#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 3.17 -0.09 1.96 0.04 -1.26 -5.03 135.00 133.79 1rw5 s PRO 2 Ca 0.00 1.93 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1rw5 s PRO 2 Cb 0.00 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1rw5 s PRO 2 CO 0.00 -1.07 -0.14 0.42 0.04 0.00 0.00 177.00 176.25 1rw5 s ILE 3 N -1.50 3.03 -0.97 0.56 1.09 -1.26 -4.71 121.20 117.44 1rw5 s ILE 3 Ca 0.73 -0.70 -0.08 0.00 -1.10 0.00 0.00 60.65 59.50 1rw5 s ILE 3 Cb -0.33 -2.23 -0.03 0.00 -1.06 0.00 0.00 42.46 38.82 1rw5 s ILE 3 CO 0.37 0.55 0.79 0.00 -0.10 0.00 0.00 174.94 176.56 1rw5 s PRO 5 N -4.54 4.21 -1.04 0.00 0.04 -1.26 -2.36 135.00 130.06 1rw5 s PRO 5 Ca 0.29 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1rw5 s PRO 5 Cb -0.07 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1rw5 s PRO 5 CO 0.79 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.59 1rw5 n GLY 6 N 3.86 0.57 3.05 0.56 0.00 -1.26 -3.65 105.19 108.32 1rw5 n GLY 6 Ca 0.15 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.33 -1.20 3.68 -0.02 0.00 -0.99 -4.86 105.19 100.46 1rw5 n GLY 7 Ca -0.12 0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.93 1rw5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw5 n ALA 8 N -2.01 1.15 -0.11 4.61 0.00 -1.24 -4.83 120.51 118.08 1rw5 n ALA 8 Ca -0.01 0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.85 1rw5 n ALA 8 Cb 0.52 -2.26 0.34 0.00 0.00 0.00 0.00 19.45 18.05 1rw5 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rw5 h ALA 9 N 3.69 1.60 -0.98 0.00 0.00 -1.94 -0.51 119.26 121.12 1rw5 h ALA 9 Ca -0.45 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1rw5 h ALA 9 Cb 1.28 -0.23 -0.31 0.00 0.00 0.00 0.00 17.79 18.52 1rw5 h ALA 9 CO 0.72 0.37 0.58 -2.13 0.00 0.00 0.00 179.25 178.79 1rw5 n ARG 10 N -4.45 2.87 -1.65 0.00 0.63 -1.26 -5.01 116.66 107.78 1rw5 n ARG 10 Ca 0.06 -3.51 -0.44 0.00 -0.92 0.00 0.00 57.85 53.04 1rw5 n ARG 10 Cb 0.06 -2.28 -0.02 0.00 0.45 0.00 0.00 32.46 30.66 1rw5 n ARG 10 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1rw5 s GLN 12 N -1.04 4.04 0.10 0.00 -2.07 -1.26 -5.01 119.66 114.42 1rw5 s GLN 12 Ca 0.63 2.52 0.07 0.00 -1.82 0.00 0.00 55.36 56.76 1rw5 s GLN 12 Cb -0.66 -2.91 -0.03 0.00 -1.09 0.00 0.00 33.01 28.32 1rw5 s GLN 12 CO 0.55 -0.57 -0.17 0.14 -1.32 0.00 0.00 175.29 173.92 1rw5 s VAL 13 N -1.14 1.45 0.25 3.63 -7.23 -1.26 -5.02 120.40 111.08 1rw5 s VAL 13 Ca 0.54 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 1rw5 s VAL 13 Cb -0.46 -1.42 -0.09 0.00 0.56 0.00 0.00 36.38 34.98 1rw5 s VAL 13 CO 0.61 -0.20 1.11 -0.89 -0.31 0.00 0.00 175.10 175.42 1rw5 s THR 14 N -1.45 3.59 0.36 5.32 2.01 -1.26 -4.91 115.64 119.29 1rw5 s THR 14 Ca 0.05 1.52 0.05 0.00 0.31 0.00 0.00 61.69 63.61 1rw5 s THR 14 Cb -0.09 -3.97 0.28 0.00 0.01 0.00 0.00 72.50 68.74 1rw5 s THR 14 CO 0.04 0.33 1.98 -0.07 -0.69 0.00 0.00 174.62 176.20 1rw5 h LEU 15 N 4.25 0.68 0.19 4.42 3.38 -1.99 -2.11 115.31 124.12 1rw5 h LEU 15 Ca -0.46 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.21 1rw5 h LEU 15 Cb 1.21 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.83 1rw5 h LEU 15 CO 0.69 0.46 -1.41 0.08 0.09 0.00 0.00 178.44 178.35 1rw5 h ARG 16 N 0.78 0.40 0.67 1.13 0.11 -1.91 -3.08 114.38 112.48 1rw5 h ARG 16 Ca 0.28 -0.69 -0.03 0.00 0.10 0.00 0.00 59.98 59.64 1rw5 h ARG 16 Cb 0.13 0.26 0.01 0.00 1.11 0.00 0.00 29.97 31.48 1rw5 h ARG 16 CO -0.08 1.33 -0.32 0.22 0.10 0.00 0.00 179.97 181.22 1rw5 h ASP 17 N -0.05 -0.76 -0.42 0.08 3.58 -1.88 0.72 116.42 117.68 1rw5 h ASP 17 Ca -0.27 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.15 1rw5 h ASP 17 Cb 1.97 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 43.20 1rw5 h ASP 17 CO 0.19 -0.54 0.06 0.25 -2.88 0.00 0.00 179.24 176.32 1rw5 h LEU 18 N -0.90 0.68 -0.50 2.28 6.46 -1.57 -2.17 115.31 119.59 1rw5 h LEU 18 Ca -0.09 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.33 1rw5 h LEU 18 Cb 0.69 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1rw5 h LEU 18 CO 0.15 0.78 0.04 0.15 -0.62 0.00 0.00 178.44 178.95 1rw5 h PHE 19 N 0.56 0.93 -0.76 1.25 3.57 -1.50 -1.75 116.94 119.24 1rw5 h PHE 19 Ca 0.13 -0.14 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1rw5 h PHE 19 Cb 0.40 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1rw5 h PHE 19 CO 0.03 0.86 0.50 0.22 -2.23 0.00 0.00 178.31 177.68 1rw5 h ASP 20 N 0.73 0.58 -0.46 0.41 3.58 0.64 0.23 116.42 122.13 1rw5 h ASP 20 Ca 0.15 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 1rw5 h ASP 20 Cb 0.46 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1rw5 h ASP 20 CO 0.02 0.34 -0.20 -0.09 -2.88 0.00 0.00 179.24 176.42 1rw5 h ARG 21 N 0.64 0.95 -0.27 0.28 2.43 -0.80 -2.05 114.38 115.57 1rw5 h ARG 21 Ca 0.36 -0.41 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1rw5 h ARG 21 Cb 0.52 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1rw5 h ARG 21 CO -0.13 1.07 -0.14 0.00 -1.51 0.00 0.00 179.97 179.26 1rw5 h ALA 22 N 0.85 1.27 -0.20 2.80 0.00 0.13 0.78 119.26 124.89 1rw5 h ALA 22 Ca 0.11 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1rw5 h ALA 22 Cb 0.78 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1rw5 h ALA 22 CO 0.06 0.48 -0.14 0.28 0.00 0.00 0.00 179.25 179.94 1rw5 h VAL 23 N 0.42 1.32 -0.04 0.00 2.07 -0.42 -2.64 116.25 116.96 1rw5 h VAL 23 Ca 0.08 -1.24 -0.23 0.00 0.82 0.00 0.00 66.70 66.13 1rw5 h VAL 23 Cb 0.49 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1rw5 h VAL 23 CO 0.03 0.38 -0.90 0.58 0.02 0.00 0.00 177.57 177.68 1rw5 h VAL 24 N 0.12 1.35 -0.58 2.57 2.07 -1.16 -3.15 116.25 117.48 1rw5 h VAL 24 Ca 0.04 -2.27 0.08 0.00 0.82 0.00 0.00 66.70 65.37 1rw5 h VAL 24 Cb 0.65 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1rw5 h VAL 24 CO 0.04 0.69 0.39 0.25 0.02 0.00 0.00 177.57 178.95 1rw5 