#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 4.15 0.22 1.47 0.04 -1.26 -4.92 135.00 134.70 1rw5 s PRO 2 Ca 0.00 2.51 -0.07 0.00 0.04 0.00 0.00 61.00 63.48 1rw5 s PRO 2 Cb 0.00 -2.99 0.17 0.00 0.04 0.00 0.00 34.50 31.72 1rw5 s PRO 2 CO 0.00 -0.48 1.76 0.82 0.04 0.00 0.00 177.00 179.13 1rw5 h ILE 3 N 3.02 1.26 -2.95 0.56 1.08 -2.02 -3.35 117.51 115.11 1rw5 h ILE 3 Ca -0.50 -0.90 -0.61 0.00 -0.39 0.00 0.00 64.86 62.45 1rw5 h ILE 3 Cb 1.24 0.47 -0.40 0.00 -3.07 0.00 0.00 36.82 35.05 1rw5 h ILE 3 CO 0.66 0.35 -0.72 0.00 -0.69 0.00 0.00 178.15 177.75 1rw5 n PRO 5 N 2.87 2.20 0.00 0.00 -0.02 -1.26 -4.62 135.00 134.18 1rw5 n PRO 5 Ca 0.16 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1rw5 n PRO 5 Cb 0.37 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rw5 n GLY 6 N 3.60 3.34 2.75 -1.23 0.00 -1.26 -3.55 105.19 108.84 1rw5 n GLY 6 Ca 0.18 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1rw5 n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rw5 s GLY 7 N 0.00 2.36 0.18 -0.02 0.00 -1.26 -5.09 107.32 103.49 1rw5 s GLY 7 Ca 0.00 -3.36 -0.31 0.00 0.00 0.00 0.00 44.72 41.06 1rw5 s GLY 7 CO 0.00 1.40 1.45 0.00 0.00 0.00 0.00 173.10 175.94 1rw5 s ALA 8 N -0.88 3.65 0.39 3.20 0.00 -1.23 -4.87 121.76 122.01 1rw5 s ALA 8 Ca 0.26 1.26 0.05 0.00 0.00 0.00 0.00 51.96 53.54 1rw5 s ALA 8 Cb -0.04 -3.56 0.78 0.00 0.00 0.00 0.00 23.12 20.29 1rw5 s ALA 8 CO -0.16 -0.69 2.04 0.00 0.00 0.00 0.00 175.76 176.95 1rw5 h ALA 9 N 6.03 1.65 -0.97 0.00 0.00 -1.98 0.93 119.26 124.92 1rw5 h ALA 9 Ca -0.44 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 1rw5 h ALA 9 Cb 1.21 -0.20 -0.30 0.00 0.00 0.00 0.00 17.79 18.50 1rw5 h ALA 9 CO 0.84 0.32 0.66 2.89 0.00 0.00 0.00 179.25 183.96 1rw5 n ARG 10 N -4.46 2.35 -0.30 0.00 1.85 -1.26 -4.63 116.66 110.20 1rw5 n ARG 10 Ca 0.05 -3.10 0.07 0.00 -1.00 0.00 0.00 57.85 53.87 1rw5 n ARG 10 Cb 0.06 -2.19 0.22 0.00 -1.05 0.00 0.00 32.46 29.50 1rw5 n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rw5 s GLN 12 N -5.97 1.66 0.02 0.00 -0.21 -1.26 -4.96 119.66 108.94 1rw5 s GLN 12 Ca -0.12 -0.69 0.05 0.00 0.02 0.00 0.00 55.36 54.62 1rw5 s GLN 12 Cb 0.21 -1.56 -0.02 0.00 1.00 0.00 0.00 33.01 32.65 1rw5 s GLN 12 CO 0.78 0.38 -0.15 0.08 -2.12 0.00 0.00 175.29 174.26 1rw5 s VAL 13 N -0.34 1.20 0.19 1.09 1.01 -1.26 -5.10 120.40 117.19 1rw5 s VAL 13 Ca 0.05 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1rw5 s VAL 13 Cb -0.09 -1.05 -0.10 0.00 0.00 0.00 0.00 36.38 35.15 1rw5 s VAL 13 CO 0.00 0.15 1.49 -0.89 0.00 0.00 0.00 175.10 175.85 1rw5 s THR 14 N -0.65 2.73 0.28 3.92 2.01 -1.26 -4.88 115.64 117.79 1rw5 s THR 14 Ca 0.04 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 1rw5 s THR 14 Cb -0.07 -3.36 0.28 0.00 0.01 0.00 0.00 72.50 69.36 1rw5 s THR 14 CO 0.01 0.06 1.88 0.25 -0.69 0.00 0.00 174.62 176.13 1rw5 h LEU 15 N 6.04 1.00 -0.16 4.42 5.85 -1.99 -2.51 115.31 127.96 1rw5 h LEU 15 Ca -0.44 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1rw5 h LEU 15 Cb 1.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1rw5 h LEU 15 CO 0.85 0.63 0.10 -0.09 -0.34 0.00 0.00 178.44 179.59 1rw5 h ARG 16 N 1.13 0.22 0.36 1.25 2.43 -1.94 -1.09 114.38 116.73 1rw5 h ARG 16 Ca 0.43 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1rw5 h ARG 16 Cb 0.21 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1rw5 h ARG 16 CO -0.18 0.19 -0.38 0.22 -1.51 0.00 0.00 179.97 178.31 1rw5 h ASP 17 N 0.19 -1.06 -0.60 -3.80 3.58 -1.83 0.16 116.42 113.05 1rw5 h ASP 17 Ca 0.06 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 1rw5 h ASP 17 Cb 0.02 0.35 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1rw5 h ASP 17 CO -0.01 -0.50 0.22 -0.07 -2.88 0.00 0.00 179.24 176.00 1rw5 h LEU 18 N -0.74 0.88 -0.53 2.28 4.07 -1.59 -1.98 115.31 117.70 1rw5 h LEU 18 Ca -0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1rw5 h LEU 18 Cb 0.65 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 1rw5 h LEU 18 CO -0.06 0.81 0.30 0.15 -1.08 0.00 0.00 178.44 178.57 1rw5 h PHE 19 N 0.93 0.71 -0.93 1.13 3.04 -1.00 0.20 116.94 121.02 1rw5 h PHE 19 Ca 0.21 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.16 1rw5 h PHE 19 Cb 0.23 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 38.47 1rw5 h PHE 19 CO 0.02 0.50 0.61 0.22 -2.02 0.00 0.00 178.31 177.64 1rw5 h ASP 20 N 0.70 1.07 -0.35 0.41 3.58 -0.25 0.75 116.42 122.34 1rw5 h ASP 20 Ca 0.19 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.48 1rw5 h ASP 20 Cb 0.02 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1rw5 h ASP 20 CO -0.03 0.78 -0.26 -0.09 -2.88 0.00 0.00 179.24 176.75 1rw5 h ARG 21 N 1.26 0.80 -0.35 0.28 2.43 -0.67 -2.71 114.38 115.43 1rw5 h ARG 21 Ca 0.34 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1rw5 h ARG 21 Cb -0.14 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1rw5 h ARG 21 CO -0.07 1.02 0.08 0.00 -1.51 0.00 0.00 179.97 179.49 1rw5 h ALA 22 N 0.76 1.50 -0.54 2.80 0.00 0.14 0.84 119.26 124.76 1rw5 h ALA 22 Ca 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1rw5 h ALA 22 Cb 0.83 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1rw5 h ALA 22 CO 0.07 0.37 0.02 0.28 0.00 0.00 0.00 179.25 180.00 1rw5 h VAL 23 N 0.50 1.26 0.19 0.00 2.07 -0.65 -1.95 116.25 117.67 1rw5 h VAL 23 Ca 0.12 -1.07 -0.31 0.00 0.82 0.00 0.00 66.70 66.26 1rw5 h VAL 23 Cb 0.19 0.89 0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1rw5 h VAL 23 CO -0.00 0.38 -1.41 0.58 0.02 0.00 0.00 177.57 177.14 1rw5 h VAL 24 N 0.81 1.34 -0.82 2.57 2.07 -1.11 -3.30 116.25 117.82 1rw5 h VAL 24 Ca 0.16 -2.85 0.03 0.00 0.82 0.00 0.00 66.70 64.86 1rw5 h VAL 24 Cb 0.50 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1rw5 h VAL 24 CO 0.02 0.85 0.54 0.25 0.02 0.00 0.00 177.57 179.25 1rw5 h LEU 25 N 0.11 0.88 -1.42 2.57 5.85 0.77 -1.34 115.31 122.73 1rw5 h LEU 25 Ca -0.21 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1rw5 h LEU 25 Cb 2.