#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 3.20 0.02 1.96 0.04 -1.26 -5.03 135.00 133.92 1rw5 s PRO 2 Ca 0.00 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.13 1rw5 s PRO 2 Cb 0.00 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1rw5 s PRO 2 CO 0.00 -1.08 -0.14 0.42 0.04 0.00 0.00 177.00 176.24 1rw5 s ILE 3 N -1.42 3.09 0.07 0.56 1.09 -1.26 -5.05 121.20 118.28 1rw5 s ILE 3 Ca 0.72 -1.01 -0.24 0.00 -1.10 0.00 0.00 60.65 59.02 1rw5 s ILE 3 Cb -0.35 -2.31 -0.10 0.00 -1.06 0.00 0.00 42.46 38.64 1rw5 s ILE 3 CO 0.41 0.38 1.38 0.00 -0.10 0.00 0.00 174.94 177.01 1rw5 n PRO 5 N -4.54 0.77 0.00 0.00 -0.04 -1.26 0.10 135.00 130.03 1rw5 n PRO 5 Ca -0.05 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1rw5 n PRO 5 Cb 0.28 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rw5 n GLY 6 N 1.56 3.01 0.77 0.55 0.00 -1.26 -4.61 105.19 105.21 1rw5 n GLY 6 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1rw5 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rw5 n GLY 7 N 0.00 0.00 3.54 -0.02 0.00 -0.63 -4.99 105.19 103.09 1rw5 n GLY 7 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.72 3.12 0.37 4.61 0.00 0.28 -4.87 121.76 123.55 1rw5 s ALA 8 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 50.96 1rw5 s ALA 8 Cb 0.00 -3.82 0.73 0.00 0.00 0.00 0.00 23.12 20.03 1rw5 s ALA 8 CO 0.00 -2.43 1.95 0.00 0.00 0.00 0.00 175.76 175.28 1rw5 h ALA 9 N 9.36 1.51 0.00 0.00 0.00 -1.94 -3.25 119.26 124.94 1rw5 h ALA 9 Ca -0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1rw5 h ALA 9 Cb 1.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1rw5 h ALA 9 CO 1.11 0.36 0.00 2.89 0.00 0.00 0.00 179.25 183.61 1rw5 n ARG 10 N -4.35 5.67 -1.35 0.00 0.00 -1.26 -5.06 116.66 110.31 1rw5 n ARG 10 Ca 0.02 -0.02 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 1rw5 n ARG 10 Cb 0.18 -0.44 -0.04 0.00 -0.00 0.00 0.00 32.46 32.16 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 -4.81 4.34 0.16 0.00 -0.21 -1.26 -5.03 119.66 112.84 1rw5 s GLN 12 Ca 0.00 1.20 0.06 0.00 0.02 0.00 0.00 55.36 56.64 1rw5 s GLN 12 Cb 0.00 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 1rw5 s GLN 12 CO 0.00 -0.37 -0.13 0.14 -2.12 0.00 0.00 175.29 172.82 1rw5 s VAL 13 N 2.25 1.42 0.22 1.09 -7.23 -1.26 -5.12 120.40 111.75 1rw5 s VAL 13 Ca 0.43 -2.01 0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1rw5 s VAL 13 Cb -0.17 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1rw5 s VAL 13 CO 0.13 -0.59 -0.19 0.42 -0.31 0.00 0.00 175.10 174.56 1rw5 s THR 14 N -2.83 2.58 0.37 5.32 -4.23 -1.26 -5.01 115.64 110.57 1rw5 s THR 14 Ca 0.16 -2.06 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1rw5 s THR 14 Cb -0.01 -2.28 0.28 0.00 1.34 0.00 0.00 72.50 71.83 1rw5 s THR 14 CO 0.03 -0.20 2.00 0.17 -0.54 0.00 0.00 174.62 176.08 1rw5 h LEU 15 N 2.85 0.64 -0.05 4.79 8.10 -1.99 -2.63 115.31 127.02 1rw5 h LEU 15 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.50 1rw5 h LEU 15 Cb 1.22 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 1rw5 h LEU 15 CO 0.53 0.44 -0.12 -0.09 -4.11 0.00 0.00 178.44 175.09 1rw5 h ARG 16 N 0.74 0.17 0.45 0.17 2.43 -1.95 -2.39 114.38 114.01 1rw5 h ARG 16 Ca 0.25 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1rw5 h ARG 16 Cb 0.08 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1rw5 h ARG 16 CO -0.07 0.72 -0.35 -0.44 -1.51 0.00 0.00 179.97 178.33 1rw5 h ASP 17 N -0.36 -0.91 -0.84 -3.80 3.32 -1.88 0.44 116.42 112.39 1rw5 h ASP 17 Ca -0.00 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1rw5 h ASP 17 Cb 0.73 0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1rw5 h ASP 17 CO 0.03 -0.49 0.40 -0.07 -1.72 0.00 0.00 179.24 177.38 1rw5 h LEU 18 N -0.77 1.10 -0.42 1.55 3.38 -1.65 -1.71 115.31 116.79 1rw5 h LEU 18 Ca -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1rw5 h LEU 18 Cb 0.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1rw5 h LEU 18 CO 0.02 0.93 0.22 0.15 0.09 0.00 0.00 178.44 179.85 1rw5 h PHE 19 N 1.20 0.59 -0.82 1.13 3.57 -1.29 0.22 116.94 121.53 1rw5 h PHE 19 Ca 0.29 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1rw5 h PHE 19 Cb 0.12 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1rw5 h PHE 19 CO 0.02 0.46 0.54 0.22 -2.23 0.00 0.00 178.31 177.32 1rw5 h ASP 20 N 0.55 0.88 -0.31 0.41 3.58 0.31 0.27 116.42 122.11 1rw5 h ASP 20 Ca 0.15 -0.01 -0.17 0.00 0.42 0.00 0.00 57.03 57.41 1rw5 h ASP 20 Cb 0.07 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 1rw5 h ASP 20 CO -0.02 0.61 -0.47 0.03 -2.88 0.00 0.00 179.24 176.50 1rw5 h ARG 21 N 1.03 0.89 -0.33 0.28 3.08 -0.59 -2.31 114.38 116.43 1rw5 h ARG 21 Ca 0.33 -0.52 -0.10 0.00 0.07 0.00 0.00 59.98 59.76 1rw5 h ARG 21 Cb 0.03 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1rw5 h ARG 21 CO -0.09 1.16 -0.20 0.00 -1.07 0.00 0.00 179.97 179.76 1rw5 h ALA 22 N 0.75 1.03 -0.45 0.04 0.00 0.54 0.63 119.26 121.81 1rw5 h ALA 22 Ca 0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1rw5 h ALA 22 Cb 1.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1rw5 h ALA 22 CO 0.11 0.58 -0.13 0.28 0.00 0.00 0.00 179.25 180.09 1rw5 h VAL 23 N 0.55 1.27 0.06 0.00 2.07 -0.39 -2.08 116.25 117.73 1rw5 h VAL 23 Ca 0.08 -1.26 -0.26 0.00 0.82 0.00 0.00 66.70 66.09 1rw5 h VAL 23 Cb 0.65 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1rw5 h VAL 23 CO 0.05 0.43 -1.10 0.58 0.02 0.00 0.00 177.57 177.55 1rw5 h VAL 24 N 0.71 1.40 -0.49 2.57 2.07 -1.21 -3.23 116.25 118.06 1rw5 h VAL 24 Ca 0.11 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1rw5 h VAL 24 Cb 0.68 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 1rw5 h VAL 24 CO 0.05 0.78 0.32 0.25 0.02 0.00 0.00 177.57 178.99 1rw5 h LEU 25 N 0.20 0.57 -1.51 2.57 5.85 0.37 -1.50 115.31 121.86 1rw5 h LEU 25 Ca -0.12 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1rw5 h LEU 25 Cb 1.76 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1rw5 h LEU 25 CO 0.19 0.42 -0.12 0.77 -0.34 0.00 0.00 178.44 179.37 1rw5 h SER 26 N 0.67 0.16 0.11 1.25 4.64 -1.39 -2.10 113.55 116.89 1rw5 h SER 26 Ca 0.18 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.35 1rw5 h SER 26 Cb -0.06 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1rw5 h SER 26 CO -0.04 0.30 -0.44 -0.74 -0.87 0.00 0.00 176.83 175.05 1rw5 h HIS 27 N 0.17 0.48 -0.15 4.77 -0.00 -1.37 -3.02 115.15 116.03 1rw5 h HIS 27 Ca 0.04 -0.14 0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1rw5 h HIS 27 Cb 0.32 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.61 1rw5 h HIS 27 CO 0.00 0.77 0.08 -0.92 -0.00 0.00 0.00 177.93 177.87 1rw5 h TYR 28 N 0.33 0.15 -0.35 5.26 3.20 -1.27 -1.43 116.97 122.85 1rw5 h TYR 28 Ca 0.02 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1rw5 h TYR 28 Cb 0.90 