h LEU 25 N 0.32 0.39 -1.68 2.57 5.85 0.59 -0.28 115.31 123.07 1rw5 h LEU 25 Ca -0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1rw5 h LEU 25 Cb 1.52 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1rw5 h LEU 25 CO 0.16 0.24 -0.17 0.77 -0.34 0.00 0.00 178.44 179.10 1rw5 h SER 26 N 0.44 0.00 0.62 1.25 4.64 -1.42 -2.02 113.55 117.06 1rw5 h SER 26 Ca 0.26 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.44 1rw5 h SER 26 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1rw5 h SER 26 CO -0.07 0.17 -0.65 0.45 -0.87 0.00 0.00 176.83 175.86 1rw5 h HIS 27 N 0.00 0.04 -0.06 4.77 3.86 -1.16 -3.13 115.15 119.47 1rw5 h HIS 27 Ca -0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1rw5 h HIS 27 Cb 0.32 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1rw5 h HIS 27 CO 0.00 0.67 0.04 -0.92 0.86 0.00 0.00 177.93 178.58 1rw5 h TYR 28 N 0.02 0.08 -0.21 2.45 3.20 -1.30 -1.49 116.97 119.72 1rw5 h TYR 28 Ca -0.01 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1rw5 h TYR 28 Cb 1.16 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1rw5 h TYR 28 CO 0.00 0.06 0.14 0.82 -1.64 0.00 0.00 178.16 177.55 1rw5 h ILE 29 N 0.07 1.00 -0.25 1.81 2.04 -1.55 -0.85 117.51 119.78 1rw5 h ILE 29 Ca 0.02 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1rw5 h ILE 29 Cb 0.00 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1rw5 h ILE 29 CO -0.00 0.03 0.14 -0.74 0.00 0.00 0.00 178.15 177.58 1rw5 h HIS 30 N 0.19 0.27 -0.40 1.37 2.76 -1.23 0.43 115.15 118.53 1rw5 h HIS 30 Ca 0.09 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1rw5 h HIS 30 Cb 0.12 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1rw5 h HIS 30 CO -0.00 0.16 0.15 -0.97 -1.30 0.00 0.00 177.93 175.98 1rw5 h ASN 31 N 0.30 0.56 0.72 3.26 -0.73 -0.80 0.57 115.58 119.46 1rw5 h ASN 31 Ca 0.10 -0.17 -0.03 0.00 1.87 0.00 0.00 56.30 58.06 1rw5 h ASN 31 Cb -0.01 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1rw5 h ASN 31 CO -0.04 0.58 -0.40 -0.07 -0.37 0.00 0.00 177.43 177.13 1rw5 h LEU 32 N 0.50 -0.99 -1.59 0.34 3.38 -0.67 0.55 115.31 116.83 1rw5 h LEU 32 Ca 0.13 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1rw5 h LEU 32 Cb 0.20 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1rw5 h LEU 32 CO -0.01 -0.65 0.08 0.77 0.09 0.00 0.00 178.44 178.73 1rw5 h SER 33 N -1.05 0.31 0.44 -0.43 4.64 -0.10 0.49 113.55 117.86 1rw5 h SER 33 Ca -0.09 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1rw5 h SER 33 Cb 0.83 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1rw5 h SER 33 CO 0.12 0.31 -0.21 -1.28 -0.87 0.00 0.00 176.83 174.90 1rw5 h SER 34 N 0.35 -0.51 -0.44 4.97 0.87 0.74 -2.71 113.55 116.81 1rw5 h SER 34 Ca 0.09 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 1rw5 h SER 34 Cb 0.11 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1rw5 h SER 34 CO -0.01 -0.16 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.60 1rw5 h GLU 35 N -1.01 0.92 -0.59 2.24 5.08 0.14 -2.29 114.58 119.07 1rw5 h GLU 35 Ca -0.06 -0.40 0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1rw5 h GLU 35 Cb 0.46 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1rw5 h GLU 35 CO 0.10 1.05 0.27 1.98 -1.00 0.00 0.00 179.01 181.42 1rw5 h MET 36 N 0.75 0.49 -0.35 2.33 4.05 -0.13 0.28 114.93 122.35 1rw5 h MET 36 Ca 0.10 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 1rw5 h MET 36 Cb 0.77 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1rw5 h MET 36 CO 0.06 0.32 -0.07 0.35 0.23 0.00 0.00 176.91 177.80 1rw5 h PHE 37 N 0.50 0.75 -0.64 1.39 3.57 -1.41 -2.73 116.94 118.37 1rw5 h PHE 37 Ca 0.28 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1rw5 h PHE 37 Cb 0.27 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1rw5 h PHE 37 CO -0.12 0.82 0.41 0.77 -2.23 0.00 0.00 178.31 177.95 1rw5 h SER 38 N 0.46 0.68 -0.90 0.41 0.02 -0.76 0.91 113.55 114.36 1rw5 h SER 38 Ca 0.09 -0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1rw5 h SER 38 Cb 0.57 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1rw5 h SER 38 CO 0.03 0.48 0.59 -0.33 -1.14 0.00 0.00 176.83 176.45 1rw5 h GLU 39 N 0.81 1.11 0.01 3.45 5.08 -0.87 -0.48 114.58 123.69 1rw5 h GLU 39 Ca 0.25 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1rw5 h GLU 39 Cb -0.01 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.98 1rw5 h GLU 39 CO -0.09 0.74 -0.01 0.35 -1.00 0.00 0.00 179.01 179.00 1rw5 h PHE 40 N 1.15 -0.02 -0.95 4.33 3.57 -1.01 -2.15 116.94 121.86 1rw5 h PHE 40 Ca 0.35 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.05 1rw5 h PHE 40 Cb -0.02 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 38.61 1rw5 h PHE 40 CO -0.01 0.64 0.52 0.22 -2.23 0.00 0.00 178.31 177.45 1rw5 h ASP 41 N -0.69 0.61 0.16 0.41 3.58 0.11 0.23 116.42 120.83 1rw5 h ASP 41 Ca -0.00 0.11 -0.28 0.00 0.42 0.00 0.00 57.03 57.28 1rw5 h ASP 41 Cb 0.66 0.02 0.03 0.00 1.72 0.00 0.00 39.33 41.76 1rw5 h ASP 41 CO 0.00 0.17 -1.19 0.50 -2.88 0.00 0.00 179.24 175.85 1rw5 h LYS 42 N 0.62 0.52 -0.17 0.28 1.63 -1.14 0.51 116.57 118.83 1rw5 h LYS 42 Ca 0.56 -0.78 -0.11 0.00 -0.85 0.00 0.00 60.65 59.47 1rw5 h LYS 42 Cb 0.94 0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 1rw5 h LYS 42 CO -0.43 1.36 -0.38 0.00 -3.45 0.00 0.00 179.45 176.55 1rw5 h ARG 43 N 0.08 0.36 0.00 1.90 3.08 -0.63 -3.14 114.38 116.04 1rw5 h ARG 43 Ca -0.19 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1rw5 h ARG 43 Cb 1.90 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.94 1rw5 h ARG 43 CO 0.23 0.69 -0.38 0.66 -1.07 0.00 0.00 179.97 180.10 1rw5 n TYR 44 N -4.04 0.00 -1.91 3.04 4.02 0.74 -4.78 117.16 114.23 1rw5 n TYR 44 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.92 1rw5 n TYR 44 Cb 0.47 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.89 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 -1.17 0.95 -0.32 -0.72 -2.24 0.15 -4.80 114.28 106.14 1rw5 n THR 45 Ca 0.00 -1.67 0.09 0.00 -2.27 0.00 0.00 64.05 60.21 1rw5 n THR 45 Cb 0.00 0.34 0.26 0.00 -2.10 0.00 0.00 70.33 68.83 1rw5 n THR 45 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1rw5 h HIS 46 N 0.64 0.87 -0.22 4.78 2.76 -0.85 -3.32 115.15 119.81 1rw5 h HIS 46 Ca -0.08 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.91 1rw5 h HIS 46 Cb 1.39 -0.25 -0.25 0.00 1.55 0.00 0.00 27.41 29.86 1rw5 h HIS 46 CO 0.30 0.20 -0.62 0.41 -1.30 0.00 0.00 177.93 176.92 1rw5 n GLY 47 N -1.33 1.82 0.35 5.26 0.00 -1.26 -4.94 105.19 105.10 1rw5 n GLY 47 Ca 0.19 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 1rw5 n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rw5 h ARG 48 N 1.80 1.22 0.00 1.61 2.47 -1.87 -3.46 114.38 116.15 1rw5 h ARG 48 Ca -0.30 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 1rw5 h ARG 48 Cb 1.28 -0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1rw5 h ARG 48 CO 0.00 0.81 0.00 0.41 0.56 0.00 0.00 179.97 181.75 1rw5 n GLY 49 N -1.35 2.84 0.59 0.04 0.00 -1.26 -4.81 105.19 101.24 1rw5 n GLY 49 Ca 0.10 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.43 -4.76 1.61 -1.74 -1.26 -4.82 117.46 106.92 1rw5 n PHE 50 Ca 0.00 -0.19 -0.33 0.00 -0.56 0.00 0.00 57.45 56.37 1rw5 n PHE 50 Cb 0.00 -0.05 -0.13 0.00 1.52 0.00 0.00 39.48 40.82 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 -1.64 3.24 -0.03 1.97 -4.36 -1.26 -5.11 121.20 114.00 1rw5 s ILE 51 Ca 0.18 -0.62 0.05 0.00 -0.26 0.00 0.00 60.65 59.99 1rw5 s ILE 51 Cb 0.10 -2.33 -0.01 0.00 1.25 0.00 0.00 42.46 41.48 1rw5 s ILE 51 CO 0.11 0.56 -0.17 -0.89 0.24 0.00 0.00 174.94 174.78 1rw5 s THR 52 N -0.19 1.40 0.37 8.37 2.01 -1.26 -5.02 115.64 121.32 1rw5 s THR 52 Ca 0.01 -0.72 0.04 0.00 0.31 0.00 0.00 61.69 61.33 1rw5 s THR 52 Cb -0.13 -1.19 0.27 0.00 0.01 0.00 0.00 72.50 71.46 1rw5 s THR 52 CO 0.03 0.40 2.01 0.50 -0.69 0.00 0.00 174.62 176.87 1rw5 h LYS 53 N 6.09 0.75 -6.20 4.92 3.64 -2.02 -3.39 116.57 120.37 1rw5 h LYS 53 Ca -0.34 -0.05 -0.57 0.00 -1.27 0.00 0.00 60.65 58.43 1rw5 h LYS 53 Cb 1.17 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1rw5 h LYS 53 CO 0.48 0.50 1.32 0.00 -2.27 0.00 0.00 179.45 179.47 1rw5 s ALA 54 N -5.67 2.78 -0.09 5.00 0.00 -1.26 -4.96 121.76 117.56 1rw5 s ALA 54 Ca -0.10 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1rw5 s ALA 54 Cb 0.18 -4.05 0.01 0.00 0.00 0.00 0.00 23.12 19.26 1rw5 s ALA 54 CO 0.76 -2.77 -0.19 0.42 0.00 0.00 0.00 175.76 173.98 1rw5 s ILE 55 N 7.32 1.68 -0.20 0.00 -1.09 -1.26 -5.00 121.20 122.66 1rw5 s ILE 55 Ca 0.82 -0.79 0.14 0.00 -2.23 0.00 0.00 60.65 58.59 1rw5 s ILE 55 Cb -0.23 -1.49 0.41 0.00 -1.58 0.00 0.00 42.46 39.57 1rw5 s ILE 55 CO 0.33 0.48 1.27 0.59 -1.23 0.00 0.00 174.94 176.38 1rw5 n ASN 56 N 3.77 2.33 -4.29 3.58 3.02 -1.26 -5.00 115.26 117.40 1rw5 n ASN 56 Ca -0.20 -3.52 -0.32 0.00 -0.03 0.00 0.00 54.58 50.51 1rw5 n ASN 56 Cb 0.52 -0.52 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rw5 s SER 57 N -2.83 3.17 -0.28 6.41 0.15 -1.26 -5.11 113.70 113.95 1rw5 s SER 57 Ca 0.38 -0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.40 1rw5 s SER 57 Cb 0.35 -0.79 0.10 0.00 -1.71 0.00 0.00 66.02 63.96 1rw5 s SER 57 CO -0.01 0.26 0.74 0.00 1.20 0.00 0.00 173.24 175.43 1rw5 h HIS 59 N 6.98 1.22 0.00 0.00 3.86 -1.97 -0.02 115.15 125.22 1rw5 h HIS 59 Ca -0.28 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1rw5 h HIS 59 Cb 1.21 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1rw5 h HIS 59 CO 0.08 0.66 0.00 0.25 0.86 0.00 0.00 177.93 179.77 1rw5 n THR 60 N -4.48 0.12 -0.02 2.45 -2.24 -1.26 -3.46 114.28 105.40 1rw5 n THR 60 Ca 0.15 0.03 0.17 0.00 -2.27 0.00 0.00 64.05 62.13 1rw5 n THR 60 Cb 0.15 -0.65 0.63 0.00 -2.10 0.00 0.00 70.33 68.36 1rw5 n THR 60 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1rw5 h SER 61 N 0.00 0.12 -0.36 3.42 0.02 -1.39 0.21 113.55 115.57 1rw5 h SER 61 Ca 0.00 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1rw5 h SER 61 Cb 0.10 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1rw5 h SER 61 CO 0.00 0.07 0.26 0.28 -1.14 0.00 0.00 176.83 176.30 1rw5 h SER 62 N 0.13 0.00 -4.09 3.07 0.02 -1.76 -3.42 113.55 107.50 1rw5 h SER 62 Ca 0.25 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.65 1rw5 h SER 62 Cb 0.83 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.52 1rw5 h SER 62 CO -0.03 0.00 0.54 -0.76 -1.14 0.00 0.00 176.83 175.44 1rw5 s LEU 63 N -8.79 3.65 -0.83 5.07 2.01 0.74 -4.86 118.68 115.66 1rw5 s LEU 63 Ca -0.05 2.66 -0.06 0.00 0.01 0.00 0.00 54.13 56.69 1rw5 s LEU 63 Cb 0.19 -4.53 0.01 0.00 0.01 0.00 0.00 46.19 41.86 1rw5 s LEU 63 CO 0.70 -1.88 2.81 0.00 1.01 0.00 0.00 176.35 178.99 1rw5 n ALA 64 N -1.67 6.72 -0.97 4.21 0.00 -1.26 -4.97 120.51 122.57 1rw5 n ALA 64 Ca 0.14 -3.27 -0.32 0.00 0.00 0.00 0.00 53.44 50.00 1rw5 n ALA 64 Cb 0.47 -2.55 0.13 0.00 0.00 0.00 0.00 19.45 17.50 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 -0.76 2.36 0.22 0.00 -4.23 -1.26 -4.89 115.64 107.07 1rw5 s THR 65 Ca 0.60 0.13 -0.32 0.00 -1.18 0.00 0.00 61.69 60.92 1rw5 s THR 65 Cb 0.28 -2.38 -0.13 0.00 1.34 0.00 0.00 72.50 71.61 1rw5 s THR 65 CO -0.12 -0.14 1.58 -0.81 -0.54 0.00 0.00 174.62 174.59 1rw5 n PRO 66 N -3.71 2.41 -0.10 3.99 -0.04 -1.26 -4.91 135.00 131.37 1rw5 n PRO 66 Ca 0.12 0.86 -0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1rw5 n PRO 66 Cb 0.52 -2.