.55 1rw5 h SER 135 N 1.06 0.00 0.00 3.17 0.87 -1.39 -1.78 113.55 115.48 1rw5 h SER 135 Ca 0.33 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.68 1rw5 h SER 135 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1rw5 h SER 135 CO -0.10 0.00 -1.82 0.00 -0.53 0.00 0.00 176.83 174.39 1rw5 n GLN 136 N -2.35 0.99 -0.22 2.24 1.13 -0.07 -3.99 117.38 115.11 1rw5 n GLN 136 Ca 0.01 0.05 -0.09 0.00 -1.94 0.00 0.00 57.00 55.03 1rw5 n GLN 136 Cb 0.18 -1.29 0.03 0.00 0.11 0.00 0.00 30.24 29.27 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1rw5 h VAL 137 N 0.00 1.27 -2.08 5.09 2.07 -0.28 -3.40 116.25 118.91 1rw5 h VAL 137 Ca -0.32 -1.12 -0.37 0.00 0.82 0.00 0.00 66.70 65.72 1rw5 h VAL 137 Cb 1.58 0.75 -0.33 0.00 -1.52 0.00 0.00 31.29 31.77 1rw5 h VAL 137 CO -0.03 0.41 -0.68 -1.00 0.02 0.00 0.00 177.57 176.30 1rw5 s HIS 138 N -5.08 -0.30 0.57 1.57 3.76 -0.68 -4.99 115.29 110.14 1rw5 s HIS 138 Ca -0.12 -0.59 0.33 0.00 -0.15 0.00 0.00 55.06 54.52 1rw5 s HIS 138 Cb 0.14 -0.47 1.43 0.00 1.11 0.00 0.00 32.58 34.79 1rw5 s HIS 138 CO 0.85 -0.94 1.75 -1.35 -0.85 0.00 0.00 174.74 174.20 1rw5 h PRO 139 N 7.59 0.00 -5.41 8.40 0.11 -1.73 -3.37 132.00 137.59 1rw5 h PRO 139 Ca -0.03 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.41 1rw5 h PRO 139 Cb 1.06 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.89 1rw5 h PRO 139 CO 0.27 0.00 -0.79 -1.21 -0.21 0.00 0.00 178.00 176.06 1rw5 s GLU 140 N -4.74 3.24 0.10 1.05 2.02 -1.26 -4.98 118.70 114.13 1rw5 s GLU 140 Ca -0.04 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.28 1rw5 s GLU 140 Cb 0.19 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 1rw5 s GLU 140 CO 0.66 0.24 -0.15 0.99 0.02 0.00 0.00 175.26 177.02 1rw5 s THR 141 N 0.25 1.33 0.32 3.63 2.01 -1.26 -5.02 115.64 116.91 1rw5 s THR 141 Ca -0.11 -1.54 0.04 0.00 0.31 0.00 0.00 61.69 60.39 1rw5 s THR 141 Cb -0.16 -1.38 0.30 0.00 0.01 0.00 0.00 72.50 71.27 1rw5 s THR 141 CO 0.06 -0.28 1.89 0.11 -0.69 0.00 0.00 174.62 175.71 1rw5 h LYS 142 N 3.88 0.85 -5.09 4.92 1.57 -1.97 -3.41 116.57 117.32 1rw5 h LYS 142 Ca -0.41 -0.05 -0.37 0.00 -1.87 0.00 0.00 60.65 57.95 1rw5 h LYS 142 Cb 1.19 -0.19 -0.21 0.00 0.08 0.00 0.00 32.23 33.10 1rw5 h LYS 142 CO 0.45 0.56 -0.77 -1.83 -0.57 0.00 0.00 179.45 177.30 1rw5 s GLU 143 N -5.80 0.73 -0.01 3.15 -1.05 -1.26 -5.09 118.70 109.36 1rw5 s GLU 143 Ca -0.11 -0.89 -0.00 0.00 -0.15 0.00 0.00 54.97 53.83 1rw5 s GLU 143 Cb 0.21 -0.66 -0.00 0.00 -0.44 0.00 0.00 34.13 33.24 1rw5 s GLU 143 CO 0.79 0.14 -0.00 -0.91 0.95 0.00 0.00 175.26 176.23 1rw5 h ASN 144 N 4.37 0.00 -1.42 0.83 -0.26 -2.01 -3.45 115.58 113.65 1rw5 h ASN 144 Ca -0.39 0.00 -0.42 0.00 -0.56 0.00 0.00 56.30 54.93 1rw5 h ASN 144 Cb 1.19 0.00 -0.32 0.00 -1.06 0.00 0.00 38.32 38.13 1rw5 h ASN 144 CO 0.40 0.05 -0.97 -1.84 -1.06 0.00 0.00 177.43 174.01 1rw5 n GLU 145 N -2.27 0.92 -3.57 0.81 0.28 -1.26 -5.04 120.64 110.51 1rw5 n GLU 145 Ca -0.00 -2.92 -0.37 0.00 -0.16 