#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw5 s PRO 2 N 0.00 2.16 -0.15 1.96 0.04 -1.26 -5.02 135.00 132.73 1rw5 s PRO 2 Ca 0.00 1.81 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 1rw5 s PRO 2 Cb 0.00 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1rw5 s PRO 2 CO 0.00 -1.83 -0.04 0.42 0.04 0.00 0.00 177.00 175.59 1rw5 s ILE 3 N -1.90 3.90 -0.31 0.56 -1.09 -1.26 -5.05 121.20 116.06 1rw5 s ILE 3 Ca 0.76 -0.36 -0.07 0.00 -2.23 0.00 0.00 60.65 58.75 1rw5 s ILE 3 Cb -0.30 -2.71 0.19 0.00 -1.58 0.00 0.00 42.46 38.06 1rw5 s ILE 3 CO 0.45 0.50 0.94 0.00 -1.23 0.00 0.00 174.94 175.59 1rw5 n PRO 5 N 4.86 0.80 -1.83 0.00 -0.02 -1.26 -4.88 135.00 132.67 1rw5 n PRO 5 Ca 0.08 0.29 -0.38 0.00 -2.02 0.00 0.00 63.50 61.46 1rw5 n PRO 5 Cb 0.58 -1.63 0.03 0.00 -0.02 0.00 0.00 33.50 32.47 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1rw5 s GLY 6 N -0.86 2.88 -0.05 -1.23 0.00 -1.26 -2.92 107.32 103.88 1rw5 s GLY 6 Ca 0.63 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.65 1rw5 s GLY 6 CO 0.58 1.82 0.00 0.61 0.00 0.00 0.00 173.10 176.11 1rw5 n GLY 7 N 0.69 0.35 3.63 0.20 0.00 -1.26 -4.99 105.19 103.81 1rw5 n GLY 7 Ca 0.10 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1rw5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw5 s ALA 8 N -2.03 3.42 0.41 4.61 0.00 -1.15 -4.88 121.76 122.14 1rw5 s ALA 8 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 51.96 51.95 1rw5 s ALA 8 Cb 0.00 -3.73 0.88 0.00 0.00 0.00 0.00 23.12 20.27 1rw5 s ALA 8 CO 0.00 -1.67 1.98 0.00 0.00 0.00 0.00 175.76 176.07 1rw5 h ALA 9 N 8.45 1.63 -2.03 0.00 0.00 -1.94 -3.30 119.26 122.07 1rw5 h ALA 9 Ca -0.22 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 53.99 1rw5 h ALA 9 Cb 1.06 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.38 1rw5 h ALA 9 CO 1.05 0.28 -1.06 2.89 0.00 0.00 0.00 179.25 182.41 1rw5 n ARG 10 N -4.36 0.85 0.02 0.00 0.00 -1.26 -4.94 116.66 106.98 1rw5 n ARG 10 Ca -0.00 -3.34 0.16 0.00 -0.00 0.00 0.00 57.85 54.66 1rw5 n ARG 10 Cb 0.20 -1.31 0.63 0.00 -0.00 0.00 0.00 32.46 31.98 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 -5.13 1.79 0.13 0.00 -0.21 -1.26 -5.02 119.66 109.97 1rw5 s GLN 12 Ca -0.06 -1.14 0.06 0.00 0.02 0.00 0.00 55.36 54.24 1rw5 s GLN 12 Cb 0.19 -2.07 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 1rw5 s GLN 12 CO 0.73 0.50 -0.14 0.14 -2.12 0.00 0.00 175.29 174.39 1rw5 s VAL 13 N -1.00 1.39 0.20 1.09 -7.23 -1.26 -5.11 120.40 108.47 1rw5 s VAL 13 Ca 0.15 -1.79 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 1rw5 s VAL 13 Cb -0.10 -1.62 -0.08 0.00 0.56 0.00 0.00 36.38 35.14 1rw5 s VAL 13 CO 0.06 -0.44 1.17 -0.89 -0.31 0.00 0.00 175.10 174.70 1rw5 s THR 14 N -2.26 3.59 0.22 5.32 2.01 -1.26 -4.90 115.64 118.34 1rw5 s THR 14 Ca 0.11 1.37 -0.09 0.00 0.31 0.00 0.00 61.69 63.40 1rw5 s THR 14 Cb -0.04 -3.88 0.16 0.00 0.01 0.00 0.00 72.50 68.75 1rw5 s THR 14 CO 0.03 0.24 1.81 -0.07 -0.69 0.00 0.00 174.62 175.94 1rw5 h LEU 15 N 5.01 0.58 -0.28 4.42 3.38 -1.99 -0.29 115.31 126.14 1rw5 h LEU 15 Ca -0.45 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1rw5 h LEU 15 Cb 1.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1rw5 h LEU 15 CO 0.73 0.37 -0.03 -0.09 0.09 0.00 0.00 178.44 179.51 1rw5 h ARG 16 N 0.71 0.51 0.10 1.13 2.43 -1.94 -1.17 114.38 116.16 1rw5 h ARG 16 Ca 0.31 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1rw5 h ARG 16 Cb 0.21 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1rw5 h ARG 16 CO -0.19 0.69 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.47 1rw5 h ASP 17 N 0.28 -0.12 -0.15 -3.80 3.32 -1.82 0.41 116.42 114.54 1rw5 h ASP 17 Ca 0.08 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1rw5 h ASP 17 Cb 0.48 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1rw5 h ASP 17 CO 0.02 0.11 -0.00 0.25 -1.72 0.00 0.00 179.24 177.89 1rw5 h LEU 18 N -0.34 0.27 -0.45 1.55 7.12 -1.12 -2.05 115.31 120.28 1rw5 h LEU 18 Ca -0.01 -0.31 -0.08 0.00 0.13 0.00 0.00 57.88 57.60 1rw5 h LEU 18 Cb 0.28 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.33 1rw5 h LEU 18 CO 0.02 0.52 -0.03 0.15 -0.13 0.00 0.00 178.44 178.97 1rw5 h PHE 19 N 0.01 0.90 -0.70 1.25 3.04 -1.23 -2.06 116.94 118.15 1rw5 h PHE 19 Ca 0.04 -0.17 0.03 0.00 3.98 0.00 0.00 57.97 61.86 1rw5 h PHE 19 Cb 0.38 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 1rw5 h PHE 19 CO 0.04 0.88 0.46 0.22 -2.02 0.00 0.00 178.31 177.89 1rw5 h ASP 20 N 0.66 0.73 -0.32 0.41 3.58 -0.13 -0.27 116.42 121.08 1rw5 h ASP 20 Ca 0.12 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 1rw5 h ASP 20 Cb 0.54 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1rw5 h ASP 20 CO 0.03 0.50 -0.16 -0.09 -2.88 0.00 0.00 179.24 176.64 1rw5 h ARG 21 N 0.85 0.68 -0.22 0.28 2.43 -1.08 -2.51 114.38 114.81 1rw5 h ARG 21 Ca 0.28 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1rw5 h ARG 21 Cb 0.06 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1rw5 h ARG 21 CO -0.08 0.89 -0.01 0.00 -1.51 0.00 0.00 179.97 179.26 1rw5 h ALA 22 N 0.77 1.57 -0.28 2.80 0.00 -0.60 0.68 119.26 124.20 1rw5 h ALA 22 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1rw5 h ALA 22 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1rw5 h ALA 22 CO 0.05 0.32 -0.14 0.28 0.00 0.00 0.00 179.25 179.76 1rw5 h VAL 23 N 0.32 1.30 -0.03 0.00 2.07 -0.86 -2.15 116.25 116.90 1rw5 h VAL 23 Ca 0.07 -1.23 -0.24 0.00 0.82 0.00 0.00 66.70 66.12 1rw5 h VAL 23 Cb 0.24 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1rw5 h VAL 23 CO 0.01 0.39 -0.94 0.58 0.02 0.00 0.00 177.57 177.62 1rw5 h VAL 24 N 0.33 1.33 -0.74 2.57 2.07 -1.01 -3.19 116.25 117.60 1rw5 h VAL 24 Ca 0.06 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.36 1rw5 h VAL 24 Cb 0.66 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 1rw5 h VAL 24 CO 0.04 0.69 0.49 0.25 0.02 0.00 0.00 177.57 179.06 1rw5 h LEU 25 N 0.35 0.75 -1.51 2.57 5.85 0.39 -1.07 115.31 122.66 1rw5 h LEU 25 Ca -0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1rw5 h LEU 25 Cb 1.58 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1rw5 h LEU 25 CO 0.18 0.51 0.09 0.28 -0.34 0.00 0.00 178.44 179.15 1rw5 h SER 26 N 0.87 0.37 0.32 1.25 0.02 -1.37 -2.09 113.55 112.92 1rw5 h SER 26 Ca 0.30 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 61.06 1rw5 h SER 26 Cb 0.11 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1rw5 h SER 26 CO -0.09 0.37 -0.64 -0.74 -1.14 0.00 0.00 176.83 174.58 1rw5 h HIS 27 N 0.41 0.40 -0.52 3.45 -0.00 -1.27 -3.16 115.15 114.47 1rw5 h HIS 27 Ca 0.10 -0.16 0.04 0.00 -0.00 0.00 0.00 60.37 60.35 1rw5 h HIS 27 Cb 0.14 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 1rw5 h HIS 27 CO 0.00 0.86 0.27 -0.92 -0.00 0.00 0.00 177.93 178.15 1rw5 h TYR 28 N 0.22 0.50 -0.03 5.26 3.20 -1.11 0.08 116.97 