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 1rw5 h LEU 25 CO 0.24 0.61 0.17 0.28 -0.34 0.00 0.00 178.44 179.40 1rw5 h SER 26 N 1.03 0.51 0.16 1.25 0.02 -1.43 -2.03 113.55 113.06 1rw5 h SER 26 Ca 0.32 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 61.09 1rw5 h SER 26 Cb 0.01 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1rw5 h SER 26 CO -0.09 0.45 -0.51 -0.74 -1.14 0.00 0.00 176.83 174.80 1rw5 h HIS 27 N 0.56 0.48 -0.48 3.45 -0.00 -1.35 -3.09 115.15 114.72 1rw5 h HIS 27 Ca 0.14 -0.16 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1rw5 h HIS 27 Cb 0.10 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.38 1rw5 h HIS 27 CO 0.00 0.82 0.25 -0.92 -0.00 0.00 0.00 177.93 178.09 1rw5 h TYR 28 N 0.31 0.46 -0.17 5.26 3.20 -1.04 -0.37 116.97 124.61 1rw5 h TYR 28 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1rw5 h TYR 28 Cb 1.00 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1rw5 h TYR 28 CO 0.03 0.24 0.10 0.82 -1.64 0.00 0.00 178.16 177.70 1rw5 h ILE 29 N 0.49 1.06 -0.37 1.81 2.04 -1.46 -1.13 117.51 119.96 1rw5 h ILE 29 Ca 0.21 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1rw5 h ILE 29 Cb 0.10 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1rw5 h ILE 29 CO -0.14 0.06 0.24 -0.74 0.00 0.00 0.00 178.15 177.57 1rw5 h HIS 30 N 0.24 0.46 -0.55 1.37 2.76 -1.01 0.35 115.15 118.76 1rw5 h HIS 30 Ca 0.06 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1rw5 h HIS 30 Cb 0.00 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1rw5 h HIS 30 CO 0.00 0.29 0.09 -0.91 -1.30 0.00 0.00 177.93 176.09 1rw5 h ASN 31 N 0.49 0.88 -0.13 3.26 2.35 -0.94 0.42 115.58 121.91 1rw5 h ASN 31 Ca 0.13 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1rw5 h ASN 31 Cb -0.05 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1rw5 h ASN 31 CO -0.03 0.92 0.08 -0.07 -1.65 0.00 0.00 177.43 176.68 1rw5 h LEU 32 N 0.80 0.15 -0.85 1.61 3.38 -0.55 0.18 115.31 120.04 1rw5 h LEU 32 Ca 0.17 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1rw5 h LEU 32 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1rw5 h LEU 32 CO 0.01 0.14 -0.30 0.77 0.09 0.00 0.00 178.44 179.15 1rw5 h SER 33 N 0.16 0.52 0.32 -0.43 4.64 -0.16 0.59 113.55 119.19 1rw5 h SER 33 Ca 0.05 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1rw5 h SER 33 Cb 0.01 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1rw5 h SER 33 CO -0.01 0.80 -0.15 0.77 -0.87 0.00 0.00 176.83 177.36 1rw5 h SER 34 N 0.44 -0.36 0.04 4.97 4.64 0.39 -2.48 113.55 121.19 1rw5 h SER 34 Ca 0.06 -0.18 -0.22 0.00 -0.47 0.00 0.00 61.79 60.98 1rw5 h SER 34 Cb 0.74 0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1rw5 h SER 34 CO 0.06 0.04 -0.88 -0.33 -0.87 0.00 0.00 176.83 174.85 1rw5 h GLU 35 N -0.84 0.52 -0.57 4.77 5.08 -0.71 -1.86 114.58 120.98 1rw5 h GLU 35 Ca -0.04 -0.62 0.04 0.00 -1.00 0.00 0.00 59.36 57.74 1rw5 h GLU 35 Cb 0.52 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1rw5 h GLU 35 CO 0.07 1.24 0.32 1.98 -1.00 0.00 0.00 179.01 181.62 1rw5 h MET 36 N 0.08 0.61 -0.22 2.33 4.05 -1.00 1.00 114.93 121.78 1rw5 h MET 36 Ca -0.12 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.18 1rw5 h MET 36 Cb 1.58 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 32.24 1rw5 h MET 36 CO 0.17 0.40 -0.18 0.35 0.23 0.00 0.00 176.91 177.89 1rw5 h PHE 37 N 0.63 0.60 -0.99 1.39 3.57 -1.51 -2.71 116.94 117.92 1rw5 h PHE 37 Ca 0.24 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1rw5 h PHE 37 Cb 0.09 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1rw5 h PHE 37 CO -0.08 0.83 0.65 0.77 -2.23 0.00 0.00 178.31 178.25 1rw5 h SER 38 N 0.20 1.09 -0.68 0.41 0.02 -0.88 0.88 113.55 114.60 1rw5 h SER 38 Ca 0.04 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1rw5 h SER 38 Cb 0.71 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1rw5 h SER 38 CO 0.05 0.76 0.29 -0.33 -1.14 0.00 0.00 176.83 176.45 1rw5 h GLU 39 N 1.27 1.02 0.08 3.45 5.08 -0.74 -0.83 114.58 123.91 1rw5 h GLU 39 Ca 0.39 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1rw5 h GLU 39 Cb -0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1rw5 h GLU 39 CO -0.11 0.83 -0.04 0.35 -1.00 0.00 0.00 179.01 179.04 1rw5 h PHE 40 N 1.01 -0.10 -1.00 4.33 3.57 -0.84 -2.53 116.94 121.37 1rw5 h PHE 40 Ca 0.24 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.96 1rw5 h PHE 40 Cb 0.18 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.85 1rw5 h PHE 40 CO 0.02 0.46 0.62 0.22 -2.23 0.00 0.00 178.31 177.40 1rw5 h ASP 41 N -0.80 0.62 -0.27 0.41 3.58 0.89 0.39 116.42 121.22 1rw5 h ASP 41 Ca -0.01 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1rw5 h ASP 41 Cb 0.60 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1rw5 h ASP 41 CO 0.02 0.17 0.00 0.29 -2.88 0.00 0.00 179.24 176.84 1rw5 n LYS 42 N -4.72 2.01 -0.02 0.28 4.01 -0.33 -0.95 118.16 118.44 1rw5 n LYS 42 Ca 0.24 -1.53 -0.05 0.00 -0.51 0.00 0.00 58.31 56.46 1rw5 n LYS 42 Cb 0.72 -1.42 -0.02 0.00 -0.51 0.00 0.00 35.03 33.80 1rw5 n LYS 42 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1rw5 n ARG 43 N 0.75 0.25 0.01 1.97 0.63 0.12 -4.37 116.66 116.02 1rw5 n ARG 43 Ca 0.17 0.10 0.03 0.00 -0.92 0.00 0.00 57.85 57.22 1rw5 n ARG 43 Cb 0.42 -0.94 -0.11 0.00 0.45 0.00 0.00 32.46 32.29 1rw5 n ARG 43 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1rw5 n TYR 44 N -3.91 0.57 -1.32 -0.14 4.02 -0.50 -4.32 117.16 111.56 1rw5 n TYR 44 Ca -0.09 0.18 0.07 0.00 -0.01 0.00 0.00 57.90 58.06 1rw5 n TYR 44 Cb 0.29 -0.91 0.18 0.00 -0.02 0.00 0.00 39.34 38.88 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 -2.68 2.08 -1.68 -0.72 -2.24 -1.20 -4.82 114.28 103.02 1rw5 n THR 45 Ca -0.11 -2.70 -0.16 0.00 -2.27 0.00 0.00 64.05 58.80 1rw5 n THR 45 Cb 0.79 -0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.05 1.30 -1.03 4.78 5.04 -0.12 -2.52 115.29 119.68 1rw5 s HIS 46 Ca 0.36 1.73 -0.02 0.00 -1.54 0.00 0.00 55.06 55.59 1rw5 s HIS 46 Cb 0.33 -3.56 0.00 0.00 0.04 0.00 0.00 32.58 29.39 1rw5 s HIS 46 CO -0.01 -1.48 0.20 0.41 -2.34 0.00 0.00 174.74 171.51 1rw5 n GLY 47 N 6.72 -0.11 0.37 1.59 0.00 -1.26 -4.88 105.19 107.61 1rw5 n GLY 47 Ca 0.45 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.46 0.88 0.00 1.61 9.65 -1.81 -3.46 114.38 120.79 1rw5 h ARG 48 Ca -0.32 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1rw5 h ARG 48 Cb 1.23 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 1rw5 h ARG 48 CO 0.36 0.58 0.00 0.41 2.80 0.00 0.00 179.97 184.12 1rw5 n GLY 49 N -1.40 3.02 0.15 2.80 0.00 -1.26 -4.85 105.19 103.65 1rw5 n GLY 49 Ca 0.15 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 0.57 -2.40 1.61 -0.00 -1.98 -3.43 116.94 111.32 1rw5 h PHE 50 Ca 0.00 -0.31 -0.55 0.00 -0.00 0.00 0.00 57.97 57.11 1rw5 h PHE 50 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 35.95 35.89 1rw5 h PHE 50 CO 0.00 1.13 1.24 0.96 -0.00 0.00 0.00 178.31 181.64 1rw5 s ILE 51 N -3.26 3.22 0.21 0.88 -4.36 -1.26 -4.95 121.20 111.68 1rw5 s ILE 51 Ca -0.05 0.26 0.01 0.00 -0.26 0.00 0.00 60.65 60.60 1rw5 s ILE 51 Cb 0.09 -3.20 -0.05 0.00 1.25 0.00 0.00 42.46 40.55 1rw5 s ILE 51 CO 0.86 -0.06 0.07 0.28 0.24 0.00 0.00 174.94 176.34 1rw5 s THR 52 N 5.27 0.45 0.28 8.37 -1.32 -1.26 -4.98 115.64 122.44 1rw5 s THR 52 Ca 0.86 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 1rw5 s THR 52 Cb -0.36 -2.43 0.12 0.00 -1.51 0.00 0.00 72.50 68.32 1rw5 s THR 52 CO 0.36 -0.16 1.78 0.11 -2.21 0.00 0.00 174.62 174.50 1rw5 h LYS 53 N 2.55 0.68 -5.70 7.08 1.57 -2.00 -3.37 116.57 117.38 1rw5 h LYS 53 Ca -0.37 -0.18 -0.36 0.00 -1.87 0.00 0.00 60.65 57.87 1rw5 h LYS 53 Cb 1.23 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1rw5 h LYS 53 CO 0.60 0.72 0.99 0.00 -0.57 0.00 0.00 179.45 181.19 1rw5 s ALA 54 N -4.92 1.90 0.07 3.86 0.00 -1.26 -4.89 121.76 116.51 1rw5 s ALA 54 Ca -0.09 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.02 1rw5 s ALA 54 Cb 0.15 -4.59 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 1rw5 s ALA 54 CO 0.80 -4.73 -0.01 0.42 0.00 0.00 0.00 175.76 172.24 1rw5 s ILE 55 N 9.50 0.19 -0.60 0.00 1.01 -1.26 -5.10 121.20 124.95 1rw5 s ILE 55 Ca 0.66 -1.