0.00 0.00 57.16 53.72 1rw5 n GLU 145 Cb 0.00 -1.46 -0.07 0.00 1.43 0.00 0.00 31.44 31.35 1rw5 n GLU 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rw5 s ILE 146 N -1.40 5.28 0.12 3.84 -1.09 -1.26 -4.99 121.20 121.70 1rw5 s ILE 146 Ca 0.35 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1rw5 s ILE 146 Cb 0.30 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1rw5 s ILE 146 CO -0.09 0.45 -0.01 -0.72 -1.23 0.00 0.00 174.94 173.35 1rw5 s TYR 147 N 0.00 0.90 1.29 3.97 -0.85 -1.26 -4.23 117.35 117.18 1rw5 s TYR 147 Ca 0.18 -1.06 -0.22 0.00 -0.52 0.00 0.00 57.07 55.45 1rw5 s TYR 147 Cb -0.14 -0.53 0.32 0.00 0.38 0.00 0.00 41.96 42.00 1rw5 s TYR 147 CO 0.06 -0.32 1.07 -1.25 -1.52 0.00 0.00 175.55 173.59 1rw5 s PRO 148 N -3.93 -1.95 0.04 -3.49 0.04 -1.26 -5.01 135.00 119.43 1rw5 s PRO 148 Ca 0.18 -0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.07 1rw5 s PRO 148 Cb 0.07 -1.52 0.01 0.00 0.04 0.00 0.00 34.50 33.09 1rw5 s PRO 148 CO -0.01 -4.18 0.05 1.33 0.04 0.00 0.00 177.00 174.23 1rw5 n VAL 149 N -5.07 0.00 -3.51 -0.36 0.24 -1.26 -4.78 118.33 103.58 1rw5 n VAL 149 Ca 0.15 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.34 62.03 1rw5 n VAL 149 Cb 0.60 -0.82 -0.14 0.00 -1.47 0.00 0.00 33.84 32.02 1rw5 n VAL 149 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1rw5 s TRP 150 N 0.47 0.38 -0.21 6.34 -0.00 -1.26 -4.87 118.94 119.79 1rw5 s TRP 150 Ca 0.03 -1.04 0.15 0.00 -0.00 0.00 0.00 56.10 55.25 1rw5 s TRP 150 Cb -0.00 -0.87 0.67 0.00 -0.00 0.00 0.00 33.47 33.27 1rw5 s TRP 150 CO 0.02 -0.84 1.59 0.43 -0.00 0.00 0.00 176.95 178.16 1rw5 n SER 151 N 4.92 4.78 -3.43 5.86 7.64 -1.26 -5.00 113.62 127.13 1rw5 n SER 151 Ca -0.01 -3.00 -0.21 0.00 1.01 0.00 0.00 58.87 56.66 1rw5 n SER 151 Cb 0.41 -0.62 0.14 0.00 -1.01 0.00 0.00 64.21 63.13 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rw5 n GLY 152 N 0.02 -1.21 3.42 0.23 0.00 -1.26 -4.54 105.19 101.84 1rw5 n GLY 152 Ca 0.25 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 1rw5 n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rw5 n LEU 153 N 0.00 -4.48 -4.60 0.99 4.77 -1.26 -4.77 117.00 107.65 1rw5 n LEU 153 Ca 0.12 -0.67 -0.51 0.00 -0.03 0.00 0.00 56.01 54.92 1rw5 n LEU 153 Cb 0.42 -2.73 -0.06 0.00 -2.33 0.00 0.00 43.42 38.72 1rw5 n LEU 153 CO 0.31 -0.09 1.58 -2.65 -1.33 0.00 0.00 177.39 175.21 1rw5 n PRO 154 N -3.06 1.52 -2.82 3.23 -0.02 -1.26 -3.51 135.00 129.08 1rw5 n PRO 154 Ca -0.09 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 61.89 1rw5 n PRO 154 Cb 0.58 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1rw5 n PRO 154 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1rw5 n SER 155 N 7.75 -6.64 0.15 2.55 2.88 -1.26 -4.74 113.62 114.31 1rw5 n SER 155 Ca 0.31 1.19 0.18 0.00 -1.33 0.00 0.00 58.87 59.22 1rw5 n SER 155 Cb 0.24 -4.36 0.79 0.00 -0.75 0.00 0.00 64.21 60.13 1rw5 n SER 155 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1rw5 h LEU 156 N 3.43 