125.10 1rw5 h TYR 28 Ca -0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1rw5 h TYR 28 Cb 1.18 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1rw5 h TYR 28 CO 0.03 0.25 0.01 0.82 -1.64 0.00 0.00 178.16 177.63 1rw5 h ILE 29 N 0.53 1.01 -0.38 1.81 2.04 -1.51 -0.81 117.51 120.20 1rw5 h ILE 29 Ca 0.22 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1rw5 h ILE 29 Cb 0.12 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1rw5 h ILE 29 CO -0.15 0.01 0.20 -0.74 0.00 0.00 0.00 178.15 177.48 1rw5 h HIS 30 N 0.04 0.53 -0.53 1.37 2.76 -0.98 0.45 115.15 118.79 1rw5 h HIS 30 Ca 0.01 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1rw5 h HIS 30 Cb 0.01 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1rw5 h HIS 30 CO 0.00 0.42 0.13 -0.91 -1.30 0.00 0.00 177.93 176.27 1rw5 h ASN 31 N 0.48 0.80 0.36 3.26 2.35 -0.85 0.33 115.58 122.32 1rw5 h ASN 31 Ca 0.13 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1rw5 h ASN 31 Cb 0.07 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1rw5 h ASN 31 CO -0.02 0.83 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.34 1rw5 h LEU 32 N 0.74 -0.41 -1.62 1.61 3.38 -0.71 0.10 115.31 118.40 1rw5 h LEU 32 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1rw5 h LEU 32 Cb 0.34 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1rw5 h LEU 32 CO 0.00 -0.21 0.22 0.77 0.09 0.00 0.00 178.44 179.32 1rw5 h SER 33 N -0.59 0.42 0.46 -0.43 4.64 -0.01 0.60 113.55 118.63 1rw5 h SER 33 Ca -0.05 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1rw5 h SER 33 Cb 0.44 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1rw5 h SER 33 CO 0.08 0.32 -0.22 -1.28 -0.87 0.00 0.00 176.83 174.86 1rw5 h SER 34 N 0.49 -0.52 -0.35 4.97 0.87 0.18 -2.50 113.55 116.69 1rw5 h SER 34 Ca 0.13 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 1rw5 h SER 34 Cb -0.03 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1rw5 h SER 34 CO -0.03 -0.23 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.36 1rw5 h GLU 35 N -0.90 0.86 -0.41 2.24 4.39 -0.72 -1.95 114.58 118.09 1rw5 h GLU 35 Ca -0.06 -0.46 0.04 0.00 0.34 0.00 0.00 59.36 59.22 1rw5 h GLU 35 Cb 0.47 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 1rw5 h GLU 35 CO 0.10 1.10 0.17 1.98 -1.16 0.00 0.00 179.01 181.20 1rw5 h MET 36 N 0.66 0.34 -0.42 2.33 4.05 0.09 0.34 114.93 122.31 1rw5 h MET 36 Ca 0.06 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 1rw5 h MET 36 Cb 0.94 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 1rw5 h MET 36 CO 0.09 0.23 -0.02 0.35 0.23 0.00 0.00 176.91 177.79 1rw5 h PHE 37 N 0.35 0.83 -0.86 1.39 3.57 -1.43 -2.93 116.94 117.86 1rw5 h PHE 37 Ca 0.19 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1rw5 h PHE 37 Cb 0.14 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1rw5 h PHE 37 CO -0.13 0.83 0.56 0.77 -2.23 0.00 0.00 178.31 178.11 1rw5 h SER 38 N 0.59 0.95 -1.00 0.41 0.02 -0.72 0.53 113.55 114.33 1rw5 h SER 38 Ca 0.12 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1rw5 h SER 38 Cb 0.51 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1rw5 h SER 38 CO 0.02 0.67 0.66 -0.33 -1.14 0.00 0.00 176.83 176.71 1rw5 h GLU 39 N 1.11 1.24 0.03 3.45 5.08 -0.81 0.11 114.58 124.80 1rw5 h GLU 39 Ca 0.33 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1rw5 h GLU 39 Cb -0.05 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.92 1rw5 h GLU 39 CO -0.10 0.82 -0.02 0.35 -1.00 0.00 0.00 179.01 179.07 1rw5 h PHE 40 N 1.28 -0.04 -0.93 4.33 3.57 -1.08 -2.83 116.94 121.23 1rw5 h PHE 40 Ca 0.39 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.05 1rw5 h PHE 40 Cb -0.02 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.65 1rw5 h PHE 40 CO -0.00 0.59 0.60 0.22 -2.23 0.00 0.00 178.31 177.49 1rw5 h ASP 41 N -0.74 0.69 0.55 0.41 3.58 0.33 0.12 116.42 121.35 1rw5 h ASP 41 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1rw5 h ASP 41 Cb 0.65 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1rw5 h ASP 41 CO 0.01 0.32 -0.09 0.29 -2.88 0.00 0.00 179.24 176.89 1rw5 n LYS 42 N -4.60 0.43 -0.04 0.28 4.01 0.34 -0.57 118.16 118.00 1rw5 n LYS 42 Ca 0.19 -0.10 -0.04 0.00 -0.51 0.00 0.00 58.31 57.85 1rw5 n LYS 42 Cb 0.51 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.52 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1rw5 n ARG 43 N -1.20 0.26 0.08 1.97 1.74 0.37 -4.17 116.66 115.70 1rw5 n ARG 43 Ca 0.12 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.39 1rw5 n ARG 43 Cb 0.28 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 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 -3.45 0.93 -1.29 -1.55 4.02 -0.93 -4.16 117.16 110.74 1rw5 n TYR 44 Ca -0.07 0.28 0.05 0.00 -0.01 0.00 0.00 57.90 58.16 1rw5 n TYR 44 Cb 0.25 -0.98 0.20 0.00 -0.02 0.00 0.00 39.34 38.78 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 -2.72 2.21 -1.54 -0.72 -2.24 -1.07 -4.87 114.28 103.33 1rw5 n THR 45 Ca -0.03 -2.58 -0.28 0.00 -2.27 0.00 0.00 64.05 58.89 1rw5 n THR 45 Cb 0.64 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1rw5 n THR 45 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1rw5 n HIS 46 N -1.11 1.01 -3.61 4.78 -0.00 0.26 -1.91 115.22 114.65 1rw5 n HIS 46 Ca 0.22 0.11 -0.27 0.00 -0.00 0.00 0.00 57.72 57.78 1rw5 n HIS 46 Cb 0.80 -2.31 0.03 0.00 -0.00 0.00 0.00 29.99 28.51 1rw5 n HIS 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rw5 n GLY 47 N 6.27 -0.50 0.36 1.57 0.00 -1.26 -4.82 105.19 106.81 1rw5 n GLY 47 Ca 0.49 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.75 1rw5 n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rw5 h ARG 48 N -1.77 0.81 0.00 1.61 9.65 -1.72 -3.46 114.38 119.50 1rw5 h ARG 48 Ca -0.54 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 1rw5 h ARG 48 Cb 1.35 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 1rw5 h ARG 48 CO 0.62 0.54 0.00 0.41 2.80 0.00 0.00 179.97 184.33 1rw5 n GLY 49 N -1.42 3.14 0.16 2.80 0.00 -1.26 -4.85 105.19 103.77 1rw5 n GLY 49 Ca 0.14 -1.01 0.04 0.00 0.00 0.00 0.00 46.02 45.19 1rw5 n GLY 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1rw5 h PHE 50 N 0.00 0.00 0.00 1.61 -0.00 -1.97 -3.02 116.94 113.56 1rw5 h PHE 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1rw5 h PHE 50 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1rw5 h PHE 50 CO 0.00 0.45 0.00 0.44 -0.00 0.00 0.00 178.31 179.20 1rw5 n ILE 51 N -3.40 0.13 1.25 0.88 -5.35 -1.26 -3.18 119.36 108.42 1rw5 n ILE 51 Ca 0.01 0.03 0.03 0.00 -0.27 0.00 0.00 62.75 62.55 1rw5 n ILE 51 Cb 0.61 -0.67 0.10 0.00 -1.74 0.00 0.00 39.64 37.94 1rw5 n ILE 51 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1rw5 n THR 52 N -1.11 0.33 -3.05 7.28 5.66 -1.14 -4.87 114.28 117.38 1rw5 n THR 52 Ca 0.15 -0.29 -0.39 0.00 -3.05 0.00 0.00 64.05 60.46 1rw5 n THR 52 Cb 0.12 0.09 -0.06 0.00 -1.55 0.00 0.00 70.33 68.93 1rw5 n THR 52 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1rw5 s LYS 53 N -1.70 4.48 -0.88 1.09 2.20 -1.19 -4.94 119.74 118.80 1rw5 s LYS 53 Ca 0.14 1.05 -0.25 0.00 -0.36 0.00 0.00 55.97 56.55 1rw5 s LYS 53 Cb 0.08 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 33.04 1rw5 s LYS 53 CO 0.09 0.57 2.14 0.00 -0.36 0.00 0.00 175.35 177.79 1rw5 s ALA 54 N -1.06 1.21 -0.14 3.13 0.00 -1.26 -4.89 121.76 118.76 1rw5 s ALA 54 Ca 0.34 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 1rw5 s ALA 54 Cb -0.22 -4.58 -0.01 0.00 0.00 0.00 0.00 23.12 18.31 1rw5 s ALA 54 CO 0.24 -5.39 -0.13 0.42 0.00 0.00 0.00 175.76 170.90 1rw5 s ILE 55 N 12.39 2.98 -0.10 0.00 -1.09 -1.26 -4.98 121.20 129.14 1rw5 s ILE 55 Ca 0.80 -0.68 0.21 0.00 -2.23 0.00 0.00 60.65 58.75 1rw5 s ILE 55 Cb -0.09 -2.26 0.44 0.00 -1.58 0.00 0.00 42.46 38.98 1rw5 s ILE 55 CO 0.04 0.52 1.17 -0.46 -1.23 0.00 0.00 174.94 174.98 1rw5 n ASN 56 N 3.68 1.48 -4.67 3.58 6.94 -1.26 -4.97 115.26 120.03 1rw5 n ASN 56 Ca -0.18 -2.52 -0.38 0.00 -0.02 0.00 0.00 54.58 51.47 1rw5 n ASN 56 Cb 0.52 -0.38 0.05 0.00 -2.36 0.00 0.00 39.78 37.61 1rw5 n ASN 56 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1rw5 n SER 57 N -0.09 1.67 -3.56 0.53 7.64 -1.26 -5.00 113.62 113.54 1rw5 n SER 57 Ca 0.11 0.90 -0.15 0.00 1.01 0.00 0.00 58.87 60.75 1rw5 n SER 57 Cb 0.98 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rw5 h HIS 59 N 3.31 0.00 0.00 0.00 3.86 -1.96 -3.28 115.15 117.09 1rw5 h HIS 59 Ca -0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1rw5 h HIS 59 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1rw5 h HIS 59 CO 0.35 0.72 0.00 0.25 0.86 0.00 0.00 177.93 180.11 1rw5 n THR 60 N -3.08 0.23 0.26 2.45 -2.24 -1.26 -3.23 114.28 107.41 1rw5 n THR 60 Ca -0.07 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1rw5 n THR 60 Cb 0.88 -0.68 0.79 0.00 -2.10 0.00 0.00 70.33 69.22 1rw5 n THR 60 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rw5 h SER 61 N 0.00 0.00 0.04 3.42 4.64 -1.98 -0.06 113.55 119.61 1rw5 h SER 61 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rw5 h SER 61 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1rw5 h SER 61 CO 0.00 0.00 -0.01 0.77 -0.87 0.00 0.00 176.83 176.72 1rw5 h SER 62 N 0.00 0.00 -4.29 4.97 4.64 -1.83 -3.43 113.55 113.61 1rw5 h SER 62 Ca 0.02 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.82 1rw5 h SER 62 Cb 0.11 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.36 1rw5 h SER 62 CO -0.00 0.01 0.27 -0.76 -0.87 0.00 0.00 176.83 175.48 1rw5 s LEU 63 N -6.94 2.95 -0.49 5.97 2.01 -0.04 -4.89 118.68 117.25 1rw5 s LEU 63 Ca -0.05 2.02 -0.02 0.00 0.01 0.00 0.00 54.13 56.09 1rw5 s LEU 63 Cb 0.14 -4.55 0.25 0.00 0.01 0.00 0.00 46.19 42.04 1rw5 s LEU 63 CO 0.49 -2.58 2.22 0.00 1.01 0.00 0.00 176.35 177.49 1rw5 n ALA 64 N -3.86 5.90 -1.10 4.21 0.00 -1.26 -4.98 120.51 119.42 1rw5 n ALA 64 Ca 0.11 -2.70 -0.34 0.00 0.00 0.00 0.00 53.44 50.50 1rw5 n ALA 64 Cb 0.52 -1.73 0.11 0.00 0.00 0.00 0.00 19.45 18.36 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rw5 n THR 65 N 0.09 1.70 -1.61 0.00 -2.24 -1.26 -4.79 114.28 106.16 1rw5 n THR 65 Ca 0.45 -0.25 -0.48 0.00 -2.27 0.00 0.00 64.05 61.50 1rw5 n THR 65 Cb 0.55 -1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.72 1rw5 n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1rw5 n PRO 66 N -2.44 1.87 0.00 -0.78 -0.04 -1.26 -4.86 135.00 127.49 1rw5 n PRO 66 Ca 0.12 0.63 -0.04 0.00 -0.04 0.00 0.00 63.50 64.16 1rw5 n PRO 66 Cb 0.51 -2.70 0.17 0.00 -0.04 0.00 0.00 33.50 31.44 1rw5 n PRO 66 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rw5 h GLU 67 N 10.94 0.51 -3.80 0.54 5.08 -1.93 -3.46 114.58 122.46 1rw5 h GLU 67 Ca -0.42 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 57.61 1rw5 h GLU 67 Cb 1.28 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.42 1rw5 h GLU 67 CO 0.97 0.75 -0.16 0.16 -1.00 0.00 0.00 179.01 179.72 1rw5 s ASP 68 N -6.81 0.15 0.37 1.42 1.47 -1.26 -5.03 116.67 106.97 1rw5 s ASP 68 Ca -0.07 -1.10 0.06 0.00 1.18 0.00 0.00 52.55 52.62 1rw5 s ASP 68 Cb 0.13 0.60 0.70 0.00 -0.34 0.00 0.00 42.92 44.02 1rw5 s ASP 68 CO 0.80 -1.17 1.93 0.07 0.68 0.00 0.00 175.17 177.48 1rw5 h LYS 69 N 2.24 0.48 -0.47 2.11 2.10 -2.00 -2.05 116.57 118.98 1rw5 h LYS 69 Ca -0.28 -0.08 -0.08 0.00 -2.00 0.00 0.00 60.65 58.21 1rw5 h LYS 69 Cb 1.25 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 1rw5 h LYS 69 CO 0.38 0.47 -0.03 0.93 -2.00 0.00 0.00 179.45 179.19 1rw5 h GLU 70 N 0.47 0.86 -0.11 0.07 5.08 -2.00 -2.70 114.58 116.25 1rw5 h GLU 70 Ca 0.11 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1rw5 h GLU 70 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1rw5 h GLU 70 CO 0.00 0.92 -0.28 0.37 -1.00 0.00 0.00 179.01 179.02 1rw5 h GLN 71 N 0.71 0.21 -0.93 2.33 4.15 -1.87 -2.68 115.11 117.02 1rw5 h GLN 71 Ca 0.13 -0.07 0.11 0.00 0.77 0.00 0.00 58.65 59.59 1rw5 h GLN 71 Cb 0.55 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 1rw5 h GLN 71 CO 0.03 0.47 0.56 0.00 -1.93 0.00 0.00 178.83 177.96 1rw5 h ALA 72 N 1.54 1.36 -0.73 3.38 0.00 -1.04 0.87 119.26 124.64 1rw5 h ALA 72 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1rw5 h ALA 72 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1rw5 h ALA 72 CO 0.04 0.18 0.25 0.37 0.00 0.00 0.00 179.25 180.09 1rw5 h GLN 73 N 0.92 1.13 -0.06 0.00 4.15 -1.46 -1.77 115.11 118.01 1rw5 h GLN 73 Ca 0.45 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.56 1rw5 h GLN 73 Cb 0.41 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1rw5 h GLN 73 CO -0.25 0.95 -0.32 1.96 -1.93 0.00 0.00 178.83 179.24 1rw5 h GLN 74 N 1.08 0.11 -7.00 1.69 4.20 -0.42 -3.44 115.11 111.33 1rw5 h GLN 74 Ca 0.24 -0.04 -0.56 0.00 0.06 0.00 0.00 58.65 58.35 1rw5 h GLN 74 Cb 0.28 -0.01 0.14 0.00 0.30 0.00 0.00 27.48 28.20 1rw5 h GLN 74 CO -0.01 0.42 0.54 -1.33 -0.67 0.00 0.00 178.83 177.78 1rw5 n MET 75 N -4.13 1.59 -2.61 1.46 2.81 0.27 -4.98 117.12 111.52 1rw5 n MET 75 Ca -0.02 0.59 -0.29 0.00 -1.81 0.00 0.00 57.70 56.17 1rw5 n MET 75 Cb 0.38 -2.52 -0.01 0.00 -0.71 0.00 0.00 33.22 30.36 1rw5 n MET 75 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1rw5 s ASN 76 N -0.95 6.39 0.24 7.83 0.01 -1.26 -4.96 114.94 122.24 1rw5 s ASN 76 Ca 0.72 1.13 -0.06 0.00 -0.71 0.00 0.00 52.86 53.94 1rw5 s ASN 76 Cb -0.42 -2.33 0.30 0.00 0.41 0.00 0.00 41.25 39.21 1rw5 s ASN 76 CO 0.49 -0.54 1.88 1.56 -1.51 0.00 0.00 177.10 178.98 1rw5 h GLN 77 N 0.64 1.07 -0.44 -0.60 4.20 -1.95 -1.42 115.11 116.60 1rw5 h GLN 77 Ca -0.47 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 1rw5 h GLN 77 Cb 1.19 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 1rw5 h GLN 77 CO 0.63 0.71 0.09 0.87 -0.67 0.00 0.00 178.83 180.45 1rw5 h LYS 78 N 1.10 0.67 -0.91 1.46 