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.31 1rw5 n PRO 66 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1rw5 h GLU 67 N 5.53 0.58 -4.42 0.54 4.81 -1.91 -3.47 114.58 116.24 1rw5 h GLU 67 Ca -0.45 -0.22 -0.28 0.00 -0.13 0.00 0.00 59.36 58.28 1rw5 h GLU 67 Cb 1.24 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.47 1rw5 h GLU 67 CO 0.86 0.78 -0.41 -0.51 -0.73 0.00 0.00 179.01 178.99 1rw5 s ASP 68 N -6.19 0.68 0.24 1.04 1.01 -1.26 -5.02 116.67 107.18 1rw5 s ASP 68 Ca -0.13 -1.44 -0.06 0.00 0.71 0.00 0.00 52.55 51.63 1rw5 s ASP 68 Cb 0.08 0.52 0.24 0.00 1.01 0.00 0.00 42.92 44.78 1rw5 s ASP 68 CO 0.78 -1.05 1.90 0.11 0.21 0.00 0.00 175.17 177.13 1rw5 h LYS 69 N 2.32 1.30 -0.50 8.23 1.57 -2.00 -1.07 116.57 126.42 1rw5 h LYS 69 Ca -0.30 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1rw5 h LYS 69 Cb 1.24 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1rw5 h LYS 69 CO 0.43 0.89 0.17 1.49 -0.57 0.00 0.00 179.45 181.86 1rw5 h GLU 70 N 1.33 0.77 -0.07 3.15 4.81 -2.00 -2.23 114.58 120.35 1rw5 h GLU 70 Ca 0.35 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1rw5 h GLU 70 Cb -0.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1rw5 h GLU 70 CO -0.07 0.71 -0.22 0.37 -0.73 0.00 0.00 179.01 179.07 1rw5 h GLN 71 N 0.68 0.11 -1.00 1.92 4.15 -1.84 -2.40 115.11 116.73 1rw5 h GLN 71 Ca 0.16 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.66 1rw5 h GLN 71 Cb 0.25 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.85 1rw5 h GLN 71 CO -0.01 0.34 0.63 0.00 -1.93 0.00 0.00 178.83 177.86 1rw5 h ALA 72 N 1.67 1.48 -0.73 3.38 0.00 -0.57 0.34 119.26 124.83 1rw5 h ALA 72 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1rw5 h ALA 72 Cb 0.46 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1rw5 h ALA 72 CO 0.03 0.26 0.27 0.37 0.00 0.00 0.00 179.25 180.19 1rw5 h GLN 73 N 1.02 1.09 -0.05 0.00 4.15 -1.38 -1.36 115.11 118.58 1rw5 h GLN 73 Ca 0.48 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 1rw5 h GLN 73 Cb 0.42 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1rw5 h GLN 73 CO -0.25 0.90 -0.17 1.96 -1.93 0.00 0.00 178.83 179.34 1rw5 h GLN 74 N 1.06 0.07 -6.80 1.69 4.20 -0.39 -3.43 115.11 111.51 1rw5 h GLN 74 Ca 0.24 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 58.39 1rw5 h GLN 74 Cb 0.23 -0.01 0.09 0.00 0.30 0.00 0.00 27.48 28.09 1rw5 h GLN 74 CO -0.02 0.24 0.78 -1.33 -0.67 0.00 0.00 178.83 177.84 1rw5 n MET 75 N -4.30 2.55 -1.40 1.46 2.81 0.12 -4.97 117.12 113.38 1rw5 n MET 75 Ca -0.02 0.90 -0.30 0.00 -1.81 0.00 0.00 57.70 56.48 1rw5 n MET 75 Cb 0.26 -2.63 0.12 0.00 -0.71 0.00 0.00 33.22 30.25 1rw5 n MET 75 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1rw5 s ASN 76 N 0.21 3.96 0.21 7.83 2.47 -1.26 -4.88 114.94 123.48 1rw5 s ASN 76 Ca 0.61 1.35 -0.09 0.00 0.42 0.00 0.00 52.86 55.14 1rw5 s ASN 76 Cb -0.52 -2.05 0.22 0.00 -1.45 0.00 0.00 41.25 37.46 1rw5 s ASN 76 CO 0.54 -2.31 1.84 1.56 -3.72 0.00 0.00 177.10 175.01 1rw5 h GLN 77 N -1.32 0.83 -0.22 0.43 1.08 -1.95 -1.27 115.11 112.68 1rw5 h GLN 77 Ca -0.48 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 56.58 1rw5 h GLN 77 Cb 1.28 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 1rw5 h GLN 77 CO 0.58 0.55 -0.22 0.87 -0.95 0.00 0.00 178.83 179.66 1rw5 h LYS 78 N 0.85 0.40 -0.95 1.46 1.57 -1.98 -2.15 116.57 115.78 1rw5 h LYS 78 Ca 0.30 -0.13 0.11 0.00 -1.87 0.00 0.00 60.65 59.05 1rw5 h LYS 78 Cb 0.07 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 1rw5 h LYS 78 CO -0.13 0.60 0.58 -0.44 -0.57 0.00 0.00 179.45 179.49 1rw5 h ASP 79 N 0.36 0.86 0.03 0.86 3.32 -1.57 0.83 116.42 121.11 1rw5 h ASP 79 Ca 0.06 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 1rw5 h ASP 79 Cb 0.59 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.02 1rw5 h ASP 79 CO 0.04 0.48 -0.41 -0.26 -1.72 0.00 0.00 179.24 177.37 1rw5 h PHE 80 N 0.95 0.35 -0.78 4.55 -1.00 -1.33 -2.78 116.94 116.90 1rw5 h PHE 80 Ca 0.46 -0.21 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 1rw5 h PHE 80 Cb 0.41 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.91 1rw5 h PHE 80 CO -0.02 1.07 0.47 -0.07 -1.61 0.00 0.00 178.31 178.15 1rw5 h LEU 81 N -0.47 0.94 -1.14 1.54 4.07 -0.89 -2.06 115.31 117.29 1rw5 h LEU 81 Ca -0.06 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.75 1rw5 h LEU 81 Cb 1.21 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1rw5 h LEU 81 CO 0.08 0.73 -0.36 0.77 -1.08 0.00 0.00 178.44 178.58 1rw5 h SER 82 N 1.07 0.12 -0.28 -0.43 4.64 0.58 -3.06 113.55 116.19 1rw5 h SER 82 Ca 0.28 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.37 1rw5 h SER 82 Cb -0.04 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1rw5 h SER 82 CO -0.05 0.48 -0.56 -0.07 -0.87 0.00 0.00 176.83 175.76 1rw5 h LEU 83 N 0.11 0.98 -0.01 5.97 3.38 -1.09 -3.14 115.31 121.51 1rw5 h LEU 83 Ca 0.01 -0.54 0.02 0.00 0.09 0.00 0.00 57.88 57.46 1rw5 h LEU 83 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1rw5 h LEU 83 CO 0.05 1.34 -0.13 0.40 0.09 0.00 0.00 178.44 180.19 1rw5 h ILE 84 N 0.66 0.68 -0.99 1.22 2.04 -1.31 -0.59 117.51 119.21 1rw5 h ILE 84 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1rw5 h ILE 84 Cb 1.17 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1rw5 h ILE 84 CO 0.12 0.00 0.64 1.62 0.00 0.00 0.00 178.15 180.54 1rw5 h VAL 85 N -0.22 1.26 -0.40 1.67 3.04 -1.64 -1.54 116.25 118.42 1rw5 h VAL 85 Ca 0.05 -0.48 -0.06 0.00 -1.01 0.00 0.00 66.70 65.19 1rw5 h VAL 85 Cb 0.28 -0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.35 1rw5 h VAL 85 CO -0.13 0.25 0.02 0.28 -1.01 0.00 0.00 177.57 176.97 1rw5 h SER 86 N 1.34 0.69 0.41 3.17 0.02 -1.40 -1.79 113.55 115.98 1rw5 h SER 86 Ca 0.36 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1rw5 h SER 86 Cb -0.14 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1rw5 h SER 86 CO -0.08 0.81 -0.20 0.40 -1.14 0.00 0.00 176.83 176.63 1rw5 h ILE 87 N 0.54 0.50 -0.86 3.27 2.04 -0.76 -1.81 117.51 120.43 1rw5 h ILE 87 Ca 0.12 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1rw5 h ILE 87 Cb 0.45 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1rw5 h ILE 87 CO 0.02 0.08 0.56 -0.07 0.00 0.00 0.00 178.15 