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.21 1rw5 s ILE 55 Cb -0.04 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.83 1rw5 s ILE 55 CO 0.03 -0.88 1.15 0.21 0.00 0.00 0.00 174.94 175.45 1rw5 s ASN 56 N -2.95 6.38 0.40 3.58 2.47 -1.26 -5.01 114.94 118.56 1rw5 s ASN 56 Ca 0.11 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.30 1rw5 s ASN 56 Cb 0.08 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1rw5 s ASN 56 CO -0.07 -1.48 0.00 -1.54 -3.72 0.00 0.00 177.10 170.28 1rw5 n SER 57 N 8.36 -0.34 -4.88 -4.21 3.41 -1.26 -4.94 113.62 109.76 1rw5 n SER 57 Ca 0.06 -0.23 -0.27 0.00 -0.26 0.00 0.00 58.87 58.17 1rw5 n SER 57 Cb 0.49 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rw5 n HIS 59 N -3.03 0.02 0.09 0.00 -0.00 -1.26 -4.24 115.22 106.79 1rw5 n HIS 59 Ca 0.08 -0.01 0.13 0.00 -0.00 0.00 0.00 57.72 57.92 1rw5 n HIS 59 Cb 0.61 0.00 0.61 0.00 -0.00 0.00 0.00 29.99 31.21 1rw5 n HIS 59 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1rw5 h THR 60 N 3.53 0.90 -0.43 1.59 1.35 -1.97 0.20 112.91 118.07 1rw5 h THR 60 Ca 0.00 -0.04 0.13 0.00 -0.55 0.00 0.00 66.41 65.94 1rw5 h THR 60 Cb 0.75 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 1rw5 h THR 60 CO 0.00 0.02 0.34 -1.28 -0.25 0.00 0.00 175.52 174.35 1rw5 h SER 61 N 0.12 0.00 -0.11 5.36 0.87 -2.01 0.15 113.55 117.94 1rw5 h SER 61 Ca 0.15 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1rw5 h SER 61 Cb 0.44 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1rw5 h SER 61 CO -0.02 0.00 0.23 0.77 -0.53 0.00 0.00 176.83 177.28 1rw5 h SER 62 N 0.00 0.00 -2.49 6.23 4.64 -0.91 -3.43 113.55 117.59 1rw5 h SER 62 Ca 0.20 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.24 1rw5 h SER 62 Cb 0.89 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.14 1rw5 h SER 62 CO -0.00 0.00 -0.14 0.18 -0.87 0.00 0.00 176.83 176.00 1rw5 n LEU 63 N -3.36 0.00 -2.06 5.97 7.99 0.52 -4.84 117.00 121.22 1rw5 n LEU 63 Ca 0.00 -0.68 -0.23 0.00 -0.01 0.00 0.00 56.01 55.09 1rw5 n LEU 63 Cb 0.32 -0.86 0.11 0.00 -0.11 0.00 0.00 43.42 42.88 1rw5 n LEU 63 CO 0.21 -2.64 1.23 0.00 -1.51 0.00 0.00 177.39 174.68 1rw5 n ALA 64 N -5.19 5.34 -1.51 -1.18 0.00 -1.26 -4.99 120.51 111.72 1rw5 n ALA 64 Ca -0.15 -2.51 -0.37 0.00 0.00 0.00 0.00 53.44 50.41 1rw5 n ALA 64 Cb 0.47 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.68 3.34 -2.08 0.00 -2.24 -1.26 -4.87 114.28 106.49 1rw5 n THR 65 Ca 0.49 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 1rw5 n THR 65 Cb 1.14 -1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1rw5 n THR 65 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1rw5 s PRO 66 N -2.96 4.24 0.30 -0.78 0.04 -1.26 -4.90 135.00 129.68 1rw5 s PRO 66 Ca 0.75 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.93 1rw5 s PRO 66 Cb -0.39 -3.63 0.49 0.00 0.04 0.00 0.00 34.50 31.02 1rw5 s PRO 66 CO 0.48 -0.67 1.85 1.49 0.04 0.00 0.00 177.00 180.19 1rw5 h GLU 67 N 8.20 0.70 -3.19 4.56 4.81 -1.91 -3.47 114.58 124.28 1rw5 h GLU 67 Ca -0.40 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 58.61 1rw5 h GLU 67 Cb 1.19 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1rw5 h GLU 67 CO 0.92 0.66 0.20 0.16 -0.73 0.00 0.00 179.01 180.22 1rw5 s ASP 68 N -6.65 0.21 0.31 1.04 1.47 -1.26 -4.99 116.67 106.80 1rw5 s ASP 68 Ca -0.09 -1.26 0.01 0.00 1.18 0.00 0.00 52.55 52.38 1rw5 s ASP 68 Cb 0.15 0.84 0.53 0.00 -0.34 0.00 0.00 42.92 44.10 1rw5 s ASP 68 CO 0.79 -1.66 1.94 0.11 0.68 0.00 0.00 175.17 177.02 1rw5 h LYS 69 N 2.01 0.99 -0.72 2.11 1.57 -2.00 -1.55 116.57 118.98 1rw5 h LYS 69 Ca -0.33 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.35 1rw5 h LYS 69 Cb 1.25 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 1rw5 h LYS 69 CO 0.42 0.65 0.27 0.93 -0.57 0.00 0.00 179.45 181.15 1rw5 h GLU 70 N 1.01 1.08 -0.48 3.15 5.08 -1.99 -2.29 114.58 120.15 1rw5 h GLU 70 Ca 0.34 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1rw5 h GLU 70 Cb 0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1rw5 h GLU 70 CO -0.11 0.90 0.00 0.37 -1.00 0.00 0.00 179.01 179.17 1rw5 h GLN 71 N 1.03 0.79 -0.56 2.33 5.75 -1.71 -2.05 115.11 120.70 1rw5 h GLN 71 Ca 0.24 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1rw5 h GLN 71 Cb 0.24 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 1rw5 h GLN 71 CO -0.02 0.79 0.31 0.00 -2.65 0.00 0.00 178.83 177.27 1rw5 h ALA 72 N 1.26 0.72 -0.92 3.38 0.00 -0.77 0.54 119.26 123.47 1rw5 h ALA 72 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rw5 h ALA 72 Cb 0.45 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1rw5 h ALA 72 CO 0.02 0.00 0.59 0.37 0.00 0.00 0.00 179.25 180.23 1rw5 h GLN 73 N 0.61 1.23 -0.13 0.00 4.15 -1.07 0.27 115.11 120.18 1rw5 h GLN 73 Ca 0.24 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 1rw5 h GLN 73 Cb 0.09 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1rw5 h GLN 73 CO -0.13 0.84 -0.16 1.96 -1.93 0.00 0.00 178.83 179.41 1rw5 h GLN 74 N 1.26 0.20 -6.74 1.69 4.20 -0.17 -3.42 115.11 112.14 1rw5 h GLN 74 Ca 0.34 -0.05 -0.49 0.00 0.06 0.00 0.00 58.65 58.50 1rw5 h GLN 74 Cb -0.10 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1rw5 h GLN 74 CO -0.07 0.37 0.22 -1.64 -0.67 0.00 0.00 178.83 177.05 1rw5 s MET 75 N -4.66 4.39 0.70 1.46 -1.94 0.17 -5.04 119.30 114.38 1rw5 s MET 75 Ca -0.05 1.08 -0.13 0.00 -1.71 0.00 0.00 55.69 54.88 1rw5 s MET 75 Cb 0.15 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 34.22 1rw5 s MET 75 CO 0.73 0.31 1.09 -0.80 -0.01 0.00 0.00 175.02 176.34 1rw5 s ASN 76 N -1.69 5.02 0.25 3.03 0.01 -1.26 -4.89 114.94 115.41 1rw5 s ASN 76 Ca 0.48 1.84 -0.05 0.00 -0.71 0.00 0.00 52.86 54.42 1rw5 s ASN 76 Cb -0.17 -2.53 0.30 0.00 0.41 0.00 0.00 41.25 39.26 1rw5 s ASN 76 CO 0.22 -1.69 1.92 1.56 -1.51 0.00 0.00 177.10 177.59 1rw5 h GLN 77 N -0.48 1.27 -0.58 -0.60 4.20 -1.94 -1.43 115.11 115.56 1rw5 h GLN 77 Ca -0.45 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.17 1rw5 h GLN 77 Cb 1.23 -0.29 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 1rw5 h GLN 77 CO 0.54 0.84 0.30 -0.22 -0.67 0.00 0.00 178.83 179.62 1rw5 h LYS 78 N 1.31 0.80 -0.98 1.46 3.64 -1.98 -1.87 116.57 118.95 1rw5 h LYS 78 Ca 0.38 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 