1.57 -1.99 -2.42 116.57 116.05 1rw5 h LYS 78 Ca 0.37 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 1rw5 h LYS 78 Cb 0.05 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 1rw5 h LYS 78 CO -0.13 0.63 0.58 -0.44 -0.57 0.00 0.00 179.45 179.51 1rw5 h ASP 79 N 0.65 0.93 0.27 0.86 3.32 -1.63 0.84 116.42 121.66 1rw5 h ASP 79 Ca 0.15 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1rw5 h ASP 79 Cb 0.27 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1rw5 h ASP 79 CO 0.00 0.61 -0.13 -0.26 -1.72 0.00 0.00 179.24 177.74 1rw5 h PHE 80 N 1.08 -0.33 -0.73 4.55 -1.00 -1.30 0.47 116.94 119.68 1rw5 h PHE 80 Ca 0.38 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.12 1rw5 h PHE 80 Cb 0.11 0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1rw5 h PHE 80 CO -0.02 0.01 0.31 -0.07 -1.61 0.00 0.00 178.31 176.93 1rw5 h LEU 81 N -0.73 0.99 -0.76 1.54 4.07 -1.22 -2.26 115.31 116.94 1rw5 h LEU 81 Ca -0.04 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 57.68 1rw5 h LEU 81 Cb 0.49 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 1rw5 h LEU 81 CO 0.06 0.87 0.04 0.28 -1.08 0.00 0.00 178.44 178.62 1rw5 h SER 82 N 1.04 0.95 -0.64 -0.43 0.02 0.72 -2.97 113.55 112.23 1rw5 h SER 82 Ca 0.25 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1rw5 h SER 82 Cb 0.18 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1rw5 h SER 82 CO -0.02 0.98 0.16 -0.07 -1.14 0.00 0.00 176.83 176.74 1rw5 h LEU 83 N 0.92 0.96 -0.32 5.07 3.38 -0.51 -2.55 115.31 122.25 1rw5 h LEU 83 Ca 0.18 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1rw5 h LEU 83 Cb 0.47 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1rw5 h LEU 83 CO 0.02 0.94 0.06 0.40 0.09 0.00 0.00 178.44 179.95 1rw5 h ILE 84 N 0.94 0.83 -0.72 1.22 2.04 -1.26 0.53 117.51 121.09 1rw5 h ILE 84 Ca 0.20 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1rw5 h ILE 84 Cb 0.35 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1rw5 h ILE 84 CO 0.00 0.03 0.48 0.58 0.00 0.00 0.00 178.15 179.24 1rw5 h VAL 85 N 0.17 1.18 -0.47 1.67 2.07 -1.47 -0.84 116.25 118.55 1rw5 h VAL 85 Ca 0.15 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1rw5 h VAL 85 Cb 0.17 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1rw5 h VAL 85 CO -0.21 0.18 0.19 0.28 0.02 0.00 0.00 177.57 178.03 1rw5 h SER 86 N 0.97 0.64 0.42 0.57 0.02 -0.93 -0.69 113.55 114.56 1rw5 h SER 86 Ca 0.26 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1rw5 h SER 86 Cb -0.11 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1rw5 h SER 86 CO -0.06 0.63 -0.20 0.40 -1.14 0.00 0.00 176.83 176.46 1rw5 h ILE 87 N 0.62 0.41 -0.66 3.27 2.04 -0.52 -1.69 117.51 120.98 1rw5 h ILE 87 Ca 0.16 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1rw5 h ILE 87 Cb 0.19 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1rw5 h ILE 87 CO -0.01 0.08 0.32 -0.07 0.00 0.00 0.00 178.15 178.46 1rw5 h LEU 88 N -0.97 0.87 -0.65 1.44 3.38 -1.21 -2.85 115.31 115.32 1rw5 h LEU 88 Ca -0.06 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1rw5 h LEU 88 Cb 0.56 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1rw5 h LEU 88 CO 0.10 0.75 -0.24 -0.09 0.09 0.00 0.00 178.44 179.05 1rw5 h ARG 89 N 0.92 0.80 -0.37 1.13 2.43 -1.21 -2.88 114.38 115.20 1rw5 h ARG 89 Ca 0.23 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1rw5 h ARG 89 Cb 0.12 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1rw5 h ARG 89 CO -0.03 0.96 0.25 1.03 -1.51 0.00 0.00 179.97 180.66 1rw5 h SER 90 N 0.69 0.38 0.44 -3.80 0.87 -1.08 -0.68 113.55 110.38 1rw5 h SER 90 Ca 0.09 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1rw5 h SER 90 Cb 0.76 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1rw5 h SER 90 CO 0.06 0.27 0.00 0.79 -0.53 0.00 0.00 176.83 177.42 1rw5 n TRP 91 N -4.48 0.00 -0.16 2.24 7.02 -1.09 -3.53 117.44 117.45 1rw5 n TRP 91 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1rw5 n TRP 91 Cb 0.10 -0.28 0.26 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 0.77 0.27 -0.99 2.35 -1.17 -2.81 115.58 114.01 1rw5 h ASN 92 Ca 0.00 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1rw5 h ASN 92 Cb 0.22 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1rw5 h ASN 92 CO 0.00 0.61 -0.13 -0.08 -1.65 0.00 0.00 177.43 176.18 1rw5 h GLU 93 N 0.88 -0.35 -0.82 0.81 4.57 -1.76 -3.09 114.58 114.81 1rw5 h GLU 93 Ca 0.23 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.63 1rw5 h GLU 93 Cb 0.00 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 28.53 1rw5 h GLU 93 CO -0.04 -0.09 0.05 -1.35 -1.18 0.00 0.00 179.01 176.40 1rw5 h PRO 94 N -1.02 0.11 -0.07 0.92 0.11 -1.75 0.34 132.00 130.64 1rw5 h PRO 94 Ca -0.04 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 1rw5 h PRO 94 Cb 0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1rw5 h PRO 94 CO 0.06 0.07 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.58 1rw5 h LEU 95 N 0.11 0.12 -0.15 2.35 3.38 -1.61 -2.17 115.31 117.34 1rw5 h LEU 95 Ca 0.47 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.43 1rw5 h LEU 95 Cb 0.88 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1rw5 h LEU 95 CO -0.71 0.40 0.01 0.22 0.09 0.00 0.00 178.44 178.45 1rw5 h TYR 96 N 0.11 0.01 -0.09 1.13 3.20 -0.22 -0.75 116.97 120.36 1rw5 h TYR 96 Ca 0.02 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.69 1rw5 h TYR 96 Cb 0.55 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1rw5 h TYR 96 CO 0.00 -0.01 -0.78 1.12 -1.64 0.00 0.00 178.16 176.85 1rw5 h HIS 97 N 0.06 0.75 -0.84 -3.82 2.07 -1.40 -2.50 115.15 109.47 1rw5 h HIS 97 Ca 0.07 -0.34 0.08 0.00 -2.85 0.00 0.00 60.37 57.33 1rw5 h HIS 97 Cb 0.08 -0.11 -0.07 0.00 2.57 0.00 0.00 27.41 29.88 1rw5 h HIS 97 CO -0.15 1.13 0.50 -0.07 -3.07 0.00 0.00 177.93 176.28 1rw5 h LEU 98 N 0.36 0.75 -0.22 6.12 3.38 -1.06 -0.10 115.31 124.53 1rw5 h LEU 98 Ca -0.05 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1rw5 h LEU 98 Cb 1.39 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1rw5 h LEU 98 CO 0.14 0.45 -0.20 0.58 0.09 0.00 0.00 178.44 179.50 1rw5 h VAL 99 N 0.87 1.32 -0.04 1.22 2.07 -1.08 -1.67 116.25 118.94 1rw5 h VAL 99 Ca 0.39 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1rw5 h VAL 99 Cb 0.29 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1rw5 h VAL 99 CO -0.22 0.42 0.01 0.71 0.02 0.00 0.00 177.57 178.52 1rw5 h THR 100 N 0.22 1.15 -0.68 2.57 1.35 -0.95 0.67 112.91 117.24 1rw5 h THR 100 Ca 0.04 -0.44 -0.07 0.00 -0.55 0.00 0.00 66.41 65.39 1rw5 h THR 100 Cb 0.74 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 68.51 1rw5 h THR 100 CO 0.05 0.12 0.14 -0.08 -0.25 0.00 0.00 175.52 175.50 1rw5 h GLU 101 N -0.11 1.10 -0.36 4.72 4.57 -1.10 -2.71 114.58 120.69 1rw5 h GLU 101 Ca 0.01 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 57.81 1rw5 h GLU 101 Cb 0.18 