0.00 -5.41 2.46 -0.00 -1.93 -3.15 115.31 110.71 1rw5 h LEU 156 Ca -0.08 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.27 1rw5 h LEU 156 Cb 0.40 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.08 1rw5 h LEU 156 CO 0.06 0.00 3.09 0.00 -0.00 0.00 0.00 178.44 181.59 1rw5 n GLN 157 N -3.79 2.69 -4.63 1.13 6.02 -1.26 -4.86 117.38 112.68 1rw5 n GLN 157 Ca 0.04 -1.85 -0.33 0.00 -0.01 0.00 0.00 57.00 54.85 1rw5 n GLN 157 Cb 0.45 -2.68 -0.13 0.00 1.02 0.00 0.00 30.24 28.90 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rw5 s MET 158 N 3.07 3.30 -0.14 -1.09 -1.94 -1.19 -4.99 119.30 116.32 1rw5 s MET 158 Ca 0.53 -0.60 0.17 0.00 -1.71 0.00 0.00 55.69 54.08 1rw5 s MET 158 Cb 0.14 -2.70 0.37 0.00 2.01 0.00 0.00 34.83 34.65 1rw5 s MET 158 CO -0.03 0.34 1.25 0.00 -0.01 0.00 0.00 175.02 176.57 1rw5 n ALA 159 N 3.18 2.53 -2.66 3.03 0.00 -1.26 -4.92 120.51 120.41 1rw5 n ALA 159 Ca -0.18 -2.41 -0.42 0.00 0.00 0.00 0.00 53.44 50.43 1rw5 n ALA 159 Cb 0.53 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 1rw5 n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rw5 s ASP 160 N -2.40 7.38 0.34 0.00 1.01 -1.26 -4.93 116.67 116.80 1rw5 s ASP 160 Ca 0.35 1.67 0.08 0.00 0.71 0.00 0.00 52.55 55.35 1rw5 s ASP 160 Cb 0.29 -2.57 0.60 0.00 1.01 0.00 0.00 42.92 42.25 1rw5 s ASP 160 CO 0.05 -0.24 1.80 -0.08 0.21 0.00 0.00 175.17 176.92 1rw5 h GLU 161 N 6.67 0.25 0.00 8.23 4.81 -1.99 -2.01 114.58 130.53 1rw5 h GLU 161 Ca -0.41 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 58.58 1rw5 h GLU 161 Cb 1.22 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1rw5 h GLU 161 CO 0.75 0.51 -1.11 0.39 -0.73 0.00 0.00 179.01 178.82 1rw5 n GLU 162 N -4.14 0.52 -0.36 1.92 1.02 -1.26 -4.06 120.64 114.28 1rw5 n GLU 162 Ca -0.01 0.48 -0.03 0.00 -0.02 0.00 0.00 57.16 57.59 1rw5 n GLU 162 Cb 0.38 -1.66 0.10 0.00 -0.02 0.00 0.00 31.44 30.24 1rw5 n GLU 162 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1rw5 h SER 163 N -1.00 1.13 -0.89 1.62 0.02 -1.98 -2.03 113.55 110.42 1rw5 h SER 163 Ca -0.22 -0.05 0.10 0.00 -0.84 0.00 0.00 61.79 60.78 1rw5 h SER 163 Cb 1.01 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 1rw5 h SER 163 CO -0.14 0.84 0.57 -0.09 -1.14 0.00 0.00 176.83 176.88 1rw5 h ARG 164 N 1.31 0.84 -0.87 3.45 9.65 -1.57 0.88 114.38 128.07 1rw5 h ARG 164 Ca 0.35 -0.05 0.09 0.00 -1.10 0.00 0.00 59.98 59.27 1rw5 h ARG 164 Cb -0.11 -0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 28.22 1rw5 h ARG 164 CO -0.07 0.56 0.57 -0.07 2.80 0.00 0.00 179.97 183.75 1rw5 h LEU 165 N 0.87 0.80 -1.31 3.80 3.38 -1.51 0.46 115.31 121.80 1rw5 h LEU 165 Ca 0.41 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.48 1rw5 h LEU 165 Cb 0.43 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1rw5 h LEU 165 CO -0.18 0.48 0.52 0.28 0.09 0.00 0.00 178.44 179.63 1rw5 h SER 166 N 0.89 0.72 0.14 -0.43 0.02 -0.82 0.89 113.55 114.96 1rw5 h SER 166 Ca 0.40 