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1rw5 h TYR 28 CO 0.03 0.09 0.24 0.82 -1.64 0.00 0.00 178.16 177.69 1rw5 h ILE 29 N 0.17 1.02 -0.41 1.81 2.04 -1.49 -0.82 117.51 119.83 1rw5 h ILE 29 Ca 0.06 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1rw5 h ILE 29 Cb 0.00 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1rw5 h ILE 29 CO -0.03 0.07 0.19 -0.74 0.00 0.00 0.00 178.15 177.63 1rw5 h HIS 30 N 0.36 0.35 -0.39 1.37 2.76 -1.14 0.24 115.15 118.69 1rw5 h HIS 30 Ca 0.14 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1rw5 h HIS 30 Cb 0.13 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1rw5 h HIS 30 CO -0.00 0.17 0.11 -0.97 -1.30 0.00 0.00 177.93 175.94 1rw5 h ASN 31 N 0.39 0.58 0.65 3.26 -0.73 -0.88 0.38 115.58 119.22 1rw5 h ASN 31 Ca 0.18 -0.22 -0.03 0.00 1.87 0.00 0.00 56.30 58.10 1rw5 h ASN 31 Cb 0.11 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 1rw5 h ASN 31 CO -0.14 0.65 -0.45 -0.07 -0.37 0.00 0.00 177.43 177.05 1rw5 h LEU 32 N 0.49 -1.15 -1.45 0.34 3.38 -0.46 0.47 115.31 116.92 1rw5 h LEU 32 Ca 0.12 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1rw5 h LEU 32 Cb 0.29 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1rw5 h LEU 32 CO -0.00 -0.66 0.38 0.77 0.09 0.00 0.00 178.44 179.02 1rw5 h SER 33 N -1.04 0.63 0.56 -0.43 4.64 -0.55 0.66 113.55 118.02 1rw5 h SER 33 Ca -0.09 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1rw5 h SER 33 Cb 0.85 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1rw5 h SER 33 CO 0.06 0.45 -0.27 -1.28 -0.87 0.00 0.00 176.83 174.92 1rw5 h SER 34 N 0.74 -0.64 -0.30 4.97 0.87 0.30 -2.41 113.55 117.08 1rw5 h SER 34 Ca 0.21 0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.64 1rw5 h SER 34 Cb -0.04 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1rw5 h SER 34 CO -0.05 -0.36 -0.39 -0.33 -0.53 0.00 0.00 176.83 175.17 1rw5 h GLU 35 N -0.96 0.85 -0.67 2.24 5.08 0.01 -2.42 114.58 118.71 1rw5 h GLU 35 Ca -0.08 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 57.90 1rw5 h GLU 35 Cb 0.58 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1rw5 h GLU 35 CO 0.13 1.09 0.36 1.98 -1.00 0.00 0.00 179.01 181.57 1rw5 h MET 36 N 0.70 0.64 -0.22 2.33 4.05 0.24 0.21 114.93 122.88 1rw5 h MET 36 Ca 0.06 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.33 1rw5 h MET 36 Cb 0.96 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1rw5 h MET 36 CO 0.09 0.42 -0.29 0.35 0.23 0.00 0.00 176.91 177.71 1rw5 h PHE 37 N 0.66 0.72 -0.96 1.39 3.57 -1.38 -2.81 116.94 118.12 1rw5 h PHE 37 Ca 0.31 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1rw5 h PHE 37 Cb 0.23 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1rw5 h PHE 37 CO -0.09 0.96 0.64 0.66 -2.23 0.00 0.00 178.31 178.25 1rw5 h SER 38 N 0.28 1.10 -0.75 0.41 4.64 -0.90 0.84 113.55 119.17 1rw5 h SER 38 Ca 0.03 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1rw5 h SER 38 Cb 0.87 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1rw5 h SER 38 CO 0.07 0.79 0.39 -0.33 -0.87 0.00 0.00 176.83 176.88 1rw5 h GLU 39 N 1.29 1.05 0.04 4.77 5.08 -0.93 0.49 114.58 126.38 1rw5 h GLU 39 Ca 0.36 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rw5 h GLU 39 Cb -0.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.93 1rw5 h GLU 39 CO -0.09 0.80 -0.02 0.35 -1.00 0.00 0.00 179.01 179.05 1rw5 h PHE 40 N 1.04 -0.05 -0.97 4.33 3.57 -1.03 -2.37 116.94 121.45 1rw5 h PHE 40 Ca 0.26 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.93 1rw5 h PHE 40 Cb 0.06 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 1rw5 h PHE 40 CO 0.00 0.48 0.61 0.22 -2.23 0.00 0.00 178.31 177.39 1rw5 h ASP 41 N -0.62 0.73 -0.15 0.41 3.58 0.88 0.58 116.42 121.83 1rw5 h ASP 41 Ca -0.01 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1rw5 h ASP 41 Cb 0.56 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1rw5 h ASP 41 CO 0.01 0.31 0.00 0.29 -2.88 0.00 0.00 179.24 176.97 1rw5 n LYS 42 N -4.65 1.82 -0.02 0.28 4.76 0.15 -1.63 118.16 118.87 1rw5 n LYS 42 Ca 0.21 -1.23 -0.03 0.00 -2.87 0.00 0.00 58.31 54.39 1rw5 n LYS 42 Cb 0.54 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 32.29 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rw5 n ARG 43 N 0.46 0.16 0.06 1.97 1.74 0.15 -4.36 116.66 116.85 1rw5 n ARG 43 Ca 0.17 0.07 0.05 0.00 -0.77 0.00 0.00 57.85 57.37 1rw5 n ARG 43 Cb 0.38 -0.70 -0.05 0.00 -1.02 0.00 0.00 32.46 31.06 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 -3.25 0.92 -1.27 -1.55 4.02 -0.94 -4.15 117.16 110.95 1rw5 n TYR 44 Ca -0.04 0.29 0.05 0.00 -0.01 0.00 0.00 57.90 58.18 1rw5 n TYR 44 Cb 0.16 -1.00 0.20 0.00 -0.02 0.00 0.00 39.34 38.68 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 -2.76 2.25 -1.72 -0.72 -2.24 -1.21 -4.82 114.28 103.05 1rw5 n THR 45 Ca -0.06 -2.50 -0.18 0.00 -2.27 0.00 0.00 64.05 59.05 1rw5 n THR 45 Cb 0.70 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.36 -0.61 4.78 5.04 -0.64 -2.48 115.29 119.68 1rw5 s HIS 46 Ca 0.39 1.62 -0.03 0.00 -1.54 0.00 0.00 55.06 55.51 1rw5 s HIS 46 Cb 0.35 -3.60 0.00 0.00 0.04 0.00 0.00 32.58 29.37 1rw5 s HIS 46 CO 0.02 -1.47 0.38 0.41 -2.34 0.00 0.00 174.74 171.74 1rw5 n GLY 47 N 6.68 0.25 0.37 1.59 0.00 -1.26 -4.89 105.19 107.93 1rw5 n GLY 47 Ca 0.44 -0.34 0.14 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 -0.87 0.42 0.00 1.61 9.65 -1.80 -3.45 114.38 119.94 1rw5 h ARG 48 Ca -0.23 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1rw5 h ARG 48 Cb 1.15 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1rw5 h ARG 48 CO 0.24 0.28 0.00 0.41 2.80 0.00 0.00 179.97 183.70 1rw5 n GLY 49 N -1.52 3.08 1.14 2.80 0.00 -1.26 -4.82 105.19 104.62 1rw5 n GLY 49 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1rw5 n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rw5 n PHE 50 N -0.36 1.00 -4.64 1.61 -1.74 -1.26 -4.95 117.46 107.12 1rw5 n PHE 50 Ca 0.00 -0.60 -0.32 0.00 -0.56 0.00 0.00 57.45 55.98 1rw5 n PHE 50 Cb 0.00 -0.14 -0.12 0.00 1.52 0.00 0.00 39.48 40.74 1rw5 n PHE 50 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1rw5 s ILE 51 N -1.58 3.18 0.09 1.97 -4.36 -1.26 -5.11 121.20 114.12 1rw5 s ILE 51 Ca 0.41 -0.92 0.08 0.00 -0.26 0.00 0.00 60.65 59.95 1rw5 s ILE 51 Cb 0.25 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.60 1rw5 s ILE 51 CO 0.21 0.42 -0.20 0.42 0.24 0.00 0.00 174.94 176.03 1rw5 s THR 52 N -0.91 1.59 0.35 8.37 -4.23 -1.26 -4.97 115.64 114.58 1rw5 s THR 52 Ca 0.15 -1.46 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 1rw5 s THR 52 Cb -0.11 -1.45 0.13 0.00 1.34 0.00 0.00 72.50 72.40 1rw5 s THR 52 CO 0.05 -0.06 1.85 0.11 -0.54 0.00 0.00 174.62 176.03 1rw5 h LYS 53 N 4.20 0.29 -6.41 3.99 1.57 -2.03 -3.40 116.57 114.78 1rw5 h LYS 53 Ca -0.45 -0.08 -0.57 0.00 -1.87 