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1rw5 h GLU 101 CO -0.00 0.98 -0.21 0.28 -1.18 0.00 0.00 179.01 178.88 1rw5 h VAL 102 N 1.04 1.27 -0.93 0.32 2.07 -1.16 -2.71 116.25 116.15 1rw5 h VAL 102 Ca 0.21 -1.29 0.11 0.00 0.82 0.00 0.00 66.70 66.55 1rw5 h VAL 102 Cb 0.39 1.22 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1rw5 h VAL 102 CO 0.01 0.43 0.59 -0.09 0.02 0.00 0.00 177.57 178.53 1rw5 h ARG 103 N 0.62 0.85 -0.55 1.57 2.43 -0.53 0.52 114.38 119.29 1rw5 h ARG 103 Ca 0.09 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1rw5 h ARG 103 Cb 0.70 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rw5 h ARG 103 CO 0.05 0.56 0.00 0.41 -1.51 0.00 0.00 179.97 179.49 1rw5 n GLY 104 N -1.40 1.61 3.61 2.80 0.00 -1.07 -4.78 105.19 105.96 1rw5 n GLY 104 Ca 0.17 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.36 3.93 0.17 1.61 -2.45 0.17 -4.93 119.30 116.44 1rw5 s MET 105 Ca 0.36 0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 55.17 1rw5 s MET 105 Cb 0.20 -3.74 0.07 0.00 1.25 0.00 0.00 34.83 32.61 1rw5 s MET 105 CO 0.23 -0.67 1.75 1.96 1.05 0.00 0.00 175.02 179.34 1rw5 h GLN 106 N 8.17 0.86 0.00 4.11 4.20 -1.89 0.11 115.11 130.66 1rw5 h GLN 106 Ca -0.25 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.24 1rw5 h GLN 106 Cb 1.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1rw5 h GLN 106 CO 0.87 0.71 -0.41 0.93 -0.67 0.00 0.00 178.83 180.25 1rw5 h GLU 107 N 0.80 0.00 -2.09 1.46 5.08 -1.95 -3.33 114.58 114.55 1rw5 h GLU 107 Ca 0.20 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.99 1rw5 h GLU 107 Cb 0.15 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.99 1rw5 h GLU 107 CO -0.02 0.41 -0.89 0.00 -1.00 0.00 0.00 179.01 177.51 1rw5 n ALA 108 N -2.36 3.16 -0.06 3.43 0.00 -0.78 -4.92 120.51 118.98 1rw5 n ALA 108 Ca -0.01 -4.00 -0.02 0.00 0.00 0.00 0.00 53.44 49.41 1rw5 n ALA 108 Cb 0.49 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 1rw5 n ALA 108 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rw5 h PRO 109 N 3.98 0.00 0.00 0.00 0.13 -0.93 -3.37 132.00 131.80 1rw5 h PRO 109 Ca 0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1rw5 h PRO 109 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1rw5 h PRO 109 CO 0.63 0.00 -1.56 0.39 -0.23 0.00 0.00 178.00 177.23 1rw5 n GLU 110 N -4.55 1.49 0.00 0.86 1.02 -1.26 -4.11 120.64 114.09 1rw5 n GLU 110 Ca -0.03 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1rw5 n GLU 110 Cb 0.11 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rw5 n ALA 111 N -2.12 -0.42 0.13 0.62 0.00 -1.26 -0.12 120.51 117.33 1rw5 n ALA 111 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 1rw5 n ALA 111 Cb 0.56 0.05 0.23 0.00 0.00 0.00 0.00 19.45 20.29 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 1.34 -0.57 0.00 2.04 -1.86 -2.91 117.51 115.55 1rw5 h ILE 112 Ca 0.00 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.17 1rw5 h ILE 112 Cb 0.00 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1rw5 h ILE 112 CO 0.00 0.48 0.19 0.25 0.00 0.00 0.00 178.15 179.07 1rw5 h LEU 113 N 0.10 0.79 -1.12 1.44 7.12 -1.70 0.95 115.31 122.89 1rw5 h LEU 113 Ca 0.00 -0.12 0.03 0.00 0.13 0.00 0.00 57.88 57.93 1rw5 h LEU 113 Cb 0.88 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.75 1rw5 h LEU 113 CO 0.07 0.74 0.60 0.77 -0.13 0.00 0.00 178.44 180.48 1rw5 h SER 114 N 0.83 0.99 0.42 1.25 4.64 -0.31 0.16 113.55 121.54 1rw5 h SER 114 Ca 0.19 -0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 61.19 1rw5 h SER 114 Cb 0.23 -0.23 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1rw5 h SER 114 CO -0.01 0.69 -1.37 0.11 -0.87 0.00 0.00 176.83 175.38 1rw5 h LYS 115 N 1.16 0.43 -0.57 4.77 1.79 -1.49 -3.07 116.57 119.59 1rw5 h LYS 115 Ca 0.36 -0.72 -0.10 0.00 -2.18 0.00 0.00 60.65 58.01 1rw5 h LYS 115 Cb -0.01 0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1rw5 h LYS 115 CO -0.10 1.34 -0.02 0.00 -1.08 0.00 0.00 179.45 179.58 1rw5 h ALA 116 N 0.35 0.88 -0.28 3.86 0.00 -0.27 0.49 119.26 124.29 1rw5 h ALA 116 Ca -0.20 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1rw5 h ALA 116 Cb 2.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1rw5 h ALA 116 CO 0.24 0.65 -0.43 -0.24 0.00 0.00 0.00 179.25 179.47 1rw5 h VAL 117 N 0.91 1.29 0.00 0.00 3.04 -0.80 -2.53 116.25 118.16 1rw5 h VAL 117 Ca 0.16 -1.62 -0.18 0.00 -1.01 0.00 0.00 66.70 64.06 1rw5 h VAL 117 Cb 0.56 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.35 1rw5 h VAL 117 CO 0.03 0.52 -0.98 1.05 -1.01 0.00 0.00 177.57 177.18 1rw5 h GLU 118 N 0.58 0.00 -0.14 4.17 4.11 -1.42 -3.16 114.58 118.72 1rw5 h GLU 118 Ca 0.04 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.27 1rw5 h GLU 118 Cb 0.98 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1rw5 h GLU 118 CO 0.09 0.66 -0.69 0.97 0.07 0.00 0.00 179.01 180.11 1rw5 h ILE 119 N 0.00 1.30 -0.24 -1.06 2.10 0.01 -0.91 117.51 118.72 1rw5 h ILE 119 Ca -0.07 -1.92 -0.08 0.00 1.08 0.00 0.00 64.86 63.88 1rw5 h ILE 119 Cb 1.64 2.03 -0.01 0.00 -1.09 0.00 0.00 36.82 39.39 1rw5 h ILE 119 CO 0.09 0.60 -0.19 -0.08 -1.08 0.00 0.00 178.15 177.50 1rw5 h GLU 120 N 0.42 0.42 0.04 2.19 4.81 -1.57 -2.00 114.58 118.90 1rw5 h GLU 120 Ca -0.05 -0.13 -0.25 0.00 -0.13 0.00 0.00 59.36 58.80 1rw5 h GLU 120 Cb 1.33 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.69 1rw5 h GLU 120 CO 0.14 0.59 -1.02 0.93 -0.73 0.00 0.00 179.01 178.93 1rw5 h GLU 121 N 0.38 0.61 -0.41 1.92 5.08 -1.50 -3.20 114.58 117.46 1rw5 h GLU 121 Ca 0.07 -0.72 -0.05 0.00 -1.00 0.00 0.00 59.36 57.66 1rw5 h GLU 121 Cb 0.55 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1rw5 h GLU 121 CO 0.04 1.30 0.06 0.37 -1.00 0.00 0.00 179.01 179.78 1rw5 h GLN 122 N 0.24 0.63 -0.43 2.33 5.75 -1.03 -2.44 115.11 120.16 1rw5 h GLN 122 Ca -0.14 -0.12 -0.05 0.00 -0.15 0.00 0.00 58.65 58.18 1rw5 h GLN 122 Cb 1.70 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 30.13 1rw5 h GLN 122 CO 0.20 0.61 0.06 1.79 -2.65 0.00 0.00 178.83 178.83 1rw5 h THR 123 N 0.61 1.21 -0.02 2.39 1.35 -1.39 -2.57 112.91 114.49 1rw5 h THR 123 Ca 0.13 -0.80 -0.16 0.00 -0.55 0.00 0.00 66.41 65.04 1rw5 h THR 123 Cb 0.29 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 1rw5 h THR 123 CO 0.00 0.28 -0.72 0.11 -0.25 0.00 0.00 175.52 174.94 1rw5 h LYS 124 N 0.64 0.12 -0.55 4.72 1.57 -1.44 -3.08 116.57 118.56 1rw5 h LYS 124 Ca 0.14 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1rw5 h LYS 124 Cb 0.31 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 1rw5 h LYS 124 CO 0.01 0.79 0.34 0.00 -0.57 0.00 0.00 179.45 180.01 1rw5 h ARG 125 N 0.08 0.65 -0.89 3.15 3.08 -1.16 -0.70 114.38 118.59 1rw5 h ARG 125 Ca -0.02 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1rw5 h ARG 125 Cb 1.28 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 