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1rw5 h SER 166 Cb 0.37 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1rw5 h SER 166 CO -0.16 0.46 -0.36 0.00 -1.14 0.00 0.00 176.83 175.62 1rw5 h ALA 167 N 1.58 -0.64 0.00 3.77 0.00 0.05 -1.28 119.26 122.73 1rw5 h ALA 167 Ca 0.35 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1rw5 h ALA 167 Cb 0.30 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1rw5 h ALA 167 CO -0.13 -0.92 -1.22 1.88 0.00 0.00 0.00 179.25 178.86 1rw5 h TYR 168 N -0.61 0.00 -0.48 0.00 0.05 -1.36 -3.22 116.97 111.35 1rw5 h TYR 168 Ca 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1rw5 h TYR 168 Cb 0.63 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 1rw5 h TYR 168 CO -0.32 0.45 0.12 -0.92 -1.05 0.00 0.00 178.16 176.44 1rw5 h TYR 169 N 0.00 0.80 -0.20 4.88 3.20 0.88 0.33 116.97 126.86 1rw5 h TYR 169 Ca -0.11 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.61 1rw5 h TYR 169 Cb 1.44 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1rw5 h TYR 169 CO 0.00 0.73 -0.09 -0.97 -1.64 0.00 0.00 178.16 176.19 1rw5 h ASN 170 N 0.65 0.43 0.10 -2.11 -1.24 -1.36 -2.65 115.58 109.39 1rw5 h ASN 170 Ca 0.15 -0.40 -0.00 0.00 0.71 0.00 0.00 56.30 56.75 1rw5 h ASN 170 Cb 0.33 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1rw5 h ASN 170 CO 0.00 0.73 -0.05 -0.07 -1.29 0.00 0.00 177.43 176.75 1rw5 h LEU 171 N 0.12 -0.11 -0.96 0.34 3.38 -1.55 -2.60 115.31 113.93 1rw5 h LEU 171 Ca 0.05 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.71 1rw5 h LEU 171 Cb 0.56 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1rw5 h LEU 171 CO 0.03 0.52 0.58 -0.07 0.09 0.00 0.00 178.44 179.58 1rw5 h LEU 172 N -0.88 0.80 -0.02 1.67 3.38 -0.45 0.87 115.31 120.68 1rw5 h LEU 172 Ca -0.01 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1rw5 h LEU 172 Cb 0.56 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1rw5 h LEU 172 CO 0.02 0.38 -0.01 -0.74 0.09 0.00 0.00 178.44 178.19 1rw5 h HIS 173 N 0.85 0.05 -0.30 1.13 2.76 -1.56 -2.10 115.15 115.99 1rw5 h HIS 173 Ca 0.50 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.61 1rw5 h HIS 173 Cb 0.61 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 1rw5 h HIS 173 CO -0.02 0.42 -0.06 0.00 -1.30 0.00 0.00 177.93 176.97 1rw5 h LEU 175 N 0.46 1.01 0.57 0.00 6.46 0.89 0.15 115.31 124.85 1rw5 h LEU 175 Ca 0.09 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.79 1rw5 h LEU 175 Cb 0.40 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1rw5 h LEU 175 CO 0.02 0.74 -0.27 -0.09 -0.62 0.00 0.00 178.44 178.22 1rw5 h ARG 176 N 1.19 -0.74 -0.77 1.25 2.43 -0.69 0.15 114.38 117.20 1rw5 h ARG 176 Ca 0.32 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.64 1rw5 h ARG 176 Cb -0.12 0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 1rw5 h ARG 176 CO -0.07 -0.49 0.41 -0.09 -1.51 0.00 0.00 179.97 178.22 1rw5 h ARG 177 N -0.94 0.65 -0.50 0.20 2.43 -1.42 -0.62 114.38 114.17 1rw5 h ARG 177 Ca -0.08 