178.74 1rw5 h LEU 88 N -0.89 0.97 -1.12 1.44 3.38 -1.36 -2.20 115.31 115.53 1rw5 h LEU 88 Ca -0.06 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1rw5 h LEU 88 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1rw5 h LEU 88 CO 0.09 0.70 -0.39 0.03 0.09 0.00 0.00 178.44 178.96 1rw5 h ARG 89 N 1.14 0.09 -0.36 1.13 3.08 -1.36 -2.77 114.38 115.34 1rw5 h ARG 89 Ca 0.32 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.36 1rw5 h ARG 89 Cb -0.11 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1rw5 h ARG 89 CO -0.08 0.47 0.24 0.66 -1.07 0.00 0.00 179.97 180.20 1rw5 h SER 90 N 0.08 0.33 1.22 7.04 4.64 -0.66 -0.90 113.55 125.29 1rw5 h SER 90 Ca 0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rw5 h SER 90 Cb 0.73 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1rw5 h SER 90 CO 0.05 0.23 -0.08 0.79 -0.87 0.00 0.00 176.83 176.95 1rw5 n TRP 91 N -4.49 0.56 -0.29 4.77 5.03 -1.05 -3.83 117.44 118.15 1rw5 n TRP 91 Ca 0.03 0.16 -0.01 0.00 3.03 0.00 0.00 57.50 60.72 1rw5 n TRP 91 Cb 0.15 -0.74 0.12 0.00 -1.03 0.00 0.00 31.31 29.81 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 0.81 0.22 -0.99 -0.73 -1.18 -1.31 115.58 112.40 1rw5 h ASN 92 Ca 0.00 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1rw5 h ASN 92 Cb 0.65 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.08 1rw5 h ASN 92 CO 0.00 0.54 -0.10 -0.08 -0.37 0.00 0.00 177.43 177.41 1rw5 h GLU 93 N 0.95 -0.28 -0.71 6.67 4.81 -1.71 -3.05 114.58 121.26 1rw5 h GLU 93 Ca 0.34 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.74 1rw5 h GLU 93 Cb 0.11 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.45 1rw5 h GLU 93 CO -0.15 0.03 0.15 -1.35 -0.73 0.00 0.00 179.01 176.96 1rw5 h PRO 94 N -0.98 0.25 -0.30 0.92 0.11 -1.70 0.57 132.00 130.86 1rw5 h PRO 94 Ca -0.03 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 1rw5 h PRO 94 Cb 0.44 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1rw5 h PRO 94 CO 0.05 0.16 0.02 -0.07 -0.21 0.00 0.00 178.00 177.95 1rw5 h LEU 95 N 0.25 0.42 -0.14 2.35 3.38 -1.35 -1.82 115.31 118.40 1rw5 h LEU 95 Ca 0.39 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1rw5 h LEU 95 Cb 0.65 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1rw5 h LEU 95 CO -0.50 0.48 -0.06 0.22 0.09 0.00 0.00 178.44 178.67 1rw5 h TYR 96 N 0.44 -0.13 -0.31 1.13 3.20 -0.76 -1.05 116.97 119.49 1rw5 h TYR 96 Ca 0.10 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.84 1rw5 h TYR 96 Cb 0.27 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1rw5 h TYR 96 CO 0.01 -0.09 -0.41 0.45 -1.64 0.00 0.00 178.16 176.48 1rw5 h HIS 97 N -0.03 0.90 -0.71 -3.82 3.86 -1.38 -2.06 115.15 111.90 1rw5 h HIS 97 Ca 0.08 -0.27 0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1rw5 h HIS 97 Cb 0.15 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.35 1rw5 h HIS 97 CO -0.20 1.03 0.32 -0.07 0.86 0.00 0.00 177.93 179.87 1rw5 h LEU 98 N 0.61 0.36 -0.53 2.43 4.07 -0.78 0.65 115.31 122.12 1rw5 h LEU 98 Ca 0.05 0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 1rw5 h LEU 98 Cb 0.96 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1rw5 h LEU 98 CO 0.09 0.18 -0.29 0.58 -1.08 0.00 0.00 178.44 177.92 1rw5 h VAL 99 N 0.51 1.27 -0.25 1.22 2.07 -1.05 0.22 116.25 120.26 1rw5 h VAL 99 Ca 0.37 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1rw5 h VAL 99 Cb 0.47 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1rw5 h VAL 99 CO -0.33 0.49 -0.01 0.71 0.02 0.00 0.00 177.57 178.45 1rw5 h THR 100 N 0.74 1.26 -0.22 2.57 1.35 -0.19 -0.34 112.91 118.08 1rw5 h THR 100 Ca 0.08 -0.92 -0.14 0.00 -0.55 0.00 0.00 66.41 64.88 1rw5 h THR 100 Cb 0.85 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1rw5 h THR 100 CO 0.07 0.29 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.89 1rw5 h GLU 101 N 0.21 0.67 -0.67 4.72 4.39 0.23 -3.15 114.58 120.98 1rw5 h GLU 101 Ca 0.07 -0.42 -0.06 0.00 0.34 0.00 0.00 59.36 59.29 1rw5 h GLU 101 Cb 0.42 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1rw5 h GLU 101 CO 0.01 1.04 0.19 0.28 -1.16 0.00 0.00 179.01 179.38 1rw5 h VAL 102 N 0.37 1.25 -0.92 3.13 2.07 -0.94 -2.39 116.25 118.82 1rw5 h VAL 102 Ca 0.01 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 66.77 1rw5 h VAL 102 Cb 1.01 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1rw5 h VAL 102 CO 0.09 0.34 0.59 -0.09 0.02 0.00 0.00 177.57 178.52 1rw5 h ARG 103 N 0.99 0.85 -0.26 1.57 2.43 -1.02 0.10 114.38 119.05 1rw5 h ARG 103 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1rw5 h ARG 103 Cb 0.30 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1rw5 h ARG 103 CO -0.01 0.56 0.00 0.41 -1.51 0.00 0.00 179.97 179.43 1rw5 n GLY 104 N -1.40 0.56 3.57 2.80 0.00 -0.93 -4.81 105.19 104.97 1rw5 n GLY 104 Ca 0.17 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.66 3.60 0.20 1.61 -2.45 0.36 -4.91 119.30 116.04 1rw5 s MET 105 Ca 0.30 0.14 -0.10 0.00 -1.25 0.00 0.00 55.69 54.78 1rw5 s MET 105 Cb 0.16 -3.87 0.13 0.00 1.25 0.00 0.00 34.83 32.50 1rw5 s MET 105 CO 0.23 -1.00 1.78 1.96 1.05 0.00 0.00 175.02 179.05 1rw5 h GLN 106 N 8.74 1.02 0.00 4.11 4.20 -1.88 0.75 115.11 132.07 1rw5 h GLN 106 Ca -0.25 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.23 1rw5 h GLN 106 Cb 1.