0.00 0.00 60.65 57.68 1rw5 h LYS 53 Cb 1.18 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1rw5 h LYS 53 CO 0.40 0.47 1.10 0.00 -0.57 0.00 0.00 179.45 180.86 1rw5 s ALA 54 N -4.62 3.10 -0.08 3.86 0.00 -1.26 -4.98 121.76 117.79 1rw5 s ALA 54 Ca -0.06 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1rw5 s ALA 54 Cb 0.15 -3.91 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1rw5 s ALA 54 CO 0.75 -2.26 -0.18 0.42 0.00 0.00 0.00 175.76 174.49 1rw5 s ILE 55 N 5.49 1.57 -0.23 0.00 -1.09 -1.26 -5.00 121.20 120.68 1rw5 s ILE 55 Ca 0.66 -0.74 0.11 0.00 -2.23 0.00 0.00 60.65 58.45 1rw5 s ILE 55 Cb -0.18 -1.38 0.44 0.00 -1.58 0.00 0.00 42.46 39.76 1rw5 s ILE 55 CO 0.31 0.45 1.31 -0.46 -1.23 0.00 0.00 174.94 175.32 1rw5 n ASN 56 N 3.63 2.09 -4.38 3.58 6.94 -1.26 -4.96 115.26 120.90 1rw5 n ASN 56 Ca -0.21 -3.77 -0.42 0.00 -0.02 0.00 0.00 54.58 50.16 1rw5 n ASN 56 Cb 0.52 -0.56 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1rw5 s SER 57 N -2.93 5.90 -0.03 0.53 0.15 -1.26 -5.05 113.70 111.01 1rw5 s SER 57 Ca 0.40 -1.11 -0.14 0.00 0.70 0.00 0.00 55.95 55.80 1rw5 s SER 57 Cb 0.37 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.62 1rw5 s SER 57 CO -0.03 -0.48 0.30 0.00 1.20 0.00 0.00 173.24 174.23 1rw5 n HIS 59 N 1.59 0.21 1.46 0.00 8.25 -1.26 -4.18 115.22 121.29 1rw5 n HIS 59 Ca -0.20 0.07 0.15 0.00 -0.26 0.00 0.00 57.72 57.48 1rw5 n HIS 59 Cb 0.56 -0.86 0.77 0.00 1.12 0.00 0.00 29.99 31.58 1rw5 n HIS 59 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rw5 n THR 60 N -2.63 0.00 0.15 1.59 -2.24 -1.26 -3.57 114.28 106.33 1rw5 n THR 60 Ca -0.19 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1rw5 n THR 60 Cb 0.90 -0.48 0.65 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.02 0.02 -0.04 3.42 4.64 -2.00 0.88 113.55 120.48 1rw5 h SER 61 Ca 0.00 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1rw5 h SER 61 Cb 0.27 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1rw5 h SER 61 CO 0.00 0.01 0.03 0.28 -0.87 0.00 0.00 176.83 176.28 1rw5 h SER 62 N 0.02 0.00 -3.97 4.97 0.02 -1.87 -3.42 113.55 109.29 1rw5 h SER 62 Ca 0.10 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.52 1rw5 h SER 62 Cb 0.39 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.03 1rw5 h SER 62 CO -0.00 0.00 0.65 -0.76 -1.14 0.00 0.00 176.83 175.58 1rw5 s LEU 63 N -8.84 4.14 -1.19 5.07 1.02 0.30 -4.87 118.68 114.32 1rw5 s LEU 63 Ca -0.05 2.78 -0.07 0.00 0.02 0.00 0.00 54.13 56.80 1rw5 s LEU 63 Cb 0.17 -3.95 -0.04 0.00 0.02 0.00 0.00 46.19 42.39 1rw5 s LEU 63 CO 0.66 -1.05 2.86 0.00 0.02 0.00 0.00 176.35 178.84 1rw5 n ALA 64 N -0.11 7.07 -1.00 4.21 0.00 -1.26 -4.96 120.51 124.45 1rw5 n ALA 64 Ca 0.05 -3.41 -0.32 0.00 0.00 0.00 0.00 53.44 49.75 1rw5 n ALA 64 Cb 0.43 -2.92 0.13 0.00 0.00 0.00 0.00 19.45 17.09 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rw5 s THR 65 N 0.54 2.32 0.11 0.00 -4.23 -1.26 -4.88 115.64 108.25 1rw5 s THR 65 Ca 0.64 0.12 -0.32 0.00 -1.18 0.00 0.00 61.69 60.95 1rw5 s THR 65 Cb 0.22 -2.40 -0.11 0.00 1.34 0.00 0.00 72.50 71.55 1rw5 s THR 65 CO -0.08 -0.12 1.81 -0.81 -0.54 0.00 0.00 174.62 174.89 1rw5 n PRO 66 N -3.62 2.67 -0.15 3.99 -0.04 -1.26 -4.90 135.00 131.69 1rw5 n PRO 66 Ca 0.12 0.97 -0.12 0.00 -0.04 0.00 0.00 63.50 64.43 1rw5 n PRO 66 Cb 0.52 -2.85 -0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 8.29 0.98 0.00 0.54 5.08 -1.91 -3.48 114.58 124.08 1rw5 h GLU 67 Ca -0.46 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.44 1rw5 h GLU 67 Cb 1.23 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.47 1rw5 h GLU 67 CO 0.94 1.12 0.23 -0.40 -1.00 0.00 0.00 179.01 179.90 1rw5 n ASP 68 N -4.09 -1.75 -0.36 1.42 5.68 -1.26 -4.99 116.55 111.20 1rw5 n ASP 68 Ca -0.01 -2.19 0.00 0.00 -0.50 0.00 0.00 54.79 52.10 1rw5 n ASP 68 Cb 0.48 2.90 0.16 0.00 -1.14 0.00 0.00 41.12 43.52 1rw5 n ASP 68 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1rw5 h LYS 69 N 0.00 1.21 -0.70 0.11 1.57 -2.00 -1.63 116.57 115.12 1rw5 h LYS 69 Ca -0.26 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1rw5 h LYS 69 Cb 0.95 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1rw5 h LYS 69 CO 0.32 0.80 0.39 1.49 -0.57 0.00 0.00 179.45 181.89 1rw5 h GLU 70 N 1.25 0.97 -0.09 3.15 4.81 -2.01 -1.40 114.58 121.27 1rw5 h GLU 70 Ca 0.39 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1rw5 h GLU 70 Cb -0.01 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1rw5 h GLU 70 CO -0.11 0.72 -0.17 0.37 -0.73 0.00 0.00 179.01 179.08 1rw5 h GLN 71 N 0.96 0.14 -0.29 1.92 5.75 -1.74 -2.67 115.11 119.18 1rw5 h GLN 71 Ca 0.25 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.77 1rw5 h GLN 71 Cb 0.02 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 1rw5 h GLN 71 CO -0.04 0.32 -0.01 0.00 -2.65 0.00 0.00 178.83 176.45 1rw5 h ALA 72 N 1.70 0.25 -1.00 3.38 0.00 -0.36 0.92 119.26 124.15 1rw5 h ALA 72 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1rw5 h ALA 72 Cb 0.39 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1rw5 h ALA 72 CO 0.03 -0.42 0.66 1.96 0.00 0.00 0.00 179.25 181.48 1rw5 h GLN 73 N 0.08 1.29 -0.13 0.00 1.08 -1.38 0.99 115.11 117.04 1rw5 h GLN 73 Ca 0.14 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 1rw5 h GLN 73 Cb 0.19 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1rw5 h GLN 73 CO -0.24 0.85 -0.17 1.96 -0.95 0.00 0.00 178.83 180.28 1rw5 h GLN 74 N 1.33 0.21 -7.19 1.46 4.20 -0.75 -3.43 115.11 110.95 1rw5 h GLN 74 Ca 0.37 -0.05 -0.49 0.00 0.06 0.00 0.00 58.65 58.54 1rw5 h GLN 74 Cb -0.12 -0.03 0.05 0.00 0.30 0.00 0.00 27.48 27.69 1rw5 h GLN 74 CO -0.09 0.39 0.38 -1.64 -0.67 0.00 0.00 178.83 177.19 1rw5 s MET 75 N -4.65 3.49 0.22 1.46 -1.94 0.30 -5.04 119.30 113.15 1rw5 s MET 75 Ca -0.05 1.15 -0.07 0.00 -1.71 0.00 0.00 55.69 55.00 1rw5 s MET 75 Cb 0.15 -2.06 -0.06 0.00 2.01 0.00 0.00 34.83 34.87 1rw5 s MET 75 CO 0.73 -0.66 0.51 -0.80 -0.01 0.00 0.00 175.02 174.79 1rw5 s ASN 76 N -2.83 6.55 0.31 3.03 0.02 -1.26 -4.91 114.94 115.85 1rw5 s ASN 76 Ca 0.63 0.80 0.02 0.00 -1.02 0.00 0.00 52.86 53.29 1rw5 s ASN 76 Cb -0.14 -2.18 0.59 0.00 0.02 0.00 0.00 41.25 39.54 1rw5 s ASN 76 CO 0.35 -0.07 1.89 1.56 0.02 0.00 0.00 177.10 180.84 1rw5 h GLN 77 N 2.41 0.93 -0.80 -0.60 4.20 -1.95 -0.68 115.11 118.61 1rw5 h GLN 77 Ca -0.47 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 1rw5 h GLN 77 Cb 1.17 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 1rw5 h GLN 77 CO 0.69 0.62 0.47 -0.22 -0.67 0.00 0.00 178.83 179.72 1rw5 h LYS 78 N 0.96 1.10 -0.84 1.46 3.64 -1.99 -2.39 116.57 118.51 1rw5 h LYS 78 Ca 0.42 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 1rw5 h LYS 78 Cb 0.35 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1rw5 h LYS 78 CO -0.18 0.78 0.53 -0.44 -2.27 0.00 0.00 179.45 177.87 1rw5 h ASP 79 N 1.11 0.86 -0.17 4.20 3.32 -1.51 -0.98 116.42 123.27 1rw5 h ASP 79 Ca 0.29 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.36 1rw5 h ASP 79 Cb -0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1rw5 h ASP 79 CO -0.05 0.58 0.04 -0.26 -1.72 0.00 0.00 179.24 177.83 1rw5 h PHE 80 N 1.01 0.07 -0.85 4.55 -1.00 -1.32 0.20 116.94 119.61 1rw5 h PHE 80 Ca 0.35 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 61.11 1rw5 h PHE 80 Cb 0.08 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.59 1rw5 h PHE 80 CO -0.03 0.03 0.43 -0.07 -1.61 0.00 0.00 178.31 177.06 1rw5 h LEU 81 N 0.11 1.08 -0.58 1.54 4.07 -1.33 -2.38 115.31 117.83 1rw5 h LEU 81 Ca 0.07 -0.12 -0.15 0.00 0.08 0.00 0.00 57.88 57.76 1rw5 h LEU 81 Cb 0.06 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 1rw5 h LEU 81 CO -0.09 0.90 -0.56 0.77 -1.08 0.00 0.00 178.44 178.38 1rw5 h SER 82 N 1.20 0.50 -0.64 -0.43 4.64 -0.66 -3.17 113.55 114.99 1rw5 h SER 82 Ca 0.29 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 61.26 1rw5 h SER 82 Cb 0.08 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 1rw5 h SER 82 CO -0.04 0.95 0.07 -0.07 -0.87 0.00 0.00 176.83 176.87 1rw5 h LEU 83 N 0.34 1.05 -0.34 5.97 3.38 -0.23 -2.59 115.31 122.89 1rw5 h LEU 83 Ca 0.00 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1rw5 h LEU 83 Cb 1.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1rw5 h LEU 83 CO 0.10 1.06 0.15 0.40 0.09 0.00 0.00 178.44 180.25 1rw5 h ILE 84 N 1.00 0.96 -0.83 1.22 2.04 -1.41 -1.73 117.51 118.76 1rw5 h ILE 84 Ca 0.19 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1rw5 h ILE 84 Cb 0.48 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1rw5 h ILE 84 CO 0.02 0.06 0.49 0.58 0.00 0.00 0.00 178.15 179.29 1rw5 h VAL 85 N 0.32 1.24 -0.48 1.67 2.07 -1.53 -1.69 116.25 117.85 1rw5 h VAL 85 Ca 0.15 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1rw5 h VAL 85 Cb 0.08 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1rw5 h VAL 85 CO -0.12 0.25 0.31 -1.28 0.02 0.00 0.00 177.57 176.76 1rw5 h SER 86 N 1.15 0.55 0.29 0.57 0.87 -1.02 -1.81 113.55 114.15 1rw5 h SER 86 Ca 0.30 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1rw5 h SER 86 Cb -0.02 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 1rw5 h SER 86 CO -0.05 0.40 -0.14 0.40 -0.53 0.00 0.00 176.83 176.91 1rw5 h ILE 87 N 0.65 0.72 -0.59 2.23 2.04 -0.98 -2.13 117.51 119.45 1rw5 h ILE 87 Ca 0.17 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.47 1rw5 h ILE 87 Cb -0.07 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1rw5 h ILE 87 CO -0.04 0.12 0.32 -0.07 0.00 0.00 0.00 178.15 178.49 1rw5 h LEU 88 N -0.74 0.48 -0.89 1.44 3.38 -1.29 -2.30 115.31 115.39 1rw5 h LEU 88 Ca -0.04 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1rw5 h LEU 88 Cb 0.49 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 88 CO 0.06 0.32 -0.35 -0.09 0.09 0.00 0.00 178.44 178.47 1rw5 h ARG 89 N 0.61 0.39 -0.61 1.13 2.43 -1.38 -2.91 114.38 114.04 1rw5 h ARG 89 Ca 0.26 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1rw5 h ARG 89 Cb 0.15 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1rw5 h ARG 89 CO -0.16 0.69 0.40 0.66 -1.51 0.00 0.00 179.97 180.05 1rw5 h SER 90 N 0.33 0.55 1.04 -3.80 4.64 -0.79 -1.36 113.55 114.16 1rw5 h SER 90 Ca 0.04 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1rw5 h SER 90 Cb 0.78 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1rw5 h SER 90 CO 0.06 0.36 -0.39 0.79 -0.87 0.00 0.00 176.83 176.78 1rw5 n TRP 91 N -4.47 0.62 -0.29 4.77 5.03 -1.11 -4.02 117.44 117.97 1rw5 n TRP 91 Ca 0.08 0.18 0.01 0.00 3.03 0.00 0.00 57.50 60.81 1rw5 n TRP 91 Cb 0.20 -0.72 0.15 0.00 -1.03 0.00 0.00 31.31 29.91 1rw5 n TRP 91 CO 0.00 0.00 0.00 -0.97 -0.03 0.00 0.00 177.69 176.69 1rw5 h ASN 92 N 0.00 0.72 0.23 -0.99 -1.24 -1.11 -1.36 115.58 111.83 1rw5 h ASN 92 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1rw5 h ASN 92 Cb 0.72 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.66 1rw5 h ASN 92 CO 0.00 0.44 -0.11 -0.08 -1.29 0.00 0.00 177.43 176.39 1rw5 h GLU 93 N 0.85 -0.30 -0.96 6.67 4.57 -1.70 -3.10 114.58 120.60 1rw5 h GLU 93 Ca 0.37 0.02 0.22 0.00 -1.18 0.00 0.00 59.36 58.80 1rw5 h GLU 93 Cb 0.26 0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 28.80 1rw5 h GLU 93 CO -0.21 -0.02 0.53 -1.35 -1.18 0.00 0.00 179.01 176.78 1rw5 h PRO 94 N -1.00 0.55 -0.25 0.92 0.11 -1.71 0.18 132.00 130.79 1rw5 h PRO 94 Ca -0.03 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1rw5 h PRO 94 Cb 0.42 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1rw5 h PRO 94 CO 0.05 0.36 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.96 1rw5 h LEU 95 N 0.56 0.43 -0.29 2.35 3.38 -1.34 -2.27 115.31 118.13 1rw5 h LEU 95 Ca 0.60 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.49 1rw5 h LEU 95 Cb 1.08 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1rw5 h LEU 95 CO -0.47 0.62 0.02 0.22 0.09 0.00 0.00 178.44 178.93 1rw5 h TYR 96 N 0.40 0.03 -0.37 1.13 3.20 -0.56 -0.99 116.97 119.82 1rw5 h TYR 96 Ca 0.07 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.82 1rw5 h TYR 96 Cb 0.53 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1rw5 h TYR 96 CO 0.02 -0.02 -0.32 0.45 -1.64 0.00 0.00 178.16 176.65 1rw5 h HIS 97 N 0.12 0.96 -0.81 -3.82 3.86 -1.43 -1.74 115.15 112.29 1rw5 h HIS 97 Ca 0.14 -0.26 0.12 0.00 -1.16 0.00 0.00 60.37 59.21 1rw5 h HIS 97 Cb 0.17 -0.21 -0.08 0.00 1.06 0.00 0.00 27.41 28.35 1rw5 h HIS 97 CO -0.20 1.03 0.43 -0.07 0.86 0.00 0.00 177.93 179.98 1rw5 h LEU 98 N 0.69 0.57 -0.45 2.43 4.07 -0.77 0.53 115.31 122.38 1rw5 h LEU 98 Ca 0.07 0.07 -0.16 0.00 0.08 0.00 0.00 57.88 57.94 1rw5 h LEU 98 Cb 0.87 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 1rw5 h LEU 98 CO 0.08 0.29 -0.46 0.58 -1.08 0.00 0.00 178.44 177.85 1rw5 h VAL 99 N 0.69 1.29 -0.32 1.22 2.07 -0.98 -0.98 116.25 119.24 1rw5 h VAL 99 Ca 0.41 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1rw5 h VAL 99 Cb 0.48 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1rw5 h VAL 99 CO -0.30 0.54 0.01 0.71 0.02 0.00 0.00 177.57 178.55 1rw5 h THR 100 N 0.62 1.25 -0.27 2.57 1.35 -0.03 0.69 112.91 119.09 1rw5 h THR 100 Ca 0.04 -0.93 -0.13 0.00 -0.55 0.00 0.00 66.41 64.84 1rw5 h THR 100 Cb 1.03 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1rw5 h THR 100 CO 0.10 0.30 -0.33 -0.33 -0.25 0.00 0.00 175.52 175.02 1rw5 h GLU 101 N 0.36 0.70 -0.59 4.72 4.39 -0.04 -2.96 114.58 121.16 1rw5 h GLU 101 Ca 0.09 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 1rw5 h GLU 101 Cb 0.43 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1rw5 h GLU 101 CO 0.01 1.01 0.04 0.28 -1.16 0.00 0.00 179.01 179.20 1rw5 h VAL 102 N 0.44 