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1rw5 h ARG 177 Cb 0.59 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1rw5 h ARG 177 CO 0.13 0.43 0.01 -0.44 -1.51 0.00 0.00 179.97 178.59 1rw5 h ASP 178 N 0.67 0.80 0.01 -3.80 3.32 -0.69 -0.74 116.42 115.99 1rw5 h ASP 178 Ca 0.38 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1rw5 h ASP 178 Cb 0.40 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1rw5 h ASP 178 CO -0.27 0.85 -0.12 -1.28 -1.72 0.00 0.00 179.24 176.70 1rw5 h SER 179 N 0.78 0.24 0.07 6.45 0.87 0.78 -0.57 113.55 122.16 1rw5 h SER 179 Ca 0.15 -0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.43 1rw5 h SER 179 Cb 0.45 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1rw5 h SER 179 CO 0.02 0.39 -0.91 -0.74 -0.53 0.00 0.00 176.83 175.06 1rw5 h HIS 180 N 0.24 0.89 -0.12 2.24 -0.00 -0.56 -1.77 115.15 116.07 1rw5 h HIS 180 Ca 0.05 -0.45 -0.00 0.00 -0.00 0.00 0.00 60.37 59.97 1rw5 h HIS 180 Cb 0.37 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1rw5 h HIS 180 CO 0.01 1.27 0.06 0.87 -0.00 0.00 0.00 177.93 180.14 1rw5 h LYS 181 N 0.39 0.18 -0.91 5.26 1.57 -0.46 0.92 116.57 123.52 1rw5 h LYS 181 Ca -0.08 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1rw5 h LYS 181 Cb 1.54 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.77 1rw5 h LYS 181 CO 0.17 0.23 0.56 0.82 -0.57 0.00 0.00 179.45 180.65 1rw5 h ILE 182 N 0.09 1.25 -0.46 1.86 2.04 -1.15 -1.75 117.51 119.38 1rw5 h ILE 182 Ca 0.04 -0.53 -0.13 0.00 1.00 0.00 0.00 64.86 65.25 1rw5 h ILE 182 Cb 0.10 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1rw5 h ILE 182 CO -0.01 0.26 -0.21 -0.78 0.00 0.00 0.00 178.15 177.41 1rw5 h ASP 183 N 1.25 0.96 -0.89 1.72 3.58 -0.77 -3.09 116.42 119.19 1rw5 h ASP 183 Ca 0.33 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1rw5 h ASP 183 Cb -0.07 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.68 1rw5 h ASP 183 CO -0.06 1.14 0.56 -1.13 -2.88 0.00 0.00 179.24 176.86 1rw5 h ASN 184 N 0.82 1.04 -0.56 2.28 -0.73 0.17 -2.79 115.58 115.80 1rw5 h ASN 184 Ca 0.11 -0.05 -0.06 0.00 1.87 0.00 0.00 56.30 58.17 1rw5 h ASN 184 Cb 0.78 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 1rw5 h ASN 184 CO 0.06 0.78 0.11 1.88 -0.37 0.00 0.00 177.43 179.89 1rw5 h TYR 185 N 1.21 0.97 -0.74 0.67 0.05 -1.28 -2.56 116.97 115.29 1rw5 h TYR 185 Ca 0.32 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 59.01 1rw5 h TYR 185 Cb -0.09 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 37.34 1rw5 h TYR 185 CO -0.00 0.85 0.49 -0.07 -1.05 0.00 0.00 178.16 178.37 1rw5 h LEU 186 N 0.81 0.77 -1.07 3.88 -0.00 -1.45 0.41 115.31 118.66 1rw5 h LEU 186 Ca 0.17 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 1rw5 h LEU 186 Cb 0.39 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 1rw5 h LEU 186 CO 0.01 0.53 0.44 0.11 -0.00 0.00 0.00 178.44 179.53 1rw5 h LYS 187 N 0.90 1.08 -0.21 1.13 1.57 -1.25 -2.05 116.57 117.74 1rw5 h LYS 187 Ca 0.29 