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1rw5 h GLN 106 CO 0.95 0.81 -0.40 0.93 -0.67 0.00 0.00 178.83 180.44 1rw5 h GLU 107 N 0.99 0.00 -2.12 1.46 5.08 -1.95 -3.33 114.58 114.72 1rw5 h GLU 107 Ca 0.24 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.03 1rw5 h GLU 107 Cb 0.12 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.97 1rw5 h GLU 107 CO -0.03 0.40 -0.91 0.00 -1.00 0.00 0.00 179.01 177.47 1rw5 n ALA 108 N -2.43 3.05 -0.05 3.43 0.00 -0.72 -4.93 120.51 118.84 1rw5 n ALA 108 Ca -0.02 -3.89 -0.02 0.00 0.00 0.00 0.00 53.44 49.51 1rw5 n ALA 108 Cb 0.44 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 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 4.19 0.00 0.00 0.00 0.13 -0.99 -3.38 132.00 131.94 1rw5 h PRO 109 Ca 0.13 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 1rw5 h PRO 109 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1rw5 h PRO 109 CO 0.59 0.00 -1.47 0.39 -0.23 0.00 0.00 178.00 177.28 1rw5 n GLU 110 N -4.50 1.05 0.00 0.86 -0.58 -1.26 -4.14 120.64 112.08 1rw5 n GLU 110 Ca -0.03 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1rw5 n GLU 110 Cb 0.11 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rw5 n ALA 111 N -1.98 -0.43 0.16 0.62 0.00 -1.26 -0.92 120.51 116.70 1rw5 n ALA 111 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1rw5 n ALA 111 Cb 0.42 0.04 0.25 0.00 0.00 0.00 0.00 19.45 20.15 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 1.29 -0.37 0.00 2.04 -1.86 -2.98 117.51 115.64 1rw5 h ILE 112 Ca 0.00 -1.82 -0.03 0.00 1.00 0.00 0.00 64.86 64.01 1rw5 h ILE 112 Cb 0.00 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 1rw5 h ILE 112 CO 0.00 0.51 0.10 0.25 0.00 0.00 0.00 178.15 179.01 1rw5 h LEU 113 N 0.00 0.49 -1.17 1.44 6.46 -1.71 -1.04 115.31 119.78 1rw5 h LEU 113 Ca -0.01 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1rw5 h LEU 113 Cb 0.96 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.72 1rw5 h LEU 113 CO 0.07 0.48 0.56 0.77 -0.62 0.00 0.00 178.44 179.71 1rw5 h SER 114 N 0.53 0.94 0.35 1.25 4.64 -0.86 0.13 113.55 120.52 1rw5 h SER 114 Ca 0.13 -0.01 -0.32 0.00 -0.47 0.00 0.00 61.79 61.11 1rw5 h SER 114 Cb 0.18 -0.22 0.03 0.00 -0.31 0.00 0.00 62.40 62.08 1rw5 h SER 114 CO -0.01 0.65 -1.39 0.11 -0.87 0.00 0.00 176.83 175.33 1rw5 h LYS 115 N 1.09 0.48 -0.59 4.77 1.79 -1.53 -3.12 116.57 119.46 1rw5 h LYS 115 Ca 0.33 -0.79 -0.10 0.00 -2.18 0.00 0.00 60.65 57.91 1rw5 h LYS 115 Cb -0.02 0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1rw5 h LYS 115 CO -0.09 1.37 -0.03 0.00 -1.08 0.00 0.00 179.45 179.62 1rw5 h ALA 116 N 0.29 0.82 -0.32 3.86 0.00 -0.72 0.45 119.26 123.64 1rw5 h ALA 116 Ca -0.22 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1rw5 h ALA 116 Cb 2.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1rw5 h ALA 116 CO 0.25 0.67 -0.31 -0.24 0.00 0.00 0.00 179.25 179.63 1rw5 h VAL 117 N 0.96 1.28 0.00 0.00 3.04 -0.87 -2.98 116.25 117.69 1rw5 h VAL 117 Ca 0.16 -1.43 -0.22 0.00 -1.01 0.00 0.00 66.70 64.21 1rw5 h VAL 117 Cb 0.60 1.37 -0.03 0.00 -2.01 0.00 0.00 31.29 31.21 1rw5 h VAL 117 CO 0.04 0.46 -1.25 1.05 -1.01 0.00 0.00 177.57 176.86 1rw5 h GLU 118 N 0.57 0.00 -0.32 4.17 4.11 -1.45 -3.28 114.58 118.38 1rw5 h GLU 118 Ca 0.07 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.39 1rw5 h GLU 118 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1rw5 h GLU 118 CO 0.07 0.64 -0.24 0.97 0.07 0.00 0.00 179.01 180.51 1rw5 h ILE 119 N 0.00 1.27 -0.10 -1.06 2.10 -0.07 -1.49 117.51 118.16 1rw5 h ILE 119 Ca -0.13 -1.32 -0.10 0.00 1.08 0.00 0.00 64.86 64.39 1rw5 h ILE 119 Cb 1.77 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.78 1rw5 h ILE 119 CO 0.09 0.43 -0.40 -0.08 -1.08 0.00 0.00 178.15 177.11 1rw5 h GLU 120 N 0.56 0.21 -0.05 2.19 4.81 -1.64 -2.50 114.58 118.16 1rw5 h GLU 120 Ca 0.08 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1rw5 h GLU 120 Cb 0.72 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.10 1rw5 h GLU 120 CO 0.05 0.58 -0.45 1.49 -0.73 0.00 0.00 179.01 179.96 1rw5 h GLU 121 N 0.18 0.39 -0.26 1.92 4.81 -1.51 -3.14 114.58 116.97 1rw5 h GLU 121 Ca 0.02 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 1rw5 h GLU 121 Cb 0.79 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1rw5 h GLU 121 CO 0.06 1.01 -0.25 1.96 -0.73 0.00 0.00 179.01 181.06 1rw5 h GLN 122 N -0.11 0.50 -0.36 1.92 7.50 -1.28 -2.51 115.11 120.77 1rw5 h GLN 122 Ca -0.04 -0.19 -0.03 0.00 0.50 0.00 0.00 58.65 58.88 1rw5 h GLN 122 Cb 1.13 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.61 1rw5 h GLN 122 CO 0.09 0.72 0.08 1.79 -1.50 0.00 0.00 178.83 180.01 1rw5 h THR 123 N 0.44 1.17 -0.02 -0.54 1.35 -1.51 -2.05 112.91 111.76 1rw5 h THR 123 Ca 0.06 -0.61 -0.19 0.00 -0.55 0.00 0.00 66.41 65.13 1rw5 h THR 123 Cb 0.68 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1rw5 h THR 123 CO 0.05 0.22 -0.81 0.11 -0.25 0.00 0.00 175.52 174.84 1rw5 h LYS 124 N 0.52 0.22 -0.39 4.72 1.57 -1.42 -3.02 116.57 118.77 1rw5 h LYS 124 Ca 0.12 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1rw5 h LYS 124 Cb 0.21 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1rw5 h LYS 124 CO -0.00 0.92 0.26 0.00 -0.57 0.00 0.00 179.45 180.05 1rw5 h ARG 125 N 0.13 0.52 -0.79 3.15 3.08 -0.96 -0.65 114.38 118.87 1rw5 h ARG 125 Ca -0.04 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1rw5 h ARG 125 Cb 1.41 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 1rw5 h ARG 125 CO 0.13 0.35 0.52 -0.07 -1.07 0.00 0.00 179.97 179.82 1rw5 h LEU 126 N 0.53 0.78 0.16 3.04 3.38 -1.45 -0.91 115.31 120.84 1rw5 h LEU 126 Ca 0.14 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1rw5 h LEU 126 Cb -0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1rw5 h LEU 126 CO -0.03 0.52 -0.24 0.25 0.09 0.00 0.00 178.44 179.03 1rw5 h LEU 127 N 0.89 -0.66 -0.60 1.67 7.12 -1.00 0.86 115.31 123.59 1rw5 h LEU 127 Ca 0.33 0.07 -0.07 0.00 0.13 0.00 0.00 57.88 58.34 1rw5 h LEU 127 Cb 0.16 0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 1rw5 h LEU 127 CO -0.11 -0.34 0.10 -0.33 -0.13 0.00 0.00 178.44 177.63 1rw5 h GLU 128 N -0.47 1.00 -0.29 1.25 4.39 -0.92 0.18 114.58 119.72 1rw5 h GLU 128 Ca 0.02 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1rw5 h GLU 128 Cb 0.47 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1rw5 h GLU 128 CO -0.10 0.94 0.16 0.78 -1.16 0.00 0.00 