1rw5 h LYS 78 Cb -0.07 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.51 1rw5 h LYS 78 CO -0.10 0.60 0.62 -0.44 -2.27 0.00 0.00 179.45 177.86 1rw5 h ASP 79 N 0.80 0.94 -0.23 4.20 3.32 -1.61 0.30 116.42 124.14 1rw5 h ASP 79 Ca 0.20 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1rw5 h ASP 79 Cb 0.05 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1rw5 h ASP 79 CO -0.03 0.54 0.15 -0.26 -1.72 0.00 0.00 179.24 177.92 1rw5 h PHE 80 N 1.03 0.28 -0.58 4.55 -1.00 -1.27 0.20 116.94 120.15 1rw5 h PHE 80 Ca 0.46 0.01 -0.09 0.00 2.81 0.00 0.00 57.97 61.16 1rw5 h PHE 80 Cb 0.36 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1rw5 h PHE 80 CO -0.01 0.17 0.01 -0.07 -1.61 0.00 0.00 178.31 176.80 1rw5 h LEU 81 N 0.30 1.00 -0.66 1.54 4.07 -1.09 -2.25 115.31 118.23 1rw5 h LEU 81 Ca 0.08 -0.30 -0.11 0.00 0.08 0.00 0.00 57.88 57.63 1rw5 h LEU 81 Cb -0.03 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.42 1rw5 h LEU 81 CO -0.02 1.06 -0.10 0.28 -1.08 0.00 0.00 178.44 178.58 1rw5 h SER 82 N 0.92 0.94 -0.48 -0.43 0.02 -0.09 -3.05 113.55 111.38 1rw5 h SER 82 Ca 0.17 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1rw5 h SER 82 Cb 0.54 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1rw5 h SER 82 CO 0.03 1.05 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.61 1rw5 h LEU 83 N 0.85 0.94 -0.24 5.07 3.38 -0.44 -3.02 115.31 121.86 1rw5 h LEU 83 Ca 0.14 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1rw5 h LEU 83 Cb 0.63 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1rw5 h LEU 83 CO 0.04 1.05 0.07 0.40 0.09 0.00 0.00 178.44 180.09 1rw5 h ILE 84 N 0.85 0.92 -0.66 1.22 2.04 -1.30 -2.13 117.51 118.46 1rw5 h ILE 84 Ca 0.14 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1rw5 h ILE 84 Cb 0.62 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1rw5 h ILE 84 CO 0.04 0.03 0.34 -0.37 0.00 0.00 0.00 178.15 178.19 1rw5 h VAL 85 N 0.18 1.21 -0.57 1.67 -1.51 -1.52 -1.74 116.25 113.97 1rw5 h VAL 85 Ca 0.11 -0.55 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 1rw5 h VAL 85 Cb 0.08 0.33 -0.03 0.00 -2.13 0.00 0.00 31.29 29.55 1rw5 h VAL 85 CO -0.12 0.24 0.29 0.28 -1.23 0.00 0.00 177.57 177.02 1rw5 h SER 86 N 0.93 0.73 0.57 4.19 0.02 -1.30 -0.01 113.55 118.68 1rw5 h SER 86 Ca 0.23 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1rw5 h SER 86 Cb 0.06 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.42 1rw5 h SER 86 CO -0.03 0.64 -0.28 0.40 -1.14 0.00 0.00 176.83 176.42 1rw5 h ILE 87 N 0.77 0.15 -0.74 3.27 2.04 -0.92 -2.11 117.51 119.96 1rw5 h ILE 87 Ca 0.20 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1rw5 h ILE 87 Cb 0.09 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1rw5 h ILE 87 CO -0.03 0.03 0.47 -0.07 0.00 0.00 0.00 178.15 178.55 1rw5 h LEU 88 N -1.14 0.86 -0.72 1.44 3.38 -1.35 -2.50 115.31 115.29 1rw5 h LEU 88 Ca -0.08 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1rw5 h LEU 88 Cb 0.63 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1rw5 h LEU 88 CO 0.13 0.64 -0.00 -0.09 0.09 0.00 0.00 178.44 179.21 1rw5 h ARG 89 N 1.00 0.98 0.00 1.13 2.43 -1.07 -2.46 114.38 116.38 1rw5 h ARG 89 Ca 0.27 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1rw5 h ARG 89 Cb -0.09 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1rw5 h ARG 89 CO -0.06 0.96 -0.08 0.66 -1.51 0.00 0.00 179.97 179.95 1rw5 h SER 90 N 0.90 0.00 1.13 -3.80 4.64 -1.02 -2.61 113.55 112.79 1rw5 h SER 90 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1rw5 h SER 90 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1rw5 h SER 90 CO 0.03 0.08 -0.44 -0.50 -0.87 0.00 0.00 176.83 175.13 1rw5 h TRP 91 N 0.00 0.00 -0.86 4.77 4.06 -1.01 -3.34 115.95 119.56 1rw5 h TRP 91 Ca -0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 1rw5 h TRP 91 Cb 0.37 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.48 1rw5 h TRP 91 CO 0.00 0.00 0.57 -0.97 -3.56 0.00 0.00 178.44 174.48 1rw5 h ASN 92 N 0.00 0.89 0.26 -3.49 -1.24 -1.38 -2.39 115.58 108.23 1rw5 h ASN 92 Ca 0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1rw5 h ASN 92 Cb 0.78 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.64 1rw5 h ASN 92 CO 0.00 0.60 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.53 1rw5 h GLU 93 N 1.03 -0.33 -0.84 6.67 4.81 -1.75 -3.01 114.58 121.16 1rw5 h GLU 93 Ca 0.36 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 59.81 1rw5 h GLU 93 Cb 0.11 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 29.44 1rw5 h GLU 93 CO -0.12 -0.11 0.24 -1.35 -0.73 0.00 0.00 179.01 176.95 1rw5 h PRO 94 N -1.04 0.26 -0.20 0.92 0.11 -1.72 0.23 132.00 130.56 1rw5 h PRO 94 Ca -0.04 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1rw5 h PRO 94 Cb 0.38 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1rw5 h PRO 94 CO 0.06 0.17 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.71 1rw5 h LEU 95 N 0.27 0.37 -0.47 2.35 3.38 -1.54 -1.24 115.31 118.42 1rw5 h LEU 95 Ca 0.51 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.43 1rw5 h LEU 95 Cb 0.96 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 1rw5 h LEU 95 CO -0.58 0.62 0.14 0.22 0.09 0.00 0.00 178.44 178.92 1rw5 h TYR 96 N 0.33 0.25 0.17 1.13 3.20 -0.39 0.16 116.97 121.81 1rw5 h TYR 96 Ca 0.05 0.03 -0.31 0.00 3.14 0.00 0.00 58.73 61.64 1rw5 h TYR 96 Cb 0.61 -0.04 0.03 0.00 1.54 0.00 0.00 36.73 38.87 1rw5 h TYR 96 CO 0.02 0.07 -1.33 0.45 -1.64 0.00 0.00 178.16 175.73 1rw5 h HIS 97 N 0.30 0.88 -0.54 -3.82 3.86 -1.40 -1.65 115.15 112.78 1rw5 h HIS 97 Ca 0.23 -0.60 0.06 0.00 -1.16 0.00 0.00 60.37 58.90 1rw5 h HIS 97 Cb 0.25 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.62 1rw5 h HIS 97 CO -0.18 1.45 0.24 1.25 0.86 0.00 0.00 177.93 181.56 1rw5 h LEU 98 N 0.18 0.31 -0.07 2.43 5.85 -0.79 0.30 115.31 123.51 1rw5 h LEU 98 Ca -0.20 0.05 -0.25 0.00 0.84 0.00 0.00 57.88 58.32 1rw5 h LEU 98 Cb 2.01 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 43.05 1rw5 h LEU 98 CO 0.24 0.21 -0.97 1.62 -0.34 0.00 0.00 178.44 179.20 1rw5 h VAL 99 N 0.46 1.30 -0.45 1.05 3.04 -0.76 -2.79 116.25 118.10 1rw5 h VAL 99 Ca 0.25 -2.23 -0.12 0.00 -1.01 0.00 0.00 66.70 63.60 1rw5 h VAL 99 Cb 0.21 2.