1.26 -0.89 3.13 2.07 -1.13 -2.26 116.25 118.87 1rw5 h VAL 102 Ca 0.04 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.57 1rw5 h VAL 102 Cb 0.91 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1rw5 h VAL 102 CO 0.08 0.39 0.58 -0.09 0.02 0.00 0.00 177.57 178.55 1rw5 h ARG 103 N 0.90 0.90 -0.11 1.57 2.43 -0.82 0.85 114.38 120.10 1rw5 h ARG 103 Ca 0.17 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1rw5 h ARG 103 Cb 0.50 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1rw5 h ARG 103 CO 0.02 0.60 0.00 0.41 -1.51 0.00 0.00 179.97 179.49 1rw5 n GLY 104 N -1.40 0.01 3.55 2.80 0.00 -1.02 -4.79 105.19 104.34 1rw5 n GLY 104 Ca 0.15 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.86 3.45 0.24 1.61 -2.45 0.29 -4.90 119.30 115.68 1rw5 s MET 105 Ca 0.33 -0.01 -0.07 0.00 -1.25 0.00 0.00 55.69 54.68 1rw5 s MET 105 Cb 0.17 -3.95 0.23 0.00 1.25 0.00 0.00 34.83 32.53 1rw5 s MET 105 CO 0.27 -1.23 1.91 0.37 1.05 0.00 0.00 175.02 177.39 1rw5 h GLN 106 N 9.08 1.24 -0.08 4.11 4.15 -1.86 0.08 115.11 131.83 1rw5 h GLN 106 Ca -0.25 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.00 1rw5 h GLN 106 Cb 1.08 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1rw5 h GLN 106 CO 1.01 0.83 -0.36 0.93 -1.93 0.00 0.00 178.83 179.32 1rw5 h GLU 107 N 1.27 0.16 -2.25 1.69 3.07 -1.95 -3.33 114.58 113.25 1rw5 h GLU 107 Ca 0.34 -0.07 -0.58 0.00 -0.50 0.00 0.00 59.36 58.55 1rw5 h GLU 107 Cb -0.12 -0.01 -0.40 0.00 -0.84 0.00 0.00 28.75 27.38 1rw5 h GLU 107 CO -0.07 0.50 -0.88 0.00 -1.40 0.00 0.00 179.01 177.16 1rw5 n ALA 108 N -2.47 3.07 -0.07 3.43 0.00 -0.55 -4.94 120.51 118.97 1rw5 n ALA 108 Ca -0.01 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1rw5 n ALA 108 Cb 0.43 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1rw5 n ALA 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rw5 n PRO 109 N 1.58 0.00 -0.32 0.00 -0.04 -0.09 -4.30 135.00 131.84 1rw5 n PRO 109 Ca 0.25 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 1rw5 n PRO 109 Cb 0.47 -0.77 0.29 0.00 -0.04 0.00 0.00 33.50 33.45 1rw5 n PRO 109 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rw5 n GLU 110 N -2.10 2.66 0.00 0.54 1.02 -1.26 -3.87 120.64 117.63 1rw5 n GLU 110 Ca 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.58 1rw5 n GLU 110 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 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 1.63 0.00 0.17 0.62 0.00 -1.26 -3.91 120.51 117.75 1rw5 n ALA 111 Ca 0.23 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.61 1rw5 n ALA 111 Cb 0.62 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.32 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 1.04 -0.36 0.00 2.04 -1.82 -3.10 117.51 115.31 1rw5 h ILE 112 Ca 0.00 -1.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.01 1rw5 h ILE 112 Cb 0.00 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1rw5 h ILE 112 CO 0.00 0.46 0.11 0.25 0.00 0.00 0.00 178.15 178.97 1rw5 h LEU 113 N 0.00 0.47 -0.78 1.44 6.46 -1.79 -1.22 115.31 119.89 1rw5 h LEU 113 Ca -0.00 -0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1rw5 h LEU 113 Cb 1.04 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.79 1rw5 h LEU 113 CO 0.06 0.46 0.45 0.28 -0.62 0.00 0.00 178.44 179.07 1rw5 h SER 114 N 0.51 0.67 0.25 1.25 0.02 -1.65 0.33 113.55 114.93 1rw5 h SER 114 Ca 0.12 0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.83 1rw5 h SER 114 Cb 0.17 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.63 1rw5 h SER 114 CO -0.01 0.41 -1.17 0.11 -1.14 0.00 0.00 176.83 175.04 1rw5 h LYS 115 N 0.80 0.52 -0.44 3.45 1.79 -1.61 -2.99 116.57 118.10 1rw5 h LYS 115 Ca 0.36 -0.68 -0.10 0.00 -2.18 0.00 0.00 60.65 58.04 1rw5 h LYS 115 Cb 0.25 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1rw5 h LYS 115 CO -0.20 1.29 -0.13 0.00 -1.08 0.00 0.00 179.45 179.33 1rw5 h ALA 116 N 0.45 0.95 -0.20 3.86 0.00 -0.54 0.53 119.26 124.30 1rw5 h ALA 116 Ca -0.15 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1rw5 h ALA 116 Cb 1.84 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1rw5 h ALA 116 CO 0.21 0.62 -0.63 -0.24 0.00 0.00 0.00 179.25 179.21 1rw5 h VAL 117 N 0.73 1.30 0.03 0.00 3.04 -0.44 -2.90 116.25 118.01 1rw5 h VAL 117 Ca 0.12 -1.86 -0.23 0.00 -1.01 0.00 0.00 66.70 63.72 1rw5 h VAL 117 Cb 0.62 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.69 1rw5 h VAL 117 CO 0.04 0.59 -1.13 1.05 -1.01 0.00 0.00 177.57 177.11 1rw5 h GLU 118 N 0.52 0.07 -0.44 4.17 4.11 -1.38 -3.19 114.58 118.44 1rw5 h GLU 118 Ca -0.01 -0.12 -0.12 0.00 0.07 0.00 0.00 59.36 59.18 1rw5 h GLU 118 Cb 1.22 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1rw5 h GLU 118 CO 0.13 1.01 -0.21 0.97 0.07 0.00 0.00 179.01 180.98 1rw5 h ILE 119 N 0.02 1.27 -0.05 -1.06 2.10 0.04 -1.19 117.51 118.63 1rw5 h ILE 119 Ca -0.07 -1.35 -0.09 0.00 1.08 0.00 0.00 64.86 64.43 1rw5 h ILE 119 Cb 1.84 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 38.71 1rw5 h ILE 119 CO 0.14 0.46 -0.38 -0.08 -1.08 0.00 0.00 178.15 177.22 1rw5 h GLU 120 N 0.78 0.11 0.01 2.19 4.81 -1.60 -2.51 114.58 118.36 1rw5 h GLU 120 Ca 0.11 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1rw5 h GLU 120 Cb 0.75 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.14 1rw5 h GLU 120 CO 0.06 0.47 -0.49 1.49 -0.73 0.00 0.00 179.01 179.81 1rw5 h GLU 121 N 0.09 0.31 -0.23 1.92 4.81 -1.46 -3.18 114.58 116.84 1rw5 h GLU 121 Ca 0.01 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.83 1rw5 h GLU 121 Cb 0.71 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1rw5 h GLU 121 CO 0.05 1.05 -0.11 1.96 -0.73 0.00 0.00 179.01 181.24 1rw5 h GLN 122 N -0.28 0.37 -0.40 1.92 1.08 -1.21 -2.43 115.11 114.17 1rw5 h GLN 122 Ca -0.06 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 1rw5 h GLN 122 Cb 1.23 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.60 1rw5 h GLN 122 CO 0.10 0.49 0.02 1.79 -0.95 0.00 0.00 178.83 180.27 1rw5 h THR 123 N 0.35 1.21 -0.03 -0.54 1.35 -1.51 -2.46 112.91 111.28 1rw5 h THR 123 Ca 0.07 -0.84 -0.17 0.00 -0.55 0.00 0.00 66.41 64.93 1rw5 h THR 123 Cb 0.41 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 1rw5 h THR 123 CO 0.02 0.29 -0.73 0.11 -0.25 0.00 0.00 175.52 174.97 1rw5 h LYS 124 N 0.60 0.19 -0.44 4.72 1.57 -1.42 -3.13 116.57 118.66 1rw5 h LYS 124 Ca 0.13 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1rw5 h LYS 124 Cb 0.35 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1rw5 h LYS 124 CO 0.01 0.83 0.27 0.00 -0.57 0.00 0.00 179.45 180.00 1rw5 h ARG 125 N 0.13 0.59 -0.76 3.15 2.47 -1.13 -1.37 114.38 117.46 1rw5 h ARG 125 Ca -0.02 -0.05 0.10 0.00 -1.26 0.00 0.00 59.98 58.76 1rw5 h ARG 125 Cb 1.28 -0.13 -0.05 0.00 -1.65 0.00 0.00 29.97 29.43 1rw5 h ARG 125 CO 0.11 0.42 0.50 -0.07 