179.01 179.63 1rw5 h GLY 129 N 0.91 0.44 2.00 -3.84 0.00 -0.74 -2.53 103.07 99.30 1rw5 h GLY 129 Ca 0.18 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.22 1rw5 h GLY 129 CO 0.01 0.19 -0.48 0.00 0.00 0.00 0.00 176.54 176.26 1rw5 h MET 130 N 0.36 0.00 -0.11 4.80 -0.00 0.98 -3.01 114.93 117.95 1rw5 h MET 130 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.77 1rw5 h MET 130 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 1rw5 h MET 130 CO -0.02 0.48 -0.08 0.93 -0.00 0.00 0.00 176.91 178.22 1rw5 h GLU 131 N 0.00 0.16 0.00 -0.10 5.08 -0.22 -1.52 114.58 117.99 1rw5 h GLU 131 Ca -0.00 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1rw5 h GLU 131 Cb 0.91 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1rw5 h GLU 131 CO 0.06 0.26 -0.74 1.37 -1.00 0.00 0.00 179.01 178.96 1rw5 h LEU 132 N 0.16 0.00 0.22 1.33 8.10 -1.39 -2.81 115.31 120.92 1rw5 h LEU 132 Ca 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.01 1rw5 h LEU 132 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1rw5 h LEU 132 CO 0.01 0.72 -0.10 0.40 -4.11 0.00 0.00 178.44 175.36 1rw5 h ILE 133 N 0.00 0.85 -0.90 0.15 5.03 -1.26 0.21 117.51 121.60 1rw5 h ILE 133 Ca -0.01 -0.78 0.03 0.00 -0.12 0.00 0.00 64.86 63.98 1rw5 h ILE 133 Cb 1.56 1.28 -0.05 0.00 -3.03 0.00 0.00 36.82 36.58 1rw5 h ILE 133 CO 0.09 0.16 0.59 1.62 -0.68 0.00 0.00 178.15 179.94 1rw5 h VAL 134 N -0.71 1.18 0.00 1.67 3.04 -1.45 0.62 116.25 120.60 1rw5 h VAL 134 Ca -0.03 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1rw5 h VAL 134 Cb 0.49 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 1rw5 h VAL 134 CO 0.05 0.21 0.00 0.77 -1.01 0.00 0.00 177.57 177.59 1rw5 h SER 135 N 1.16 0.00 0.11 3.17 4.64 -1.41 -1.15 113.55 120.07 1rw5 h SER 135 Ca 0.35 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.30 1rw5 h SER 135 Cb -0.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 1rw5 h SER 135 CO -0.09 0.00 -2.16 1.67 -0.87 0.00 0.00 176.83 175.37 1rw5 n GLN 136 N -2.79 0.70 -0.13 4.77 -0.06 0.11 -4.17 117.38 115.82 1rw5 n GLN 136 Ca 0.02 0.21 -0.07 0.00 -2.00 0.00 0.00 57.00 55.16 1rw5 n GLN 136 Cb 0.32 -1.64 0.10 0.00 -4.06 0.00 0.00 30.24 24.96 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1rw5 h VAL 137 N 0.04 1.26 -3.49 1.69 2.07 0.20 -3.45 116.25 114.56 1rw5 h VAL 137 Ca -0.47 -1.14 -0.10 0.00 0.82 0.00 0.00 66.70 65.80 1rw5 h VAL 137 Cb 2.00 0.95 -0.17 0.00 -1.52 0.00 0.00 31.29 32.55 1rw5 h VAL 137 CO 0.02 0.40 -0.34 -1.00 0.02 0.00 0.00 177.57 176.67 1rw5 s HIS 138 N -4.89 0.01 -0.05 1.57 3.76 -0.44 -5.08 115.29 110.17 1rw5 s HIS 138 Ca -0.10 -0.22 -0.06 0.00 -0.15 0.00 0.00 55.06 54.53 1rw5 s HIS 138 Cb 0.14 0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.80 1rw5 s HIS 138 CO 0.83 -0.46 0.33 -1.00 -0.85 0.00 0.00 174.74 173.58 1rw5 h PRO 139 N 3.32 -0.22 -5.95 8.40 0.13 -1.80 -3.34 132.00 132.54 1rw5 h PRO 139 Ca -0.32 0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.15 1rw5 h PRO 139 Cb 1.20 0.05 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 1rw5 h PRO 139 CO 0.48 -0.15 -0.71 -2.00 -0.23 0.00 0.00 178.00 175.39 1rw5 s GLU 140 N -2.28 2.93 -0.11 0.86 2.12 -1.26 -4.87 118.70 116.09 1rw5 s GLU 140 Ca -0.03 -0.58 -0.11 0.00 0.36 0.00 0.00 54.97 54.61 1rw5 s GLU 140 Cb 0.00 -2.62 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 1rw5 s GLU 140 CO 0.10 0.55 0.24 0.99 -0.54 0.00 0.00 175.26 176.60 1rw5 s THR 141 N -0.49 5.33 0.29 -1.70 2.01 -1.26 -4.97 115.64 114.84 1rw5 s THR 141 Ca 0.07 0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 1rw5 s THR 141 Cb -0.12 -3.54 0.27 0.00 0.01 0.00 0.00 72.50 69.12 1rw5 s THR 141 CO 0.02 0.54 1.94 0.50 -0.69 0.00 0.00 174.62 176.93 1rw5 h LYS 142 N 5.45 1.11 -5.58 4.92 3.64 -1.99 -3.40 116.57 120.73 1rw5 h LYS 142 Ca -0.50 -0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.17 1rw5 h LYS 142 Cb 1.20 -0.25 -0.10 0.00 -0.41 0.00 0.00 32.23 32.67 1rw5 h LYS 142 CO 0.65 0.74 -0.52 -2.00 -2.27 0.00 0.00 179.45 176.04 1rw5 s GLU 143 N -5.97 3.58 0.78 1.90 2.12 -1.26 -5.10 118.70 114.76 1rw5 s GLU 143 Ca -0.12 -0.22 -0.11 0.00 0.36 0.00 0.00 54.97 54.88 1rw5 s GLU 143 Cb 0.19 -3.17 0.07 0.00 0.26 0.00 0.00 34.13 31.48 1rw5 s GLU 143 CO 0.80 0.61 1.14 1.21 -0.54 0.00 0.00 175.26 178.48 1rw5 s ASN 144 N -0.56 4.59 -1.00 -1.70 2.47 -1.26 -4.88 114.94 112.59 1rw5 s ASN 144 Ca 0.12 0.70 -0.24 0.00 0.42 0.00 0.00 52.86 53.86 1rw5 s ASN 144 Cb -0.12 -1.24 -0.14 0.00 -1.45 0.00 0.00 41.25 38.30 1rw5 s ASN 144 CO 0.02 -1.83 1.93 -1.84 -3.72 0.00 0.00 177.10 171.67 1rw5 n GLU 145 N -3.22 1.27 -4.52 0.43 0.28 -1.26 -4.89 120.64 108.73 1rw5 n GLU 145 Ca 0.08 -2.13 -0.34 0.00 -0.16 0.00 0.00 57.16 54.60 1rw5 n GLU 145 Cb 0.61 -3.50 -0.11 0.00 1.43 0.00 0.00 31.44 29.87 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 10.32 3.92 0.22 3.84 1.01 -1.26 -5.00 121.20 134.25 1rw5 s ILE 146 Ca 0.68 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.95 1rw5 s ILE 146 Cb 0.03 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1rw5 s ILE 146 CO 0.15 0.59 0.06 -0.72 0.00 0.00 0.00 174.94 175.02 1rw5 s TYR 147 N -0.68 1.41 1.08 3.97 -0.85 -1.26 -4.43 117.35 116.59 1rw5 s TYR 147 Ca 0.10 -1.12 -0.14 0.00 -0.52 0.00 0.00 57.07 55.40 1rw5 s TYR 147 Cb -0.12 -0.82 0.17 0.00 0.38 0.00 0.00 41.96 41.58 1rw5 s TYR 147 CO 0.02 -0.28 0.67 -2.30 -1.52 0.00 0.00 175.55 172.13 1rw5 n PRO 148 N -0.38 -1.50 -1.04 -3.49 -0.02 -1.26 -5.03 135.00 122.28 1rw5 n PRO 148 Ca -0.03 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 1rw5 n PRO 148 Cb 0.65 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1rw5 n PRO 148 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1rw5 n VAL 149 N -4.47 0.00 -3.82 -1.45 0.24 -1.26 -4.93 118.33 102.63 1rw5 n VAL 149 Ca 0.05 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.99 