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.78 1rw5 h VAL 99 CO -0.21 0.69 -0.18 0.00 -1.01 0.00 0.00 177.57 176.86 1rw5 h THR 100 N 0.39 1.27 -0.44 3.17 1.03 -0.84 -2.46 112.91 115.03 1rw5 h THR 100 Ca -0.10 -1.31 -0.14 0.00 -0.01 0.00 0.00 66.41 64.84 1rw5 h THR 100 Cb 1.61 1.12 -0.01 0.00 -1.07 0.00 0.00 68.15 69.80 1rw5 h THR 100 CO 0.19 0.45 -0.28 -0.33 -0.01 0.00 0.00 175.52 175.53 1rw5 h GLU 101 N 0.77 0.97 -0.58 0.00 4.39 -0.48 -2.95 114.58 116.69 1rw5 h GLU 101 Ca 0.11 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 1rw5 h GLU 101 Cb 0.72 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 1rw5 h GLU 101 CO 0.06 1.12 0.29 0.28 -1.16 0.00 0.00 179.01 179.60 1rw5 h VAL 102 N 0.81 1.19 -0.88 3.13 2.07 -1.36 -2.08 116.25 119.12 1rw5 h VAL 102 Ca 0.09 -0.50 0.14 0.00 0.82 0.00 0.00 66.70 67.25 1rw5 h VAL 102 Cb 0.87 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 1rw5 h VAL 102 CO 0.08 0.21 0.57 -0.09 0.02 0.00 0.00 177.57 178.36 1rw5 h ARG 103 N 0.81 0.67 -0.15 1.57 2.43 -1.26 0.26 114.38 118.71 1rw5 h ARG 103 Ca 0.20 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1rw5 h ARG 103 Cb 0.06 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1rw5 h ARG 103 CO -0.03 0.45 0.00 0.41 -1.51 0.00 0.00 179.97 179.29 1rw5 n GLY 104 N -1.43 -0.01 3.55 2.80 0.00 -0.79 -4.79 105.19 104.51 1rw5 n GLY 104 Ca 0.17 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.81 3.47 0.22 1.61 -2.45 0.90 -4.91 119.30 116.33 1rw5 s MET 105 Ca 0.28 -0.06 -0.08 0.00 -1.25 0.00 0.00 55.69 54.58 1rw5 s MET 105 Cb 0.15 -3.91 0.18 0.00 1.25 0.00 0.00 34.83 32.49 1rw5 s MET 105 CO 0.22 -1.03 1.83 1.96 1.05 0.00 0.00 175.02 179.05 1rw5 h GLN 106 N 8.85 1.18 0.00 4.11 4.20 -1.86 -0.33 115.11 131.25 1rw5 h GLN 106 Ca -0.25 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 1rw5 h GLN 106 Cb 1.09 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1rw5 h GLN 106 CO 0.93 0.89 -0.34 0.93 -0.67 0.00 0.00 178.83 180.57 1rw5 h GLU 107 N 1.17 0.00 -2.14 1.46 5.08 -1.95 -3.32 114.58 114.89 1rw5 h GLU 107 Ca 0.29 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.07 1rw5 h GLU 107 Cb 0.07 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.91 1rw5 h GLU 107 CO -0.04 0.34 -0.88 0.00 -1.00 0.00 0.00 179.01 177.43 1rw5 n ALA 108 N -2.38 3.13 -0.07 3.43 0.00 -0.57 -4.93 120.51 119.13 1rw5 n ALA 108 Ca -0.01 -3.96 -0.06 0.00 0.00 0.00 0.00 53.44 49.41 1rw5 n ALA 108 Cb 0.42 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 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 4.22 0.00 0.00 0.00 0.13 -1.21 -3.39 132.00 131.76 1rw5 h PRO 109 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1rw5 h PRO 109 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1rw5 h PRO 109 CO 0.61 0.24 -1.25 -1.91 -0.23 0.00 0.00 178.00 175.46 1rw5 n GLU 110 N -4.66 1.15 0.00 0.86 2.13 -1.26 -4.21 120.64 114.65 1rw5 n GLU 110 Ca -0.08 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1rw5 n GLU 110 Cb 0.24 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.83 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rw5 n ALA 111 N -1.83 -0.42 0.11 4.31 0.00 -1.26 -0.70 120.51 120.72 1rw5 n ALA 111 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1rw5 n ALA 111 Cb 0.30 0.03 0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 1.45 -0.35 0.00 2.04 -1.87 -3.07 117.51 115.70 1rw5 h ILE 112 Ca 0.00 -2.21 -0.03 0.00 1.00 0.00 0.00 64.86 63.62 1rw5 h ILE 112 Cb 0.00 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1rw5 h ILE 112 CO 0.00 0.64 0.10 0.25 0.00 0.00 0.00 178.15 179.14 1rw5 h LEU 113 N 0.06 0.46 -0.44 1.44 6.46 -1.73 -1.16 115.31 120.41 1rw5 h LEU 113 Ca -0.01 -0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.77 1rw5 h LEU 113 Cb 1.18 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.92 1rw5 h LEU 113 CO 0.09 0.46 0.05 -1.28 -0.62 0.00 0.00 178.44 177.14 1rw5 h SER 114 N 0.50 -0.08 0.92 1.25 0.87 -0.81 0.20 113.55 116.40 1rw5 h SER 114 Ca 0.12 0.09 -0.22 0.00 -1.23 0.00 0.00 61.79 60.55 1rw5 h SER 114 Cb 0.17 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1rw5 h SER 114 CO -0.01 -0.01 -1.12 0.11 -0.53 0.00 0.00 176.83 175.27 1rw5 h LYS 115 N 0.17 0.00 -0.37 2.24 1.57 -1.66 -3.19 116.57 115.33 1rw5 h LYS 115 Ca 0.22 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 1rw5 h LYS 115 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1rw5 h LYS 115 CO -0.32 0.89 -0.27 0.00 -0.57 0.00 0.00 179.45 179.18 1rw5 h ALA 116 N 1.02 0.82 -0.24 3.86 0.00 -0.57 0.28 119.26 124.42 1rw5 h ALA 116 Ca -0.06 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1rw5 h ALA 116 Cb 1.80 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1rw5 h ALA 116 CO 0.12 0.64 -0.59 -0.24 0.00 0.00 0.00 179.25 179.18 1rw5 h VAL 117 N 0.67 1.29 0.00 0.00 3.04 -0.71 -3.17 116.25 117.36 1rw5 h VAL 117 Ca 0.08 -1.79 -0.16 0.00 -1.01 0.00 0.00 66.70 63.82 1rw5 h VAL 117 Cb 0.79 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 1rw5 h VAL 117 CO 0.07 0.58 -0.85 1.05 -1.01 0.00 0.00 177.57 177.40 1rw5 h GLU 118 N 0.60 0.00 -0.45 4.17 4.11 -1.52 -3.22 114.58 118.27 1rw5 h GLU 118 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.35 1rw5 h GLU 118 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1rw5 h GLU 118 CO 0.12 0.69 -0.07 0.97 0.07 0.00 0.00 179.01 180.79 1rw5 h ILE 119 N 0.00 1.25 -0.08 -1.06 2.10 -0.47 -0.99 117.51 118.26 1rw5 h ILE 119 Ca -0.04 -1.10 -0.11 0.00 1.08 0.00 0.00 64.86 64.69 1rw5 h ILE 119 Cb 1.60 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 38.30 1rw5 h ILE 119 CO 0.09 0.38 -0.43 -0.08 -1.08 0.00 0.00 178.15 177.03 1rw5 h GLU 120 N 0.71 0.19 -0.06 2.19 4.81 -1.62 -2.63 114.58 118.17 1rw5 h GLU 120 Ca 0.13 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1rw5 h GLU 120 Cb 0.54 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.92 1rw5 h GLU 120 CO 0.03 0.59 -0.43 0.93 -0.73 0.00 0.00 179.01 179.40 1rw5 h GLU 121 N 0.16 0.40 -0.16 1.92 5.08 -1.42 -3.12 114.58 117.43 1rw5 h GLU 121 Ca 0.01 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.97 1rw5 h GLU 121 Cb 0.83 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1rw5 h GLU 121 CO 0.06 1.00 -0.16 1.96 -1.00 0.00 0.00 179.01 180.88 1rw5 h GLN 122 N -0.09 0.26 -0.42 2.33 1.08 -1.19 -2.47 115.11 114.61 1rw5 h GLN 122 Ca -0.04 -0.07 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 1rw5 h GLN 122 Cb 1.10 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 1rw5 h GLN 122 CO 0.09 0.42 -0.03 1.79 -0.95 0.00 0.00 178.83 180.16 1rw5 h THR 123 N 0.25 1.23 -0.08 -0.54 1.35 -1.48 -2.60 112.91 111.04 1rw5 h THR 123 Ca 0.05 -0.98 -0.15 0.00 -0.55 0.00 0.00 66.41 64.78 1rw5 h THR 123 Cb 0.43 0.94 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1rw5 h THR 123 CO 0.03 0.34 -0.60 0.11 -0.25 0.00 0.00 175.52 175.15 1rw5 h LYS 124 N 0.66 0.27 -0.48 4.72 1.57 -1.39 -3.07 116.57 118.84 1rw5 h LYS 124 Ca 0.13 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1rw5 h LYS 124 Cb 0.44 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1rw5 h LYS 124 CO 0.02 0.79 0.27 0.00 -0.57 0.00 0.00 179.45 179.95 1rw5 h ARG 125 N 0.20 0.67 -0.88 3.15 3.08 -1.20 -1.64 114.38 117.75 1rw5 h ARG 125 Ca -0.01 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.06 1rw5 h ARG 125 Cb 1.11 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 1rw5 h ARG 125 CO 0.09 0.52 0.57 -0.07 -1.07 0.00 0.00 179.97 180.02 1rw5 h LEU 126 N 0.64 0.79 -0.23 3.04 3.38 -1.41 -1.47 115.31 120.05 1rw5 h LEU 126 Ca 0.17 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1rw5 h LEU 126 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1rw5 h LEU 126 CO -0.03 0.47 0.02 -0.07 0.09 0.00 0.00 178.44 178.92 1rw5 h LEU 127 N 0.88 -0.04 -0.57 1.67 3.38 -1.23 0.65 115.31 120.05 1rw5 h LEU 127 Ca 0.41 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.37 1rw5 h LEU 127 Cb 0.40 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1rw5 h LEU 127 CO -0.17 0.01 0.18 -0.33 0.09 0.00 0.00 178.44 178.22 1rw5 h GLU 128 N 0.10 0.89 -0.62 1.13 5.08 -1.11 0.93 114.58 120.97 1rw5 h GLU 128 Ca 0.10 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1rw5 h GLU 128 Cb 0.