0.56 0.00 0.00 179.97 181.48 1rw5 h LEU 126 N 0.58 0.58 -0.41 3.04 3.38 -1.44 -1.11 115.31 119.93 1rw5 h LEU 126 Ca 0.16 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1rw5 h LEU 126 Cb -0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1rw5 h LEU 126 CO -0.03 0.34 0.22 -0.07 0.09 0.00 0.00 178.44 179.00 1rw5 h LEU 127 N 0.64 0.35 -0.53 1.67 3.38 -1.22 0.27 115.31 119.87 1rw5 h LEU 127 Ca 0.35 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 1rw5 h LEU 127 Cb 0.51 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 127 CO -0.13 0.25 0.25 -0.08 0.09 0.00 0.00 178.44 178.82 1rw5 h GLU 128 N 0.45 0.78 -0.46 1.13 4.81 -1.06 0.94 114.58 121.17 1rw5 h GLU 128 Ca 0.17 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1rw5 h GLU 128 Cb 0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1rw5 h GLU 128 CO -0.09 0.65 0.20 0.78 -0.73 0.00 0.00 179.01 179.82 1rw5 h GLY 129 N 0.72 0.70 0.90 1.92 0.00 -0.87 -1.67 103.07 104.75 1rw5 h GLY 129 Ca 0.18 -0.32 -0.24 0.00 0.00 0.00 0.00 47.33 46.94 1rw5 h GLY 129 CO -0.02 0.31 -1.07 -0.33 0.00 0.00 0.00 176.54 175.42 1rw5 h MET 130 N 0.65 0.39 -0.41 4.80 2.86 0.35 -2.33 114.93 121.24 1rw5 h MET 130 Ca 0.16 -0.67 -0.00 0.00 -2.06 0.00 0.00 59.70 57.13 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 -0.02 1.32 0.25 0.93 1.06 0.00 0.00 176.91 180.45 1rw5 h GLU 131 N -0.18 0.54 0.09 1.72 5.08 0.11 0.63 114.58 122.58 1rw5 h GLU 131 Ca -0.19 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 57.87 1rw5 h GLU 131 Cb 1.84 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1rw5 h GLU 131 CO 0.20 0.38 -1.22 1.37 -1.00 0.00 0.00 179.01 178.73 1rw5 h LEU 132 N 0.55 0.31 0.30 1.33 8.10 -1.39 -2.12 115.31 122.39 1rw5 h LEU 132 Ca 0.15 -0.34 -0.01 0.00 0.11 0.00 0.00 57.88 57.78 1rw5 h LEU 132 Cb -0.02 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.10 1rw5 h LEU 132 CO -0.03 1.27 -0.14 0.40 -4.11 0.00 0.00 178.44 175.83 1rw5 h ILE 133 N 0.05 0.65 -0.95 0.15 2.04 -0.68 -0.02 117.51 118.75 1rw5 h ILE 133 Ca -0.12 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.07 1rw5 h ILE 133 Cb 1.93 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.94 1rw5 h ILE 133 CO 0.18 0.13 0.62 1.62 0.00 0.00 0.00 178.15 180.70 1rw5 h VAL 134 N -0.83 1.13 0.00 1.67 3.04 0.11 0.75 116.25 122.12 1rw5 h VAL 134 Ca -0.04 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1rw5 h VAL 134 Cb 0.52 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.66 1rw5 h VAL 134 CO 0.07 0.21 0.00 0.77 -1.01 0.00 0.00 177.57 177.61 1rw5 h SER 135 N 1.16 0.00 0.03 3.17 4.64 -1.30 -0.01 113.55 121.25 1rw5 h SER 135 Ca 0.39 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 61.33 1rw5 h SER 135 Cb 0.07 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 1rw5 h SER 135 CO -0.13 0.00 -2.30 1.67 -0.87 0.00 0.00 176.83 175.20 1rw5 n GLN 136 N -2.80 0.67 -0.14 4.77 7.27 0.45 -3.00 117.38 124.59 1rw5 n GLN 136 Ca 0.01 0.21 -0.10 0.00 0.07 0.00 0.00 57.00 57.19 1rw5 n GLN 136 Cb 0.27 -1.58 -0.01 0.00 2.41 0.00 0.00 30.24 31.33 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1rw5 h VAL 137 N -0.15 1.26 -2.61 1.69 2.07 0.41 -3.36 116.25 115.55 1rw5 h VAL 137 Ca -0.54 -1.03 -0.60 0.00 0.82 0.00 0.00 66.70 65.34 1rw5 h VAL 137 Cb 1.87 1.11 -0.39 0.00 -1.52 0.00 0.00 31.29 32.35 1rw5 h VAL 137 CO -0.09 0.35 -0.84 -1.00 0.02 0.00 0.00 177.57 176.01 1rw5 s HIS 138 N -4.99 1.92 0.62 1.57 3.76 -0.02 -4.96 115.29 113.19 1rw5 s HIS 138 Ca -0.13 -2.66 0.29 0.00 -0.15 0.00 0.00 55.06 52.42 1rw5 s HIS 138 Cb 0.10 -1.52 1.54 0.00 1.11 0.00 0.00 32.58 33.81 1rw5 s HIS 138 CO 0.80 -0.73 1.91 -1.00 -0.85 0.00 0.00 174.74 174.87 1rw5 h PRO 139 N 5.59 0.00 -1.27 8.40 0.13 -1.69 -0.74 132.00 142.43 1rw5 h PRO 139 Ca 0.22 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.69 1rw5 h PRO 139 Cb 0.86 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.65 1rw5 h PRO 139 CO 0.49 0.00 0.27 0.39 -0.23 0.00 0.00 178.00 178.92 1rw5 n GLU 140 N -3.35 3.04 -1.68 0.86 -0.58 -1.26 -5.00 120.64 112.67 1rw5 n GLU 140 Ca 0.03 -3.75 -0.47 0.00 -0.42 0.00 0.00 57.16 52.55 1rw5 n GLU 140 Cb 0.52 -2.28 -0.04 0.00 -0.57 0.00 0.00 31.44 29.07 1rw5 n GLU 140 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1rw5 n THR 141 N -0.71 0.46 0.30 2.62 -1.04 -0.28 -4.88 114.28 110.75 1rw5 n THR 141 Ca 0.53 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 62.31 1rw5 n THR 141 Cb 0.63 -1.85 -0.07 0.00 -1.82 0.00 0.00 70.33 67.22 1rw5 n THR 141 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1rw5 h LYS 142 N 8.56 -0.77 -2.12 -2.82 1.57 -1.95 -3.44 116.57 115.60 1rw5 h LYS 142 Ca -0.48 0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.15 1rw5 h LYS 142 Cb 1.26 0.17 -0.32 0.00 0.08 0.00 0.00 32.23 33.43 1rw5 h LYS 142 CO 0.93 -0.47 -0.53 -1.83 -0.57 0.00 0.00 179.45 176.99 1rw5 s GLU 143 N -4.61 0.29 -0.02 3.15 -1.05 -1.26 -5.00 118.70 110.21 1rw5 s GLU 143 Ca -0.14 0.43 0.03 0.00 -0.15 0.00 0.00 54.97 55.14 1rw5 s GLU 143 Cb 0.02 -0.72 0.04 0.00 -0.44 0.00 0.00 34.13 33.03 1rw5 s GLU 143 CO 0.44 -0.64 0.91 0.27 0.95 0.00 0.00 175.26 177.19 1rw5 n ASN 144 N 5.35 0.48 -0.86 0.83 0.23 -1.26 -4.79 115.26 115.23 1rw5 n ASN 144 Ca -0.04 -1.94 0.08 0.00 -0.53 0.00 0.00 54.58 52.14 1rw5 n ASN 144 Cb 0.50 -0.18 0.24 0.00 -2.08 0.00 0.00 39.78 38.26 1rw5 n ASN 144 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1rw5 n GLU 145 N -0.25 2.97 -3.25 -3.83 0.28 -1.26 -4.59 120.64 110.71 1rw5 n GLU 145 Ca 0.02 -2.63 -0.39 0.00 -0.16 0.00 0.00 57.16 54.01 1rw5 n GLU 145 Cb 0.62 -1.70 -0.06 0.00 1.43 0.00 0.00 31.44 31.73 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 -2.30 4.81 0.20 3.84 1.01 -1.26 -5.00 121.20 122.50 1rw5 s ILE 146 Ca 0.37 1.22 -0.05 0.00 0.00 0.00 0.00 60.65 62.19 1rw5 s ILE 146 Cb 0.28 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1rw5 s ILE 146 CO 0.11 0.51 0.23 -0.72 0.00 0.00 0.00 174.94 175.07 1rw5 s TYR 147 N -0.77 0.86 0.69 3.97 -0.85 -1.26 -4.40 117.35 115.58 1rw5 s TYR 147 Ca 0.29 -1.14 -0.14 0.00 -0.52 0.00 0.00 57.07 55.56 1rw5 s TYR 147 Cb -0.19 -0.31 0.02 0.00 0.38 0.00 0.00 41.96 41.85 1rw5 s TYR 147 CO 0.18 -0.73 1.12 -2.14 -1.52 0.00 0.00 175.55 172.46 1rw5 s PRO 148 N -4.10 2.61 -0.24 -3.49 0.02 -1.26 -5.01 135.00 123.53 1rw5 s PRO 148 Ca 0.31 1.40 -0.14 0.00 0.02 0.00 0.00 61.00 62.60 1rw5 s PRO 148 Cb 0.05 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.60 1rw5 s PRO 148 CO 0.09 -1.40 0.33 0.14 -0.33 0.00 0.00 177.00 175.83 1rw5 s VAL 149 N -2.39 5.23 0.10 3.83 -7.23 -1.26 -4.90 120.40 113.78 1rw5 s VAL 149 Ca 0.67 0.52 -0.30 0.00 -1.81 0.00 0.00 61.98 61.06 1rw5 s VAL 149 Cb -0.21 -3.66 -0.06 0.00 0.56 0.00 0.00 36.38 33.01 1rw5 s VAL 149 CO 0.44 0.24 1.18 0.86 -0.31 0.00 0.00 175.10 177.51 1rw5 s TRP 150 N 1.55 3.47 0.00 2.82 -0.00 -1.26 -4.87 118.94 120.65 1rw5 s TRP 150 Ca 0.15 1.38 0.05 0.00 -0.00 0.00 0.00 56.10 57.67 1rw5 s TRP 150 Cb -0.15 -3.39 0.08 0.00 -0.00 0.00 0.00 33.47 30.01 1rw5 s TRP 150 CO 0.08 -1.13 0.93 0.45 -0.00 0.00 0.00 176.95 177.29 1rw5 n SER 151 N 3.47 -0.37 -1.99 5.86 2.88 -1.26 -5.13 113.62 117.08 1rw5 n SER 151 Ca 0.07 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 1rw5 n SER 151 Cb 0.46 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.09 0.14 3.26 0.46 0.00 -1.26 -4.69 105.19 103.20 1rw5 n GLY 152 Ca -0.14 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 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 -5.54 -4.69 0.99 4.77 -1.26 -4.80 117.00 106.46 1rw5 n LEU 153 Ca 0.00 -0.58 -0.53 0.00 -0.03 0.00 0.00 56.01 54.87 1rw5 n LEU 153 Cb 0.00 -3.11 -0.06 0.00 -2.33 0.00 0.00 43.42 37.92 1rw5 n LEU 153 CO 0.00 -0.19 1.42 -0.81 -1.33 0.00 0.00 177.39 176.48 1rw5 n PRO 154 N -2.92 1.62 -3.02 3.23 -0.04 -1.26 -2.62 135.00 129.98 1rw5 n PRO 154 Ca -0.06 0.59 -0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1rw5 n PRO 154 Cb 0.59 -2.36 0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1rw5 n PRO 154 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rw5 n SER 155 N 6.09 -7.45 -0.02 3.54 2.88 -1.26 -4.78 113.62 112.61 1rw5 n SER 155 Ca 0.25 0.27 0.21 0.00 -1.33 0.00 0.00 58.87 58.27 1rw5 n SER 155 Cb 0.21 -4.69 0.69 0.00 -0.75 0.00 0.00 64.21 59.67 1rw5 n SER 155 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1rw5 h LEU 156 N 1.66 0.00 -5.82 2.46 5.85 -1.85 -3.16 115.31 114.46 1rw5 h LEU 156 Ca -0.11 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.08 1rw5 h LEU 156 Cb 1.08 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.13 1rw5 h LEU 156 CO 0.23 0.00 2.66 0.00 -0.34 0.00 0.00 178.44 180.99 1rw5 n GLN 157 N -4.37 2.09 -4.60 1.25 6.02 -1.26 -4.86 117.38 111.65 1rw5 n GLN 157 Ca 0.11 -1.76 -0.33 0.00 -0.01 0.00 0.00 57.00 55.00 1rw5 n GLN 157 Cb 0.64 -2.72 -0.12 0.00 1.02 0.00 0.00 30.24 29.06 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rw5 s MET 158 N 3.84 3.19 -0.14 -1.09 -1.94 -1.20 -4.99 119.30 116.97 1rw5 s MET 158 Ca 0.49 -0.58 0.17 0.00 -1.71 0.00 0.00 55.69 54.06 1rw5 s MET 158 Cb 0.13 -2.69 0.38 0.00 2.01 0.00 0.00 34.83 34.65 1rw5 s MET 158 CO 0.01 0.42 1.25 0.00 -0.01 0.00 0.00 175.02 176.70 1rw5 n ALA 159 N 2.96 2.54 -2.21 3.03 0.00 -1.26 -4.90 120.51 120.66 1rw5 n ALA 159 Ca -0.18 -2.42 -0.41 0.00 0.00 0.00 0.00 53.44 50.43 1rw5 n ALA 159 Cb 0.53 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 1rw5 n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rw5 s ASP 160 N -2.41 7.39 0.42 0.00 1.01 -1.26 -4.93 116.67 116.89 1rw5 s ASP 160 Ca 0.35 1.91 0.19 0.00 0.71 0.00 0.00 52.55 55.70 1rw5 s ASP 160 Cb 0.29 -2.59 0.95 0.00 1.01 0.00 0.00 42.92 42.58 1rw5 s ASP 160 CO 0.05 -0.15 1.89 -0.33 0.21 0.00 0.00 175.17 176.85 1rw5 h GLU 161 N 5.51 0.00 0.00 8.23 5.08 -1.99 -2.76 114.58 128.65 1rw5 h GLU 161 Ca -0.43 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.70 1rw5 h GLU 161 Cb 1.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1rw5 h GLU 161 CO 0.73 0.28 -1.75 0.39 -1.00 0.00 0.00 179.01 177.66 1rw5 n GLU 162 N -3.86 0.56 -0.27 2.33 1.02 -1.26 -4.25 120.64 114.92 1rw5 n GLU 162 Ca -0.02 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1rw5 n GLU 162 Cb 0.36 -1.45 0.13 0.00 -0.02 0.00 0.00 31.44 30.46 1rw5 n GLU 162 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1rw5 h SER 163 N -0.99 0.64 -0.85 1.62 0.02 -1.98 -0.77 113.55 111.23 1rw5 h SER 163 Ca -0.34 0.03 0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1rw5 h SER 163 Cb 1.30 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 1rw5 h SER 163 CO -0.21 0.40 0.55 -0.09 -1.14 0.00 0.00 176.83 176.34 1rw5 h ARG 164 N 0.77 0.71 -0.93 3.45 9.65 -1.73 0.10 114.38 126.39 1rw5 h ARG 164 Ca 0.35 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.26 1rw5 h ARG 164 Cb 0.24 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.60 1rw5 h ARG 164 CO -0.20 0.47 0.60 -0.07 2.80 0.00 0.00 179.97 183.57 1rw5 h LEU 165 N 0.73 0.91 -1.23 3.80 3.38 -1.31 0.32 115.31 121.90 1rw5 h LEU 165 Ca 0.41 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.44 1rw5 h LEU 165 Cb 0.57 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1rw5 h LEU 165 CO -0.17 0.56 0.54 0.28 0.09 0.00 0.00 178.44 179.73 1rw5 h SER 166 N 1.01 0.84 -0.58 -0.43 0.02 -0.75 0.89 113.55 114.55 1rw5 h SER 166 Ca 0.42 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.45 1rw5 h SER 166 Cb 0.29 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 1rw5 h SER 166 CO -0.17 0.57 0.23 0.00 -1.14 0.00 0.00 176.83 176.31 1rw5 h ALA 167 N 1.53 0.75 0.00 3.77 0.00 -0.21 -2.06 119.26 123.04 1rw5 h ALA 167 Ca 0.34 0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.16 1rw5 h ALA 167 Cb 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1rw5 h ALA 167 CO -0.11 -0.17 -2.10 0.66 0.00 0.00 0.00 179.25 177.52 1rw5 n TYR 168 N -4.98 0.07 -0.30 0.00 4.01 -0.81 -3.68 117.16 111.47 1rw5 n TYR 168 Ca 0.08 0.02 -0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1rw5 n TYR 168 Cb 0.24 -0.74 0.07 0.00 -0.31 0.00 0.00 39.34 38.60 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 1.20 -0.16 -0.72 3.20 0.88 0.31 116.97 121.68 1rw5 h TYR 169 Ca -0.23 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.46 1rw5 h TYR 169 Cb 1.53 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1rw5 h TYR 169 CO 0.00 0.88 -0.35 -0.91 -1.64 0.00 0.00 178.16 176.15 1rw5 h ASN 170 N 1.17 0.58 0.18 -2.11 2.35 -1.55 -2.88 115.58 113.32 1rw5 h ASN 170 Ca 0.28 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 55.45 1rw5 h ASN 170 Cb 0.16 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1rw5 h ASN 170 CO -0.03 1.03 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.63 1rw5 h LEU 171 N 0.14 -0.21 -0.99 1.61 3.38 -1.58 -2.50 115.31 115.16 1rw5 h LEU 171 Ca 0.00 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 57.89 1rw5 h LEU 171 Cb 0.95 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1rw5 h LEU 171 CO 0.08 0.33 0.60 -0.07 0.09 0.00 0.00 178.44 179.47 1rw5 h LEU 172 N -0.99 0.84 0.11 1.67 3.38 -0.53 0.78 115.31 120.57 1rw5 h LEU 172 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1rw5 h LEU 172 Cb 0.42 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rw5 h LEU 172 CO 0.04 0.39 -0.05 -0.74 0.09 0.00 0.00 178.44 178.17 1rw5 h HIS 173 N 0.88 -0.14 -0.42 1.13 2.76 -1.60 -2.39 115.15 115.37 1rw5 h HIS 173 Ca 0.52 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.66 1rw5 h HIS 173 Cb 0.64 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 