1rw5 h ARG 125 CO 0.10 0.43 0.58 -0.07 -1.07 0.00 0.00 179.97 179.95 1rw5 h LEU 126 N 0.67 0.94 -0.19 3.04 3.38 -1.46 -1.47 115.31 120.22 1rw5 h LEU 126 Ca 0.22 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1rw5 h LEU 126 Cb 0.00 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1rw5 h LEU 126 CO -0.09 0.63 -0.13 -0.07 0.09 0.00 0.00 178.44 178.87 1rw5 h LEU 127 N 1.08 -0.43 -0.57 1.67 -0.00 -1.05 0.89 115.31 116.90 1rw5 h LEU 127 Ca 0.36 0.09 -0.07 0.00 -0.00 0.00 0.00 57.88 58.27 1rw5 h LEU 127 Cb 0.07 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 1rw5 h LEU 127 CO -0.12 -0.17 0.09 -0.33 -0.00 0.00 0.00 178.44 177.92 1rw5 h GLU 128 N -0.13 0.94 -0.46 1.13 5.08 -1.11 0.43 114.58 120.46 1rw5 h GLU 128 Ca 0.11 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1rw5 h GLU 128 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1rw5 h GLU 128 CO -0.27 0.90 0.14 0.78 -1.00 0.00 0.00 179.01 179.56 1rw5 h GLY 129 N 0.83 0.72 1.07 -3.84 0.00 -0.48 -2.62 103.07 98.75 1rw5 h GLY 129 Ca 0.17 -0.37 -0.26 0.00 0.00 0.00 0.00 47.33 46.86 1rw5 h GLY 129 CO 0.01 0.35 -1.12 -0.33 0.00 0.00 0.00 176.54 175.46 1rw5 h MET 130 N 0.66 0.53 -0.24 4.80 2.86 0.13 -2.38 114.93 121.29 1rw5 h MET 130 Ca 0.16 -0.74 0.03 0.00 -2.06 0.00 0.00 59.70 57.08 1rw5 h MET 130 Cb 0.20 0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1rw5 h MET 130 CO -0.01 1.33 0.17 0.93 1.06 0.00 0.00 176.91 180.39 1rw5 h GLU 131 N 0.08 0.20 0.12 1.72 5.08 0.06 0.24 114.58 122.09 1rw5 h GLU 131 Ca -0.18 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 57.86 1rw5 h GLU 131 Cb 1.83 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 1rw5 h GLU 131 CO 0.21 0.14 -1.57 1.37 -1.00 0.00 0.00 179.01 178.16 1rw5 h LEU 132 N 0.21 0.41 0.32 1.33 8.10 -1.53 -2.17 115.31 121.98 1rw5 h LEU 132 Ca 0.10 -0.58 -0.02 0.00 0.11 0.00 0.00 57.88 57.49 1rw5 h LEU 132 Cb 0.15 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.24 1rw5 h LEU 132 CO -0.02 1.49 -0.15 0.40 -4.11 0.00 0.00 178.44 176.05 1rw5 h ILE 133 N 0.07 0.69 -0.85 0.15 2.04 -0.76 0.55 117.51 119.42 1rw5 h ILE 133 Ca -0.26 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1rw5 h ILE 133 Cb 2.03 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1rw5 h ILE 133 CO 0.16 0.01 0.43 1.62 0.00 0.00 0.00 178.15 180.37 1rw5 h VAL 134 N -0.46 1.26 0.00 1.67 3.04 -0.69 0.88 116.25 121.95 1rw5 h VAL 134 Ca -0.04 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 1rw5 h VAL 134 Cb 0.35 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 1rw5 h VAL 134 CO 0.07 0.30 0.00 0.28 -1.01 0.00 0.00 177.57 177.21 1rw5 h SER 135 N 1.20 0.00 0.02 3.17 0.02 -0.98 0.13 113.55 117.10 1rw5 h SER 135 Ca 0.29 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.86 1rw5 h SER 135 Cb 0.09 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1rw5 h SER 135 CO -0.04 0.00 -2.42 0.00 -1.14 0.00 0.00 176.83 173.23 1rw5 n GLN 136 N -2.85 0.66 -0.14 3.45 6.02 0.19 -3.39 117.38 121.32 1rw5 n GLN 136 Ca 0.01 0.17 -0.11 0.00 -0.01 0.00 0.00 57.00 57.05 1rw5 n GLN 136 Cb 0.30 -1.54 0.01 0.00 1.02 0.00 0.00 30.24 30.02 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1rw5 h VAL 137 N 0.00 1.27 -2.80 5.09 2.07 0.77 -3.36 116.25 119.30 1rw5 h VAL 137 Ca -0.56 -1.43 -0.61 0.00 0.82 0.00 0.00 66.70 64.92 1rw5 h VAL 137 Cb 1.92 1.21 -0.40 0.00 -1.52 0.00 0.00 31.29 32.49 1rw5 h VAL 137 CO -0.07 0.49 -0.75 -1.00 0.02 0.00 0.00 177.57 176.26 1rw5 s HIS 138 N -4.58 2.35 0.63 1.57 3.76 0.45 -4.95 115.29 114.51 1rw5 s HIS 138 Ca -0.11 -2.79 0.29 0.00 -0.15 0.00 0.00 55.06 52.29 1rw5 s HIS 138 Cb 0.12 -1.89 1.52 0.00 1.11 0.00 0.00 32.58 33.44 1rw5 s HIS 138 CO 0.87 -0.70 1.89 -1.35 -0.85 0.00 0.00 174.74 174.61 1rw5 h PRO 139 N 5.74 0.00 -1.62 8.40 0.11 -1.71 -1.80 132.00 141.12 1rw5 h PRO 139 Ca 0.16 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.63 1rw5 h PRO 139 Cb 0.84 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.58 1rw5 h PRO 139 CO 0.54 0.00 -0.20 0.39 -0.21 0.00 0.00 178.00 178.52 1rw5 n GLU 140 N -3.32 3.23 -1.98 1.05 1.02 -1.26 -5.02 120.64 114.37 1rw5 n GLU 140 Ca 0.03 -4.20 -0.42 0.00 -0.02 0.00 0.00 57.16 52.55 1rw5 n GLU 140 Cb 0.53 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.67 1rw5 n GLU 140 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1rw5 s THR 141 N -5.36 2.87 -0.01 2.62 2.01 -0.68 -4.93 115.64 112.16 1rw5 s THR 141 Ca 0.50 0.55 -0.09 0.00 0.31 0.00 0.00 61.69 62.96 1rw5 s THR 141 Cb 0.41 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1rw5 s THR 141 CO -0.24 0.03 0.69 0.11 -0.69 0.00 0.00 174.62 174.52 1rw5 h LYS 142 N 7.20 -0.32 -2.74 4.92 1.57 -1.96 -3.46 116.57 121.78 1rw5 h LYS 142 Ca -0.42 0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.21 1rw5 h LYS 142 Cb 1.20 0.07 -0.30 0.00 0.08 0.00 0.00 32.23 33.28 1rw5 h LYS 142 CO 0.91 -0.22 -0.47 -1.83 -0.57 0.00 0.00 179.45 177.28 1rw5 s GLU 143 N -2.94 0.22 0.00 3.15 -1.05 -1.26 -5.01 118.70 111.80 1rw5 s GLU 143 Ca -0.05 0.84 0.00 0.00 -0.15 0.00 0.00 54.97 55.61 1rw5 s GLU 143 Cb 0.00 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.78 1rw5 s GLU 143 CO 0.15 -0.26 0.83 0.27 0.95 0.00 0.00 175.26 177.20 1rw5 n ASN 144 N 5.27 0.00 -1.38 0.83 6.94 -1.26 -4.84 115.26 120.82 1rw5 n ASN 144 Ca -0.08 -1.68 0.05 0.00 -0.02 0.00 0.00 54.58 52.85 1rw5 n ASN 144 Cb 0.50 -0.14 0.31 0.00 -2.36 0.00 0.00 39.78 38.09 1rw5 n ASN 144 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1rw5 n GLU 145 N 0.00 3.55 -4.03 -3.83 0.28 -1.26 -4.56 120.64 110.79 1rw5 n GLU 145 Ca 0.00 -3.01 -0.36 0.00 -0.16 0.00 0.00 57.16 53.63 1rw5 n GLU 145 Cb 0.64 -2.03 -0.07 0.00 1.43 0.00 0.00 31.44 31.40 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 -2.88 5.11 0.06 3.84 1.01 -1.26 -5.04 121.20 122.05 1rw5 s ILE 146 Ca 0.48 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 61.09 1rw5 s ILE 146 Cb 0.39 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1rw5 s ILE 146 CO 0.11 0.60 0.21 -0.72 0.00 0.00 0.00 174.94 175.14 1rw5 s TYR 147 N -0.85 0.08 0.68 3.97 1.13 -1.26 -4.45 117.35 116.65 1rw5 s TYR 147 Ca 0.13 -0.38 -0.17 0.00 -1.41 0.00 0.00 57.07 55.24 1rw5 s TYR 147 Cb -0.12 -0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 1rw5 s TYR 147 CO 0.03 -0.49 1.03 -2.30 -2.51 0.00 0.00 175.55 171.31 1rw5 n PRO 148 N 0.33 0.71 -3.66 -3.49 -0.02 -1.26 -4.98 135.00 122.63 1rw5 n PRO 148 Ca -0.17 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.25 1rw5 n PRO 148 Cb 0.61 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 1rw5 n PRO 148 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rw5 s VAL 149 N -1.66 5.36 -0.44 -1.45 1.01 -1.26 -4.84 120.40 117.13 1rw5 s VAL 149 Ca 0.76 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.72 1rw5 s VAL 149 Cb -0.37 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1rw5 s VAL 149 CO 0.47 0.38 1.75 0.86 0.00 0.00 0.00 175.10 178.56 1rw5 s TRP 150 N 0.73 1.87 -0.07 5.22 -0.00 -1.26 -4.79 118.94 120.63 1rw5 s TRP 150 Ca 0.09 0.68 0.10 0.00 -0.00 0.00 0.00 56.10 56.97 1rw5 s TRP 150 Cb -0.12 -4.15 0.15 0.00 -0.00 0.00 0.00 33.47 29.35 1rw5 s TRP 150 CO 0.02 -2.57 1.07 0.43 -0.00 0.00 0.00 176.95 175.91 1rw5 n SER 151 N 10.81 2.13 -3.46 5.86 7.64 -1.26 -5.05 113.62 130.29 1rw5 n SER 151 Ca 0.21 -2.57 -0.17 0.00 1.01 0.00 0.00 58.87 57.35 1rw5 n SER 151 Cb 0.49 -0.23 0.11 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.99 -0.32 3.27 0.23 0.00 -1.26 -4.62 105.19 101.51 1rw5 n GLY 152 Ca 0.09 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -5.43 -0.11 0.99 4.77 -1.26 -4.81 117.00 111.15 1rw5 n LEU 153 Ca 0.11 -0.45 0.26 0.00 -0.03 0.00 0.00 56.01 55.91 1rw5 n LEU 153 Cb 0.38 -2.97 0.72 0.00 -2.33 0.00 0.00 43.42 39.22 1rw5 n LEU 153 CO 0.27 -0.46 1.24 -0.65 -1.33 0.00 0.00 177.39 176.46 1rw5 h PRO 154 N -0.28 0.00 -1.19 3.23 0.11 -2.02 -3.37 132.00 128.48 1rw5 h PRO 154 Ca -0.30 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.82 1rw5 h PRO 154 Cb 1.17 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.05 1rw5 h PRO 154 CO 0.36 0.00 -0.36 -1.54 -0.21 0.00 0.00 178.00 176.26 1rw5 s SER 155 N -5.45 -1.07 0.45 -2.05 1.04 -1.26 -5.00 113.70 100.36 1rw5 s SER 155 Ca -0.05 0.46 0.17 0.00 0.48 0.00 0.00 55.95 57.01 1rw5 s SER 155 Cb 0.20 1.89 1.07 0.00 0.10 0.00 0.00 66.02 69.27 1rw5 s SER 155 CO 0.70 -0.29 1.99 -0.07 0.98 0.00 0.00 173.24 176.55 1rw5 h LEU 156 N 8.04 0.00 -2.04 2.42 3.38 -1.97 -1.33 115.31 123.81 1rw5 h LEU 156 Ca -0.14 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1rw5 h LEU 156 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1rw5 h LEU 156 CO 0.23 0.19 0.37 1.56 0.09 0.00 0.00 178.44 180.89 1rw5 h GLN 157 N 0.00 0.00 -5.28 1.13 1.08 -1.96 -3.40 115.11 106.68 1rw5 h GLN 157 Ca -0.00 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.73 1rw5 h GLN 157 Cb 0.37 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.76 1rw5 h GLN 157 CO 0.03 0.00 1.67 -0.12 -0.95 0.00 0.00 178.83 179.46 1rw5 n MET 158 N -3.90 0.48 -0.55 1.46 1.56 -0.50 -4.75 117.12 110.91 1rw5 n MET 158 Ca 0.07 -0.02 0.03 0.00 -0.27 0.00 0.00 57.70 57.51 1rw5 n MET 158 Cb 0.55 -2.42 0.24 0.00 2.15 0.00 0.00 33.22 33.73 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rw5 n ALA 159 N 13.06 3.38 -1.70 -5.12 0.00 -1.26 -4.54 120.51 124.33 1rw5 n ALA 159 Ca 0.52 -1.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.36 1rw5 n ALA 159 Cb 0.28 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 1rw5 n ALA 159 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rw5 n ASP 160 N 0.33 3.00 0.07 0.00 2.03 -1.26 -4.86 116.55 115.86 1rw5 n ASP 160 Ca 0.17 1.17 0.02 0.00 0.52 0.00 0.00 54.79 56.68 1rw5 n ASP 160 Cb 0.84 -1.49 0.38 0.00 -0.72 0.00 0.00 41.12 40.13 1rw5 n ASP 160 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1rw5 h GLU 161 N 3.57 0.37 0.00 -0.67 5.08 -2.00 -2.98 114.58 117.95 1rw5 h GLU 161 Ca -0.46 -0.07 -0.35 0.00 -1.00 0.00 0.00 59.36 57.48 1rw5 h GLU 161 Cb 1.27 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 1rw5 h GLU 161 CO 0.70 0.41 -2.22 0.39 -1.00 0.00 0.00 179.01 177.30 1rw5 n GLU 162 N -4.33 0.48 -0.13 2.33 1.02 -1.26 -4.35 120.64 114.40 1rw5 n GLU 162 Ca 0.01 0.18 -0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1rw5 n GLU 162 Cb 0.21 -1.32 0.04 0.00 -0.02 0.00 0.00 31.44 30.35 1rw5 n GLU 162 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1rw5 h SER 163 N -0.57 0.13 -0.79 1.62 0.87 -1.96 -1.00 113.55 111.86 1rw5 h SER 163 Ca -0.53 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.17 1rw5 h SER 163 Cb 1.55 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 63.50 1rw5 h SER 163 CO -0.26 0.11 0.51 -0.09 -0.53 0.00 0.00 176.83 176.57 1rw5 h ARG 164 N 0.30 0.74 -0.61 2.24 9.65 -1.76 -0.82 114.38 124.11 1rw5 h ARG 164 Ca 0.20 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.10 1rw5 h ARG 164 Cb 0.20 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 1rw5 h ARG 164 CO -0.21 0.49 0.31 -0.07 2.80 0.00 0.00 179.97 183.28 1rw5 h LEU 165 N 0.76 0.42 -1.47 3.80 3.38 -1.38 0.26 115.31 121.08 1rw5 h LEU 165 Ca 0.35 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.44 1rw5 h LEU 165 Cb 0.38 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1rw5 h LEU 165 CO -0.13 0.27 0.44 0.77 0.09 0.00 0.00 178.44 179.88 1rw5 h SER 166 N 0.57 0.55 -0.89 -0.43 4.64 -0.96 0.94 113.55 117.97 1rw5 h SER 166 Ca 0.28 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.72 1rw5 h SER 166 Cb 0.23 -0.11 -0.08 0.00 -0.31 0.00 0.00 62.40 62.13 1rw5 h SER 166 CO -0.21 0.35 0.53 0.00 -0.87 0.00 0.00 176.83 176.63 1rw5 h ALA 167 N 1.65 1.31 0.00 5.18 0.00 -0.20 -1.90 119.26 125.29 1rw5 h ALA 167 Ca 0.29 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 1rw5 h ALA 167 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1rw5 h ALA 167 CO -0.09 0.14 -1.98 0.66 0.00 0.00 0.00 179.25 177.97 1rw5 n TYR 168 N -4.70 0.00 -0.26 0.00 4.01 -0.49 -3.78 117.16 111.94 1rw5 n TYR 168 Ca 0.16 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.85 1rw5 n TYR 168 Cb 0.31 -0.61 0.06 0.00 -0.31 0.00 0.00 39.34 38.79 1rw5 n TYR 168 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rw5 h TYR 169 N 0.00 0.96 -0.45 -0.72 3.20 0.99 0.86 116.97 121.80 1rw5 h TYR 169 Ca -0.22 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.52 1rw5 h TYR 169 Cb 1.40 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 1rw5 h TYR 169 CO 0.00 0.64 -0.24 -0.91 -1.64 0.00 0.00 178.16 176.01 1rw5 h ASN 170 N 1.00 1.00 0.02 -2.11 2.35 -1.54 -2.53 115.58 113.76 1rw5 h ASN 170 Ca 0.26 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1rw5 h ASN 170 Cb -0.04 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1rw5 h ASN 170 CO -0.05 1.19 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.84 1rw5 h LEU 171 N 0.81 -0.02 -0.74 1.61 3.38 -1.48 -2.98 115.31 115.89 1rw5 h LEU 171 Ca 0.10 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.22 1rw5 h LEU 171 Cb 0.83 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 1rw5 h LEU 171 CO 0.07 0.15 0.23 -0.07 0.09 0.00 0.00 178.44 178.92 1rw5 h LEU 172 N -0.35 0.13 0.10 1.67 3.38 0.57 0.94 115.31 121.74 1rw5 h LEU 172 Ca -0.00 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1rw5 h LEU 172 Cb 0.02 0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1rw5 h LEU 172 CO 0.00 0.02 -0.05 -0.74 0.09 0.00 0.00 178.44 177.77 1rw5 h HIS 173 N 0.34 -0.12 0.00 1.13 2.76 -1.53 -2.27 115.15 115.46 1rw5 h HIS 173 Ca 0.42 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.52 1rw5 h HIS 173 Cb 0.68 