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1rw5 h GLU 128 CO -0.16 0.80 0.29 0.78 -1.00 0.00 0.00 179.01 179.72 1rw5 h GLY 129 N 0.80 0.95 0.89 -3.84 0.00 -0.62 -2.53 103.07 98.72 1rw5 h GLY 129 Ca 0.19 -0.45 -0.24 0.00 0.00 0.00 0.00 47.33 46.82 1rw5 h GLY 129 CO -0.01 0.43 -1.06 -0.33 0.00 0.00 0.00 176.54 175.58 1rw5 h MET 130 N 0.88 0.39 -0.37 4.80 2.86 0.97 -2.48 114.93 121.99 1rw5 h MET 130 Ca 0.22 -0.67 0.06 0.00 -2.06 0.00 0.00 59.70 57.25 1rw5 h MET 130 Cb 0.11 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1rw5 h MET 130 CO -0.03 1.32 0.25 0.93 1.06 0.00 0.00 176.91 180.44 1rw5 h GLU 131 N -0.18 0.23 0.17 1.72 5.08 0.10 0.35 114.58 122.04 1rw5 h GLU 131 Ca -0.18 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 57.83 1rw5 h GLU 131 Cb 1.84 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 31.04 1rw5 h GLU 131 CO 0.20 0.15 -1.61 1.37 -1.00 0.00 0.00 179.01 178.12 1rw5 h LEU 132 N 0.23 0.55 0.18 1.33 8.10 -1.53 -2.56 115.31 121.62 1rw5 h LEU 132 Ca 0.16 -0.75 -0.01 0.00 0.11 0.00 0.00 57.88 57.39 1rw5 h LEU 132 Cb 0.35 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 1rw5 h LEU 132 CO -0.03 1.63 -0.09 0.40 -4.11 0.00 0.00 178.44 176.24 1rw5 h ILE 133 N 0.10 0.83 -0.83 0.15 2.04 -0.77 0.10 117.51 119.14 1rw5 h ILE 133 Ca -0.28 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1rw5 h ILE 133 Cb 2.07 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 1rw5 h ILE 133 CO 0.19 0.01 0.43 1.62 0.00 0.00 0.00 178.15 180.40 1rw5 h VAL 134 N -0.28 1.25 0.00 1.67 3.04 -0.48 0.86 116.25 122.31 1rw5 h VAL 134 Ca -0.03 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1rw5 h VAL 134 Cb 0.21 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1rw5 h VAL 134 CO 0.04 0.28 0.00 0.28 -1.01 0.00 0.00 177.57 177.16 1rw5 h SER 135 N 1.16 0.00 0.00 3.17 0.02 -1.00 -0.85 113.55 116.06 1rw5 h SER 135 Ca 0.29 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.98 1rw5 h SER 135 Cb 0.06 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1rw5 h SER 135 CO -0.04 0.00 -1.98 0.00 -1.14 0.00 0.00 176.83 173.67 1rw5 n GLN 136 N -2.53 0.66 -0.19 3.45 6.02 0.32 -3.88 117.38 121.24 1rw5 n GLN 136 Ca 0.01 0.08 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 1rw5 n GLN 136 Cb 0.24 -1.35 0.02 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.69 5.09 2.07 0.69 -3.35 116.25 119.33 1rw5 h VAL 137 Ca -0.38 -1.27 -0.60 0.00 0.82 0.00 0.00 66.70 65.26 1rw5 h VAL 137 Cb 1.64 0.95 -0.40 0.00 -1.52 0.00 0.00 31.29 31.96 1rw5 h VAL 137 CO -0.05 0.45 -0.76 1.41 0.02 0.00 0.00 177.57 178.64 1rw5 n HIS 138 N -4.14 1.39 -0.03 1.57 8.25 -0.33 -4.94 115.22 117.00 1rw5 n HIS 138 Ca 0.02 -3.86 0.23 0.00 -0.26 0.00 0.00 57.72 53.85 1rw5 n HIS 138 Cb 0.40 -0.24 0.72 0.00 1.12 0.00 0.00 29.99 31.99 1rw5 n HIS 138 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1rw5 h PRO 139 N 5.37 0.00 -0.05 -0.41 0.11 -1.71 0.28 132.00 135.59 1rw5 h PRO 139 Ca 0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1rw5 h PRO 139 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1rw5 h PRO 139 CO 0.57 0.00 -0.18 0.93 -0.21 0.00 0.00 178.00 179.11 1rw5 h GLU 140 N 0.00 0.08 -5.41 1.05 5.08 -1.91 -3.39 114.58 110.08 1rw5 h GLU 140 Ca 0.29 -0.02 -0.24 0.00 -1.00 0.00 0.00 59.36 58.40 1rw5 h GLU 140 Cb 1.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1rw5 h GLU 140 CO -0.00 0.26 0.89 2.41 -1.00 0.00 0.00 179.01 181.57 1rw5 n THR 141 N -4.29 -0.04 0.31 1.13 -1.04 0.98 -4.77 114.28 106.56 1rw5 n THR 141 Ca -0.02 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.05 61.27 1rw5 n THR 141 Cb 0.26 -2.15 -0.06 0.00 -1.82 0.00 0.00 70.33 66.57 1rw5 n THR 141 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1rw5 h LYS 142 N 15.47 -0.77 -2.66 -2.82 3.64 -1.86 -3.45 116.57 124.12 1rw5 h LYS 142 Ca -0.10 0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1rw5 h LYS 142 Cb 1.14 0.17 -0.27 0.00 -0.41 0.00 0.00 32.23 32.86 1rw5 h LYS 142 CO 1.12 -0.51 -0.34 -1.83 -2.27 0.00 0.00 179.45 175.62 1rw5 s GLU 143 N -4.44 0.35 -0.27 1.90 -1.05 -1.26 -5.09 118.70 108.83 1rw5 s GLU 143 Ca -0.12 0.82 -0.02 0.00 -0.15 0.00 0.00 54.97 55.50 1rw5 s GLU 143 Cb 0.01 0.04 0.11 0.00 -0.44 0.00 0.00 34.13 33.86 1rw5 s GLU 143 CO 0.35 -0.19 0.23 1.21 0.95 0.00 0.00 175.26 177.81 1rw5 s ASN 144 N 1.70 2.14 -0.35 0.83 3.84 -1.26 -5.01 114.94 116.83 1rw5 s ASN 144 Ca -0.07 -0.78 0.15 0.00 0.21 0.00 0.00 52.86 52.36 1rw5 s ASN 144 Cb -0.10 0.23 0.43 0.00 -0.55 0.00 0.00 41.25 41.26 1rw5 s ASN 144 CO -0.12 -0.39 1.07 -1.84 -2.79 0.00 0.00 177.10 173.03 1rw5 n GLU 145 N 5.30 1.15 -3.11 0.43 0.28 -1.26 -4.85 120.64 118.57 1rw5 n GLU 145 Ca -0.04 -2.78 -0.39 0.00 -0.16 0.00 0.00 57.16 53.79 1rw5 n GLU 145 Cb 0.46 -0.88 -0.06 0.00 1.43 0.00 0.00 31.44 32.40 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 -1.97 4.75 0.20 3.84 -1.09 -1.26 -4.91 121.20 120.76 1rw5 s ILE 146 Ca 0.26 1.43 -0.02 0.00 -2.23 0.00 0.00 60.65 60.10 1rw5 s ILE 146 Cb 0.43 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1rw5 s ILE 146 CO -0.01 0.44 0.15 -0.72 -1.23 0.00 0.00 174.94 173.57 1rw5 s TYR 147 N -0.42 1.10 0.70 3.97 -0.85 -1.26 -4.30 117.35 116.29 1rw5 s TYR 147 Ca 0.34 -1.33 -0.13 0.00 -0.52 0.00 0.00 57.07 55.43 1rw5 s TYR 147 Cb -0.20 -0.51 0.02 0.00 0.38 0.00 0.00 41.96 41.65 1rw5 s TYR 147 CO 0.21 -0.66 1.09 -2.14 -1.52 0.00 0.00 175.55 172.53 1rw5 s PRO 148 N -4.15 2.65 -0.25 -3.49 0.02 -1.26 -4.99 135.00 123.53 1rw5 s PRO 148 Ca 0.38 1.21 -0.22 0.00 0.02 0.00 0.00 61.00 62.39 1rw5 s PRO 148 Cb 0.07 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 1rw5 s PRO 148 CO 0.12 -1.35 0.70 0.14 -0.33 0.00 0.00 177.00 176.28 1rw5 s VAL 149 N -2.69 4.93 -0.49 3.83 -7.23 -1.26 -4.97 120.40 112.52 1rw5 s VAL 149 Ca 0.63 1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 61.80 1rw5 s VAL 149 Cb -0.18 -4.00 0.02 0.00 0.56 0.00 