1rw5 h HIS 173 CO -0.01 0.26 0.16 0.00 -1.30 0.00 0.00 177.93 177.04 1rw5 h LEU 175 N 0.59 1.05 0.25 0.00 6.46 0.68 -0.67 115.31 123.69 1rw5 h LEU 175 Ca 0.15 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 1rw5 h LEU 175 Cb 0.13 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1rw5 h LEU 175 CO -0.01 0.73 -0.12 -0.09 -0.62 0.00 0.00 178.44 178.32 1rw5 h ARG 176 N 1.23 -0.33 -0.86 1.25 2.43 -0.76 0.56 114.38 117.90 1rw5 h ARG 176 Ca 0.38 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.68 1rw5 h ARG 176 Cb -0.02 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 1rw5 h ARG 176 CO -0.12 -0.22 0.49 0.00 -1.51 0.00 0.00 179.97 178.62 1rw5 h ARG 177 N -0.41 0.76 -0.34 0.20 3.08 -1.52 -0.81 114.38 115.35 1rw5 h ARG 177 Ca -0.03 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1rw5 h ARG 177 Cb 0.26 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1rw5 h ARG 177 CO 0.06 0.50 -0.19 0.22 -1.07 0.00 0.00 179.97 179.49 1rw5 h ASP 178 N 0.78 0.62 0.02 7.04 3.58 -1.15 -2.11 116.42 125.20 1rw5 h ASP 178 Ca 0.44 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1rw5 h ASP 178 Cb 0.47 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1rw5 h ASP 178 CO -0.28 0.82 -0.10 -1.28 -2.88 0.00 0.00 179.24 175.51 1rw5 h SER 179 N 0.56 0.18 -0.12 2.28 0.87 0.55 -1.65 113.55 116.23 1rw5 h SER 179 Ca 0.09 -0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 1rw5 h SER 179 Cb 0.63 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1rw5 h SER 179 CO 0.04 0.31 -0.64 -0.74 -0.53 0.00 0.00 176.83 175.28 1rw5 h HIS 180 N 0.19 0.95 -0.27 2.24 -0.00 -0.81 -2.51 115.15 114.94 1rw5 h HIS 180 Ca 0.04 -0.37 0.03 0.00 -0.00 0.00 0.00 60.37 60.07 1rw5 h HIS 180 Cb 0.31 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 1rw5 h HIS 180 CO 0.00 1.18 0.07 0.87 -0.00 0.00 0.00 177.93 180.05 1rw5 h LYS 181 N 0.54 0.17 -0.83 5.26 1.57 -0.68 0.88 116.57 123.47 1rw5 h LYS 181 Ca -0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1rw5 h LYS 181 Cb 1.23 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1rw5 h LYS 181 CO 0.13 0.11 0.55 0.82 -0.57 0.00 0.00 179.45 180.49 1rw5 h ILE 182 N 0.17 1.20 -0.58 1.86 2.04 -1.39 -1.39 117.51 119.42 1rw5 h ILE 182 Ca 0.12 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 1rw5 h ILE 182 Cb 0.11 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1rw5 h ILE 182 CO -0.15 0.20 0.03 -0.78 0.00 0.00 0.00 178.15 177.45 1rw5 h ASP 183 N 1.11 0.95 -0.77 1.72 1.82 -0.78 -3.02 116.42 117.45 1rw5 h ASP 183 Ca 0.31 -0.24 0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1rw5 h ASP 183 Cb -0.10 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.61 1rw5 h ASP 183 CO -0.08 0.99 0.50 -1.13 -1.61 0.00 0.00 179.24 177.91 1rw5 h ASN 184 N 0.91 0.85 -0.65 2.28 -1.24 0.18 -2.83 115.58 115.08 1rw5 h ASN 184 Ca 0.17 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.13 1rw5 h ASN 184 Cb 0.49 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.31 1rw5 h ASN 184 CO 0.02 0.60 0.26 1.88 -1.29 0.00 0.00 177.43 178.91 1rw5 h TYR 185 N 1.00 0.99 -0.81 0.67 0.05 -1.28 -2.42 116.97 115.17 1rw5 h TYR 185 Ca 0.29 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 59.04 1rw5 h TYR 185 Cb -0.07 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.33 1rw5 h TYR 185 CO -0.02 0.77 0.53 -0.07 -1.05 0.00 0.00 178.16 178.32 1rw5 h LEU 186 N 0.91 0.84 -0.56 3.88 3.38 -1.49 0.46 115.31 122.73 1rw5 h LEU 186 Ca 0.22 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1rw5 h LEU 186 Cb 0.20 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1rw5 h LEU 186 CO -0.02 0.56 0.35 0.50 0.09 0.00 0.00 178.44 179.93 1rw5 h LYS 187 N 0.96 0.68 -0.15 1.13 1.63 -1.29 0.30 116.57 119.84 1rw5 h LYS 187 Ca 0.33 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 60.00 1rw5 h LYS 187 Cb 0.09 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1rw5 h LYS 187 CO -0.10 0.45 -0.25 -0.07 -3.45 0.00 0.00 179.45 176.03 1rw5 h LEU 188 N 0.70 0.48 -1.47 5.20 3.38 -1.00 -3.08 115.31 119.52 1rw5 h LEU 188 Ca 0.22 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1rw5 h LEU 188 Cb -0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1rw5 h LEU 188 CO -0.08 0.92 0.40 0.25 0.09 0.00 0.00 178.44 180.02 1rw5 h LEU 189 N 0.05 0.59 -0.50 1.67 5.85 0.26 -2.08 115.31 121.15 1rw5 h LEU 189 Ca 0.01 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1rw5 h LEU 189 Cb 0.83 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1rw5 h LEU 189 CO 0.06 0.40 0.15 0.50 -0.34 0.00 0.00 178.44 179.21 1rw5 h LYS 190 N 0.68 0.31 0.00 1.25 3.64 -0.31 0.94 116.57 123.08 1rw5 h LYS 190 Ca 0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1rw5 h LYS 190 Cb 0.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1rw5 h LYS 190 CO -0.07 0.20 0.00 0.00 -2.27 0.00 0.00 179.45 177.31 1rw5 n ARG 192 N -2.19 2.15 0.11 0.00 1.74 0.42 -3.34 116.66 115.55 1rw5 n ARG 192 Ca -0.00 -0.02 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 1rw5 n ARG 192 Cb 0.09 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.15 0.00 0.55 2.10 0.95 -3.41 117.51 118.85 1rw5 h ILE 193 Ca -0.14 -2.60 0.00 0.00 1.08 0.00 0.00 64.86 63.20 1rw5 h ILE 193 Cb 1.15 2.55 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 1rw5 h ILE 193 CO 0.01 0.65 -0.56 -0.38 -1.08 0.00 0.00 178.15 176.79 1rw5 n ILE 194 N -3.28 0.00 -4.39 2.19 5.41 -0.88 -4.88 119.36 113.53 1rw5 n ILE 194 Ca 0.01 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.52 1rw5 n ILE 194 Cb 0.80 -0.49 -0.04 0.00 -0.71 0.00 0.00 39.64 39.19 1rw5 n ILE 194 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1rw5 n HIS 195 N -1.51 0.50 -0.11 1.39 8.25 -1.17 -5.07 115.22 117.50 1rw5 n HIS 195 Ca 0.00 -1.91 -0.16 0.00 -0.26 0.00 0.00 57.72 55.38 1rw5 n HIS 195 Cb 0.28 -0.28 -0.09 0.00 1.12 0.00 0.00 29.99 31.01 1rw5 n HIS 195 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1rw5 n ASN 196 N -1.40 2.22 -3.73 0.41 3.02 -1.21 -3.84 115.26 110.73 1rw5 n ASN 196 Ca -0.13 -0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.10 1rw5 n ASN 196 Cb 0.50 -0.39 -0.16 0.00 -0.61 0.00 0.00 39.78 39.11 1rw5 n ASN 196 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1rw5 s ASN 197 N -6.22 3.08 -0.01 6.41 2.47 -1.26 -4.79 114.94 114.62 1rw5 s ASN 197 Ca -0.29 -0.94 0.00 0.00 0.42 0.00 0.00 52.86 52.06 1rw5 s ASN 197 Cb 0.08 -0.63 0.01 0.00 -1.45 0.00 0.00 41.25 39.26 1rw5 s ASN 197 CO 0.47 -0.32 0.61 -3.20 -3.72 0.00 0.00 177.10 170.93 1rw5 n ASN 198 N 5.02 -0.59 0.00 -4.21 2.85 -1.26 -5.05 115.26 112.02 1rw5 n ASN 198 Ca -0.08 -1.18 0.00 0.00 -0.11 0.00 0.00 54.58 53.21 1rw5 n ASN 198 Cb 0.46 0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.67 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15