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1rw5 h HIS 173 CO -0.22 0.10 -0.30 0.00 -1.30 0.00 0.00 177.93 176.21 1rw5 h LEU 175 N 0.00 0.89 0.35 0.00 6.46 0.13 0.16 115.31 123.30 1rw5 h LEU 175 Ca -0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1rw5 h LEU 175 Cb 0.54 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1rw5 h LEU 175 CO 0.04 0.56 -0.17 -0.09 -0.62 0.00 0.00 178.44 178.16 1rw5 h ARG 176 N 1.00 -0.45 -0.63 1.25 2.43 -0.73 -0.56 114.38 116.69 1rw5 h ARG 176 Ca 0.41 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.68 1rw5 h ARG 176 Cb 0.27 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.86 1rw5 h ARG 176 CO -0.16 -0.12 0.32 0.00 -1.51 0.00 0.00 179.97 178.49 1rw5 h ARG 177 N -0.90 0.56 -0.37 0.20 2.47 -1.19 -1.50 114.38 113.65 1rw5 h ARG 177 Ca -0.05 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.52 1rw5 h ARG 177 Cb 0.53 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1rw5 h ARG 177 CO 0.08 0.37 -0.24 -0.44 0.56 0.00 0.00 179.97 180.30 1rw5 h ASP 178 N 0.57 0.75 0.05 7.04 3.32 -0.72 -1.31 116.42 126.13 1rw5 h ASP 178 Ca 0.30 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1rw5 h ASP 178 Cb 0.25 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1rw5 h ASP 178 CO -0.22 0.97 -0.10 0.77 -1.72 0.00 0.00 179.24 178.94 1rw5 h SER 179 N 0.64 0.10 -0.06 6.45 4.64 -0.29 -0.11 113.55 124.93 1rw5 h SER 179 Ca 0.09 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.22 1rw5 h SER 179 Cb 0.74 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1rw5 h SER 179 CO 0.06 0.22 -0.63 -0.74 -0.87 0.00 0.00 176.83 174.87 1rw5 h HIS 180 N 0.11 0.75 -0.27 4.77 -0.00 -0.77 -1.76 115.15 117.98 1rw5 h HIS 180 Ca 0.02 -0.36 0.01 0.00 -0.00 0.00 0.00 60.37 60.04 1rw5 h HIS 180 Cb 0.24 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1rw5 h HIS 180 CO 0.00 1.17 0.16 0.87 -0.00 0.00 0.00 177.93 180.13 1rw5 h LYS 181 N 0.12 0.33 -0.95 5.26 1.57 -0.51 0.90 116.57 123.29 1rw5 h LYS 181 Ca -0.06 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1rw5 h LYS 181 Cb 1.29 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1rw5 h LYS 181 CO 0.13 0.22 0.62 0.82 -0.57 0.00 0.00 179.45 180.67 1rw5 h ILE 182 N 0.34 1.23 -0.51 1.86 2.04 -1.07 -1.36 117.51 120.03 1rw5 h ILE 182 Ca 0.10 -0.43 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 1rw5 h ILE 182 Cb -0.01 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 1rw5 h ILE 182 CO -0.04 0.23 -0.15 -0.78 0.00 0.00 0.00 178.15 177.41 1rw5 h ASP 183 N 1.26 0.98 -0.80 1.72 3.58 -0.33 -3.07 116.42 119.76 1rw5 h ASP 183 Ca 0.35 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1rw5 h ASP 183 Cb -0.12 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.63 1rw5 h ASP 183 CO -0.09 1.12 0.47 -1.13 -2.88 0.00 0.00 179.24 176.73 1rw5 h ASN 184 N 0.86 0.97 -0.65 2.28 -1.24 0.18 -2.83 115.58 115.15 1rw5 h ASN 184 Ca 0.13 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 1rw5 h ASN 184 Cb 0.71 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 1rw5 h ASN 184 CO 0.05 0.77 0.35 1.88 -1.29 0.00 0.00 177.43 179.19 1rw5 h TYR 185 N 1.10 0.90 -0.66 0.67 0.05 -1.21 -2.16 116.97 115.65 1rw5 h TYR 185 Ca 0.28 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 59.09 1rw5 h TYR 185 Cb -0.01 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.40 1rw5 h TYR 185 CO -0.00 0.65 0.44 -0.07 -1.05 0.00 0.00 178.16 178.13 1rw5 h LEU 186 N 0.89 0.62 -0.53 3.88 -0.00 -1.47 -1.27 115.31 117.44 1rw5 h LEU 186 Ca 0.23 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.08 1rw5 h LEU 186 Cb 0.05 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 1rw5 h LEU 186 CO -0.04 0.41 0.22 0.11 -0.00 0.00 0.00 178.44 179.15 1rw5 h LYS 187 N 0.71 0.79 -0.48 1.13 1.57 -1.27 -2.05 116.57 116.97 1rw5 h LYS 187 Ca 0.28 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1rw5 h LYS 187 Cb 0.20 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1rw5 h LYS 187 CO -0.08 0.68 0.24 -0.07 -0.57 0.00 0.00 179.45 179.65 1rw5 h LEU 188 N 0.72 0.61 -1.73 2.94 3.38 -1.04 -2.22 115.31 117.97 1rw5 h LEU 188 Ca 0.18 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1rw5 h LEU 188 Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1rw5 h LEU 188 CO -0.02 0.55 0.27 -0.07 0.09 0.00 0.00 178.44 179.27 1rw5 h LEU 189 N 0.63 0.29 -0.53 1.67 4.07 -0.95 -2.46 115.31 118.03 1rw5 h LEU 189 Ca 0.16 -0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.22 1rw5 h LEU 189 Cb 0.09 -0.06 -0.08 0.00 1.08 0.00 0.00 40.66 41.69 1rw5 h LEU 189 CO -0.02 0.20 0.08 0.11 -1.08 0.00 0.00 178.44 177.73 1rw5 h LYS 190 N 0.34 0.21 -0.10 1.13 1.79 -0.72 0.97 116.57 120.18 1rw5 h LYS 190 Ca 0.17 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.66 1rw5 h LYS 190 Cb 0.26 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1rw5 h LYS 190 CO -0.04 0.14 0.08 0.00 -1.08 0.00 0.00 179.45 178.55 1rw5 n ARG 192 N -4.23 0.50 0.08 0.00 1.74 -0.35 -3.30 116.66 111.10 1rw5 n ARG 192 Ca -0.01 -0.09 -0.18 0.00 -0.77 0.00 0.00 57.85 56.80 1rw5 n ARG 192 Cb 0.19 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 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 0.00 1.21 0.00 0.55 2.10 0.10 -3.40 117.51 118.07 1rw5 h ILE 193 Ca -0.02 -2.81 0.00 0.00 1.08 0.00 0.00 64.86 63.10 1rw5 h ILE 193 Cb 0.60 2.81 0.00 0.00 -1.09 0.00 0.00 36.82 39.14 1rw5 h ILE 193 CO 0.00 0.83 0.00 -0.38 -1.08 0.00 0.00 178.15 177.52 1rw5 n ILE 194 N -3.50 0.00 -3.26 2.19 5.41 -0.86 -4.99 119.36 114.36 1rw5 n ILE 194 Ca -0.16 -0.22 -0.17 0.00 1.00 0.00 0.00 62.75 63.21 1rw5 n ILE 194 Cb 1.05 1.55 0.06 0.00 -0.71 0.00 0.00 39.64 41.59 1rw5 n ILE 194 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1rw5 n HIS 195 N -0.00 -2.01 -4.19 1.39 -0.00 -0.88 -5.00 115.22 104.52 1rw5 n HIS 195 Ca 0.00 0.71 -0.35 0.00 -0.00 0.00 0.00 57.72 58.07 1rw5 n HIS 195 Cb 0.14 -3.81 -0.09 0.00 -0.00 0.00 0.00 29.99 26.23 1rw5 n HIS 195 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1rw5 s ASN 196 N -3.22 5.53 -0.77 0.26 2.47 -1.09 -4.96 114.94 113.15 1rw5 s ASN 196 Ca 0.41 0.18 -0.25 0.00 0.42 0.00 0.00 52.86 53.61 1rw5 s ASN 196 Cb -0.18 -1.72 -0.04 0.00 -1.45 0.00 0.00 41.25 37.86 1rw5 s ASN 196 CO 0.50 0.33 1.92 0.21 -3.72 0.00 0.00 177.10 176.34 1rw5 s ASN 197 N -0.55 5.18 -0.02 -4.21 3.84 -1.26 -3.52 114.94 114.40 1rw5 s ASN 197 Ca 0.10 -0.22 0.19 0.00 0.21 0.00 0.00 52.86 53.14 1rw5 s ASN 197 Cb -0.12 -2.55 0.33 0.00 -0.55 0.00 0.00 41.25 38.36 1rw5 s ASN 197 CO 0.02 -2.60 1.13 -3.20 -2.79 0.00 0.00 177.10 169.66 1rw5 n ASN 198 N 13.52 0.49 0.00 -4.21 2.85 -1.26 -5.05 115.26 121.60 1rw5 n ASN 198 Ca 0.32 -2.01 0.00 0.00 -0.11 0.00 0.00 54.58 52.78 1rw5 n ASN 198 Cb 0.49 -0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.37 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15