0.00 36.38 32.78 1rw5 s VAL 149 CO 0.49 -0.00 1.31 0.86 -0.31 0.00 0.00 175.10 177.45 1rw5 s TRP 150 N 2.60 2.50 -0.10 2.82 -0.00 -1.26 -4.80 118.94 120.71 1rw5 s TRP 150 Ca 0.29 0.60 0.14 0.00 -0.00 0.00 0.00 56.10 57.13 1rw5 s TRP 150 Cb -0.15 -4.40 0.29 0.00 -0.00 0.00 0.00 33.47 29.20 1rw5 s TRP 150 CO 0.08 -1.74 1.14 0.45 -0.00 0.00 0.00 176.95 176.88 1rw5 n SER 151 N 8.72 1.37 -1.95 5.86 2.88 -1.26 -5.06 113.62 124.18 1rw5 n SER 151 Ca 0.13 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 1rw5 n SER 151 Cb 0.49 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rw5 n GLY 152 N -0.63 0.43 3.17 0.46 0.00 -1.26 -4.73 105.19 102.62 1rw5 n GLY 152 Ca 0.11 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.17 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 -6.14 -4.63 0.99 4.32 -1.26 -4.83 117.00 105.45 1rw5 n LEU 153 Ca 0.00 -0.34 -0.44 0.00 -0.02 0.00 0.00 56.01 55.22 1rw5 n LEU 153 Cb 0.00 -3.20 -0.03 0.00 -1.62 0.00 0.00 43.42 38.57 1rw5 n LEU 153 CO 0.00 -0.63 1.70 -2.65 -1.22 0.00 0.00 177.39 174.59 1rw5 n PRO 154 N -2.35 2.36 -2.83 3.23 -0.02 -1.26 -3.97 135.00 130.15 1rw5 n PRO 154 Ca -0.04 0.79 -0.02 0.00 -2.02 0.00 0.00 63.50 62.21 1rw5 n PRO 154 Cb 0.55 -3.03 -0.02 0.00 -0.02 0.00 0.00 33.50 30.98 1rw5 n PRO 154 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rw5 n SER 155 N 9.17 -5.20 0.26 2.55 7.64 -1.26 -4.60 113.62 122.18 1rw5 n SER 155 Ca 0.25 1.15 0.18 0.00 1.01 0.00 0.00 58.87 61.46 1rw5 n SER 155 Cb 0.40 -4.00 0.95 0.00 -1.01 0.00 0.00 64.21 60.55 1rw5 n SER 155 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rw5 h LEU 156 N 3.86 0.00 -0.08 -3.43 -0.00 -1.96 -0.86 115.31 112.84 1rw5 h LEU 156 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1rw5 h LEU 156 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1rw5 h LEU 156 CO 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.48 1rw5 n GLN 157 N -2.73 1.05 -1.63 1.13 6.02 -1.26 -4.90 117.38 115.06 1rw5 n GLN 157 Ca -0.02 -0.07 -0.46 0.00 -0.01 0.00 0.00 57.00 56.43 1rw5 n GLN 157 Cb 0.06 -1.14 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1rw5 n MET 158 N -0.56 1.67 -0.23 -1.09 2.81 -0.33 -4.89 117.12 114.50 1rw5 n MET 158 Ca 0.07 0.59 0.09 0.00 -1.81 0.00 0.00 57.70 56.64 1rw5 n MET 158 Cb 0.05 -2.17 0.19 0.00 -0.71 0.00 0.00 33.22 30.58 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rw5 n ALA 159 N 1.57 2.56 -2.64 3.04 0.00 -1.26 -4.92 120.51 118.86 1rw5 n ALA 159 Ca 0.12 -2.43 -0.42 0.00 0.00 0.00 0.00 53.44 50.72 1rw5 n ALA 159 Cb 0.29 -0.51 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 1rw5 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rw5 s ASP 160 N -2.40 6.82 0.48 0.00 2.15 -1.26 -4.91 116.67 117.55 1rw5 s ASP 160 Ca 0.35 0.98 0.14 0.00 0.43 0.00 0.00 52.55 54.46 1rw5 s ASP 160 Cb 0.30 -2.44 1.14 0.00 -0.30 0.00 0.00 42.92 41.62 1rw5 s ASP 160 CO 0.06 -0.57 2.09 -0.08 -0.17 0.00 0.00 175.17 176.49 1rw5 h GLU 161 N 7.78 0.20 0.00 4.34 4.57 -1.98 0.88 114.58 130.36 1rw5 h GLU 161 Ca -0.23 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.93 1rw5 h GLU 161 Cb 1.09 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1rw5 h GLU 161 CO 0.89 0.13 -0.33 1.49 -1.18 0.00 0.00 179.01 180.01 1rw5 h GLU 162 N 0.20 0.00 -0.86 1.92 4.81 -1.97 -3.31 114.58 115.38 1rw5 h GLU 162 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1rw5 h GLU 162 Cb 0.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1rw5 h GLU 162 CO -0.02 0.04 0.54 1.03 -0.73 0.00 0.00 179.01 179.87 1rw5 h SER 163 N -1.00 1.01 -0.91 1.04 0.87 -1.97 -2.28 113.55 110.30 1rw5 h SER 163 Ca -0.01 -0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1rw5 h SER 163 Cb 0.35 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.00 1rw5 h SER 163 CO -0.01 0.75 0.60 -0.09 -0.53 0.00 0.00 176.83 177.55 1rw5 h ARG 164 N 1.17 1.09 -0.79 2.24 9.65 -1.01 -0.43 114.38 126.30 1rw5 h ARG 164 Ca 0.31 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.18 1rw5 h ARG 164 Cb -0.09 -0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 28.19 1rw5 h ARG 164 CO -0.06 0.72 0.52 -0.07 2.80 0.00 0.00 179.97 183.88 1rw5 h LEU 165 N 1.12 0.77 -1.25 3.80 4.07 -1.50 0.35 115.31 122.67 1rw5 h LEU 165 Ca 0.37 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.40 1rw5 h LEU 165 Cb 0.05 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.57 1rw5 h LEU 165 CO -0.12 0.50 0.54 0.28 -1.08 0.00 0.00 178.44 178.57 1rw5 h SER 166 N 0.88 0.79 -0.62 -0.43 0.02 -1.05 0.84 113.55 113.97 1rw5 h SER 166 Ca 0.34 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.40 1rw5 h SER 166 Cb 0.21 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 62.51 1rw5 h SER 166 CO -0.12 0.50 0.18 0.00 -1.14 0.00 0.00 176.83 176.26 1rw5 h ALA 167 N 1.56 0.77 0.00 3.77 0.00 -0.09 -1.86 119.26 123.40 1rw5 h ALA 167 Ca 0.36 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 1rw5 h ALA 167 Cb 0.26 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1rw5 h ALA 167 CO -0.13 -0.26 -1.87 0.66 0.00 0.00 0.00 179.25 177.65 1rw5 n TYR 168 N -5.07 0.25 -0.23 0.00 4.01 -0.66 -3.73 117.16 111.73 1rw5 n TYR 168 Ca 0.09 0.08 -0.06 0.00 -0.16 0.00 0.00 57.90 57.85 1rw5 n TYR 168 Cb 0.32 -0.73 0.04 0.00 -0.31 0.00 0.00 39.34 38.65 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 0.92 -0.34 -0.72 5.03 0.94 0.64 116.97 123.44 1rw5 h TYR 169 Ca -0.13 -0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.05 1rw5 h TYR 169 Cb 1.32 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.30 1rw5 h TYR 169 CO 0.00 0.67 -0.15 -0.91 -1.32 0.00 0.00 178.16 176.45 1rw5 h ASN 170 N 0.90 0.72 0.16 -2.11 2.35 -1.52 -2.31 115.58 113.77 1rw5 h ASN 170 Ca 0.23 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1rw5 h ASN 170 Cb 0.08 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1rw5 h ASN 170 CO -0.03 0.96 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.56 1rw5 h LEU 171 N 0.48 -0.18 -0.76 1.61 3.38 -1.57 -2.67 115.31 115.60 1rw5 h LEU 171 Ca 0.08 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 57.94 1rw5 h LEU 171 Cb 0.68 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1rw5 h LEU 171 CO 0.05 0.38 0.35 -0.07 0.09 0.00 0.00 178.44 179.23 1rw5 h LEU 172 N -0.99 0.40 -0.99 1.67 3.38 0.17 0.86 115.31 119.80 1rw5 h LEU 172 Ca -0.02 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1rw5 h LEU 172 Cb 0.40 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1rw5 h LEU 172 CO 0.04 0.19 0.22 -0.74 0.09 0.00 0.00 178.44 178.23 1rw5 h HIS 173 N 0.54 0.96 -0.27 1.13 2.76 -1.52 -2.75 115.15 116.00 1rw5 h HIS 173 Ca 0.40 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.49 1rw5 h HIS 173 Cb 0.53 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 1rw5 h HIS 173 CO -0.13 