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1rw5 h LYS 187 Cb 0.06 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1rw5 h LYS 187 CO -0.08 0.79 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.34 1rw5 h LEU 188 N 1.09 0.53 -1.66 2.94 3.38 -0.74 -2.83 115.31 118.02 1rw5 h LEU 188 Ca 0.28 -0.46 0.14 0.00 0.09 0.00 0.00 57.88 57.93 1rw5 h LEU 188 Cb 0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1rw5 h LEU 188 CO -0.05 0.88 0.47 -0.07 0.09 0.00 0.00 178.44 179.76 1rw5 h LEU 189 N 0.19 0.32 -0.84 1.67 4.07 -0.67 0.19 115.31 120.24 1rw5 h LEU 189 Ca 0.04 0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.11 1rw5 h LEU 189 Cb 0.71 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 42.33 1rw5 h LEU 189 CO 0.05 0.17 0.49 0.50 -1.08 0.00 0.00 178.44 178.57 1rw5 h LYS 190 N 0.35 0.79 -0.65 1.13 1.63 -1.12 0.41 116.57 119.10 1rw5 h LYS 190 Ca 0.33 -0.05 0.12 0.00 -0.85 0.00 0.00 60.65 60.21 1rw5 h LYS 190 Cb 0.82 -0.18 -0.12 0.00 -0.60 0.00 0.00 32.23 32.15 1rw5 h LYS 190 CO -0.09 0.52 -0.26 0.00 -3.45 0.00 0.00 179.45 176.17 1rw5 n ARG 192 N -5.45 2.28 0.08 0.00 1.74 -1.03 -1.76 116.66 112.52 1rw5 n ARG 192 Ca 0.07 -0.52 -0.13 0.00 -0.77 0.00 0.00 57.85 56.50 1rw5 n ARG 192 Cb 0.36 -1.02 -0.06 0.00 -1.02 0.00 0.00 32.46 30.72 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1rw5 h ILE 193 N 0.88 1.46 0.00 0.55 2.10 -0.10 -3.44 117.51 118.95 1rw5 h ILE 193 Ca 0.00 -2.68 0.00 0.00 1.08 0.00 0.00 64.86 63.26 1rw5 h ILE 193 Cb 0.28 2.59 0.00 0.00 -1.09 0.00 0.00 36.82 38.59 1rw5 h ILE 193 CO 0.00 0.79 -0.19 -0.38 -1.08 0.00 0.00 178.15 177.29 1rw5 n ILE 194 N -3.66 0.10 -3.87 2.19 5.41 -1.17 -5.03 119.36 113.32 1rw5 n ILE 194 Ca -0.06 0.03 -0.11 0.00 1.00 0.00 0.00 62.75 63.61 1rw5 n ILE 194 Cb 0.88 -0.77 -0.09 0.00 -0.71 0.00 0.00 39.64 38.95 1rw5 n ILE 194 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1rw5 s HIS 195 N -2.00 0.07 -2.56 1.39 3.76 -1.11 -5.04 115.29 109.81 1rw5 s HIS 195 Ca 0.00 -0.24 0.26 0.00 -0.15 0.00 0.00 55.06 54.94 1rw5 s HIS 195 Cb 0.00 -0.06 0.73 0.00 1.11 0.00 0.00 32.58 34.36 1rw5 s HIS 195 CO 0.00 -0.34 1.56 0.27 -0.85 0.00 0.00 174.74 175.38 1rw5 n ASN 196 N 1.10 1.91 -0.86 1.40 6.94 -0.72 -3.49 115.26 121.54 1rw5 n ASN 196 Ca -0.21 -1.59 0.05 0.00 -0.02 0.00 0.00 54.58 52.81 1rw5 n ASN 196 Cb 0.57 0.03 0.18 0.00 -2.36 0.00 0.00 39.78 38.20 1rw5 n ASN 196 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1rw5 n ASN 197 N 0.43 2.46 0.00 0.53 3.02 -1.26 -4.86 115.26 115.58 1rw5 n ASN 197 Ca 0.17 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1rw5 n ASN 197 Cb 0.43 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1rw5 n ASN 197 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1rw5 n ASN 198 N 0.48 0.00 0.00 6.41 5.03 -1.26 -5.13 115.26 120.80 1rw5 n ASN 198 Ca 0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.58 1rw5 n ASN 198 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43