0.76 0.14 0.00 -1.30 0.00 0.00 177.93 177.40 1rw5 h LEU 175 N 0.31 0.56 -2.12 0.00 3.38 -0.98 0.82 115.31 117.29 1rw5 h LEU 175 Ca 0.09 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1rw5 h LEU 175 Cb 0.08 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rw5 h LEU 175 CO -0.01 0.26 -0.08 -0.09 0.09 0.00 0.00 178.44 178.61 1rw5 h ARG 176 N 0.66 0.00 0.00 1.13 2.43 -1.28 -0.11 114.38 117.21 1rw5 h ARG 176 Ca 0.44 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 59.19 1rw5 h ARG 176 Cb 0.57 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1rw5 h ARG 176 CO -0.33 0.08 -2.41 0.54 -1.51 0.00 0.00 179.97 176.34 1rw5 n ARG 177 N -3.70 0.58 0.01 0.20 5.12 0.96 -4.21 116.66 115.62 1rw5 n ARG 177 Ca -0.02 0.25 -0.06 0.00 -1.93 0.00 0.00 57.85 56.09 1rw5 n ARG 177 Cb 0.18 -1.47 0.14 0.00 -1.16 0.00 0.00 32.46 30.15 1rw5 n ARG 177 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 1rw5 h ASP 178 N -0.99 0.53 -0.16 0.55 3.04 0.40 -2.24 116.42 117.55 1rw5 h ASP 178 Ca -0.64 -0.22 -0.04 0.00 -3.24 0.00 0.00 57.03 52.89 1rw5 h ASP 178 Cb 1.56 -0.15 -0.02 0.00 -1.04 0.00 0.00 39.33 39.69 1rw5 h ASP 178 CO -0.39 0.85 -0.02 -1.28 -2.04 0.00 0.00 179.24 176.36 1rw5 h SER 179 N 0.43 0.38 -0.20 4.15 0.87 -1.15 -1.11 113.55 116.92 1rw5 h SER 179 Ca 0.04 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.34 1rw5 h SER 179 Cb 0.83 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1rw5 h SER 179 CO 0.07 0.46 -0.64 -0.74 -0.53 0.00 0.00 176.83 175.45 1rw5 h HIS 180 N 0.40 1.03 -0.21 2.24 -0.00 -1.65 -1.95 115.15 115.02 1rw5 h HIS 180 Ca 0.09 -0.42 0.01 0.00 -0.00 0.00 0.00 60.37 60.05 1rw5 h HIS 180 Cb 0.29 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 1rw5 h HIS 180 CO 0.01 1.24 0.12 0.87 -0.00 0.00 0.00 177.93 180.17 1rw5 h LYS 181 N 0.53 0.25 -0.89 5.26 1.57 -0.79 0.91 116.57 123.40 1rw5 h LYS 181 Ca -0.02 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rw5 h LYS 181 Cb 1.27 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1rw5 h LYS 181 CO 0.14 0.16 0.59 0.82 -0.57 0.00 0.00 179.45 180.59 1rw5 h ILE 182 N 0.25 1.21 -0.46 1.86 2.04 -1.22 -1.53 117.51 119.66 1rw5 h ILE 182 Ca 0.08 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 1rw5 h ILE 182 Cb -0.01 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 1rw5 h ILE 182 CO -0.03 0.22 -0.18 -0.78 0.00 0.00 0.00 178.15 177.37 1rw5 h ASP 183 N 1.19 0.93 -0.79 1.72 3.58 -0.52 -3.13 116.42 119.40 1rw5 h ASP 183 Ca 0.33 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1rw5 h ASP 183 Cb -0.12 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.64 1rw5 h ASP 183 CO -0.08 1.09 0.50 -1.13 -2.88 0.00 0.00 179.24 176.74 1rw5 h ASN 184 N 0.80 0.93 -0.29 2.28 -1.24 0.18 -2.88 115.58 115.37 1rw5 h ASN 184 Ca 0.11 -0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.10 1rw5 h ASN 184 Cb 0.73 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 1rw5 h ASN 184 CO 0.06 0.71 0.12 1.88 -1.29 0.00 0.00 177.43 178.90 1rw5 h TYR 185 N 1.08 0.21 -0.78 0.67 0.05 -1.31 -0.93 116.97 115.96 1rw5 h TYR 185 Ca 0.29 0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.15 1rw5 h TYR 185 Cb -0.07 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 37.56 1rw5 h TYR 185 CO -0.01 0.10 0.51 -0.07 -1.05 0.00 0.00 178.16 177.65 1rw5 h LEU 186 N 0.25 0.71 -0.26 3.88 3.38 -1.57 0.86 115.31 122.57 1rw5 h LEU 186 Ca 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1rw5 h LEU 186 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1rw5 h LEU 186 CO -0.11 0.45 0.12 0.11 0.09 0.00 0.00 178.44 179.10 1rw5 h LYS 187 N 0.80 0.38 -0.06 1.13 1.57 -1.00 0.40 116.57 119.78 1rw5 h LYS 187 Ca 0.34 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1rw5 h LYS 187 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1rw5 h LYS 187 CO -0.12 0.38 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.93 1rw5 h LEU 188 N 0.28 0.24 -1.95 2.94 3.38 -0.21 -3.00 115.31 116.99 1rw5 h LEU 188 Ca 0.09 -0.58 0.06 0.00 0.09 0.00 0.00 57.88 57.55 1rw5 h LEU 188 Cb 0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1rw5 h LEU 188 CO -0.01 0.77 0.18 0.25 0.09 0.00 0.00 178.44 179.73 1rw5 h LEU 189 N -0.28 0.05 -0.73 1.67 5.85 0.80 -1.20 115.31 121.46 1rw5 h LEU 189 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1rw5 h LEU 189 Cb 0.74 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1rw5 h LEU 189 CO 0.03 0.03 0.37 0.50 -0.34 0.00 0.00 178.44 179.03 1rw5 h LYS 190 N 0.06 0.60 -0.62 1.25 3.64 -0.04 0.33 116.57 121.78 1rw5 h LYS 190 Ca 0.12 -0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.65 1rw5 h LYS 190 Cb 0.41 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1rw5 h LYS 190 CO -0.01 0.40 0.49 0.00 -2.27 0.00 0.00 179.45 178.06 1rw5 n ARG 192 N -4.16 2.87 -0.04 0.00 5.12 0.61 -3.96 116.66 117.10 1rw5 n ARG 192 Ca 0.12 -2.03 -0.09 0.00 -1.93 0.00 0.00 57.85 53.92 1rw5 n ARG 192 Cb 0.73 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.73 1rw5 n ARG 192 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1rw5 n ILE 193 N 0.21 0.99 0.00 0.55 2.08 0.84 -4.99 119.36 119.04 1rw5 n ILE 193 Ca 0.11 0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.46 1rw5 n ILE 193 Cb 0.44 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 1rw5 n ILE 193 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1rw5 n ILE 194 N -3.72 0.00 -3.71 1.39 5.41 -0.71 -5.00 119.36 113.01 1rw5 n ILE 194 Ca -0.16 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.29 1rw5 n ILE 194 Cb 0.47 -0.97 -0.04 0.00 -0.71 0.00 0.00 39.64 38.39 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 -1.95 3.48 -0.02 1.39 3.76 -1.00 -5.03 115.29 115.92 1rw5 s HIS 195 Ca 0.00 0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1rw5 s HIS 195 Cb 0.00 -1.91 -0.00 0.00 1.11 0.00 0.00 32.58 31.78 1rw5 s HIS 195 CO 0.00 0.43 -0.00 -0.91 -0.85 0.00 0.00 174.74 173.41 1rw5 h ASN 196 N 2.54 0.00 -3.80 1.40 2.35 -1.82 -3.27 115.58 112.98 1rw5 h ASN 196 Ca -0.47 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 54.63 1rw5 h ASN 196 Cb 1.17 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.36 1rw5 h ASN 196 CO 0.71 0.09 -0.51 0.21 -1.65 0.00 0.00 177.43 176.28 1rw5 s ASN 197 N -3.47 5.96 -0.02 5.81 3.84 -1.26 -4.50 114.94 121.29 1rw5 s ASN 197 Ca -0.00 -0.22 0.01 0.00 0.21 0.00 0.00 52.86 52.86 1rw5 s ASN 197 Cb 0.00 -2.11 0.02 0.00 -0.55 0.00 0.00 41.25 38.62 1rw5 s ASN 197 CO 0.00 -0.13 0.69 -3.20 -2.79 0.00 0.00 177.10 171.67 1rw5 n ASN 198 N 5.07 -0.67 0.00 -4.21 5.15 -1.26 -5.01 115.26 114.33 1rw5 n ASN 198 Ca -0.14 -1.32 0.00 0.00 -0.60 0.00 0.00 54.58 52.52 1rw5 n ASN 198 Cb 0.51 0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.97 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66