1rw5 n VAL 149 Cb 0.56 -0.77 -0.08 0.00 -1.47 0.00 0.00 33.84 32.08 1rw5 n VAL 149 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1rw5 s TRP 150 N 0.73 3.41 0.00 6.34 -0.11 -1.26 -4.88 118.94 123.16 1rw5 s TRP 150 Ca 0.00 0.31 0.00 0.00 1.22 0.00 0.00 56.10 57.63 1rw5 s TRP 150 Cb 0.00 -2.10 0.00 0.00 -1.50 0.00 0.00 33.47 29.87 1rw5 s TRP 150 CO 0.00 0.35 0.00 -1.13 -4.62 0.00 0.00 176.95 171.55 1rw5 n SER 151 N 3.23 0.00 -3.11 5.86 3.41 -1.26 -5.12 113.62 116.63 1rw5 n SER 151 Ca -0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.29 1rw5 n SER 151 Cb 0.53 0.10 0.15 0.00 -0.26 0.00 0.00 64.21 64.72 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rw5 n GLY 152 N -0.52 -3.84 3.43 5.00 0.00 -1.26 -4.28 105.19 103.71 1rw5 n GLY 152 Ca 0.00 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 1rw5 n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rw5 n LEU 153 N 0.00 -4.48 -4.68 0.99 4.32 -1.26 -4.84 117.00 107.04 1rw5 n LEU 153 Ca 0.07 -0.81 -0.46 0.00 -0.02 0.00 0.00 56.01 54.79 1rw5 n LEU 153 Cb 0.30 -2.91 -0.04 0.00 -1.62 0.00 0.00 43.42 39.15 1rw5 n LEU 153 CO 0.19 0.26 1.40 -0.81 -1.22 0.00 0.00 177.39 177.21 1rw5 n PRO 154 N -3.66 2.37 -3.02 3.23 -0.04 -1.26 -3.16 135.00 129.46 1rw5 n PRO 154 Ca -0.11 0.86 -0.13 0.00 -0.04 0.00 0.00 63.50 64.08 1rw5 n PRO 154 Cb 0.62 -2.70 0.01 0.00 -0.04 0.00 0.00 33.50 31.39 1rw5 n PRO 154 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rw5 n SER 155 N 5.36 -7.43 -0.13 3.54 7.64 -1.26 -4.79 113.62 116.55 1rw5 n SER 155 Ca 0.19 0.30 0.18 0.00 1.01 0.00 0.00 58.87 60.56 1rw5 n SER 155 Cb 0.32 -4.63 0.57 0.00 -1.01 0.00 0.00 64.21 59.46 1rw5 n SER 155 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1rw5 h LEU 156 N 1.77 0.25 -6.22 -3.43 5.85 -1.92 -3.15 115.31 108.46 1rw5 h LEU 156 Ca -0.12 0.02 -0.63 0.00 0.84 0.00 0.00 57.88 57.98 1rw5 h LEU 156 Cb 1.08 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 42.11 1rw5 h LEU 156 CO 0.22 0.13 2.55 1.67 -0.34 0.00 0.00 178.44 182.67 1rw5 n GLN 157 N -4.44 1.91 -4.65 1.25 7.27 -1.26 -4.87 117.38 112.60 1rw5 n GLN 157 Ca 0.14 -1.97 -0.34 0.00 0.07 0.00 0.00 57.00 54.91 1rw5 n GLN 157 Cb 0.61 -2.94 -0.12 0.00 2.41 0.00 0.00 30.24 30.20 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1rw5 s MET 158 N 4.36 2.98 -0.01 3.69 -1.94 -1.19 -5.00 119.30 122.19 1rw5 s MET 158 Ca 0.53 -0.58 0.05 0.00 -1.71 0.00 0.00 55.69 53.98 1rw5 s MET 158 Cb 0.14 -2.63 0.13 0.00 2.01 0.00 0.00 34.83 34.48 1rw5 s MET 158 CO 0.05 0.51 1.10 0.00 -0.01 0.00 0.00 175.02 176.68 1rw5 n ALA 159 N 2.67 2.10 -2.47 3.03 0.00 -1.26 -4.86 120.51 119.71 1rw5 n ALA 159 Ca -0.18 -1.16 -0.40 0.00 0.00 0.00 0.00 53.44 51.71 1rw5 n ALA 159 Cb 0.53 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.11 7.16 0.23 0.00 1.01 -1.26 -4.95 116.67 117.76 1rw5 s ASP 160 Ca 0.10 1.39 -0.05 0.00 0.71 0.00 0.00 52.55 54.71 1rw5 s ASP 160 Cb 0.06 -2.46 0.24 0.00 1.01 0.00 0.00 42.92 41.77 1rw5 s ASP 160 CO 0.06 -0.01 1.74 -0.33 0.21 0.00 0.00 175.17 176.83 1rw5 h GLU 161 N 5.90 0.94 -0.01 8.23 5.08 -1.98 0.12 114.58 132.86 1rw5 h GLU 161 Ca -0.43 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 57.65 1rw5 h GLU 161 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1rw5 h GLU 161 CO 0.72 0.89 -0.10 0.93 -1.00 0.00 0.00 179.01 180.45 1rw5 h GLU 162 N 0.88 0.08 -0.17 2.33 5.08 -1.96 -2.62 114.58 118.20 1rw5 h GLU 162 Ca 0.18 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1rw5 h GLU 162 Cb 0.43 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1rw5 h GLU 162 CO 0.01 0.80 0.01 1.03 -1.00 0.00 0.00 179.01 179.87 1rw5 h SER 163 N -0.62 0.27 -0.97 1.42 0.87 -1.96 -2.97 113.55 109.59 1rw5 h SER 163 Ca -0.01 -0.28 0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1rw5 h SER 163 Cb 0.83 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.66 1rw5 h SER 163 CO 0.02 0.49 0.64 -0.09 -0.53 0.00 0.00 176.83 177.36 1rw5 h ARG 164 N 0.05 1.20 -0.54 2.24 9.65 -0.88 -1.96 114.38 124.15 1rw5 h ARG 164 Ca 0.05 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 58.93 1rw5 h ARG 164 Cb 0.34 -0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 28.59 1rw5 h ARG 164 CO 0.01 0.80 0.20 -0.07 2.80 0.00 0.00 179.97 183.70 1rw5 h LEU 165 N 1.24 0.20 -1.48 3.80 4.07 -1.31 0.34 115.31 122.17 1rw5 h LEU 165 Ca 0.38 0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.47 1rw5 h LEU 165 Cb -0.02 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1rw5 h LEU 165 CO -0.11 0.14 0.43 0.77 -1.08 0.00 0.00 178.44 178.58 1rw5 h SER 166 N 0.38 0.56 -1.00 -0.43 4.64 -1.23 0.93 113.55 117.39 1rw5 h SER 166 Ca 0.26 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.69 1rw5 h SER 166 Cb 0.29 -0.12 -0.08 0.00 -0.31 0.00 0.00 62.40 62.18 1rw5 h SER 166 CO -0.26 0.36 0.63 0.00 -0.87 0.00 0.00 176.83 176.69 1rw5 h ALA 167 N 1.65 1.47 0.00 5.18 0.00 0.04 -2.10 119.26 125.50 1rw5 h ALA 167 Ca 0.28 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1rw5 h ALA 167 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1rw5 h ALA 167 CO -0.09 0.29 -1.91 0.66 0.00 0.00 0.00 179.25 178.21 1rw5 n TYR 168 N -4.58 0.00 -0.26 0.00 4.01 -0.53 -3.88 117.16 111.91 1rw5 n TYR 168 Ca 0.18 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.87 1rw5 n TYR 168 Cb 0.30 -0.58 0.06 0.00 -0.31 0.00 0.00 39.34 38.81 1rw5 n TYR 168 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rw5 h TYR 169 N 0.00 0.96 -0.44 -0.72 5.03 0.93 0.85 116.97 123.57 1rw5 h TYR 169 Ca -0.23 -0.00 -0.12 0.00 2.58 0.00 0.00 58.73 60.96 1rw5 h TYR 169 Cb 1.40 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 39.35 1rw5 h TYR 169 CO 0.00 0.65 -0.19 -0.91 -1.32 0.00 0.00 178.16 176.38 1rw5 h ASN 170 N 0.99 0.93 0.11 -2.11 2.35 -1.57 -2.53 115.58 113.75 1rw5 h ASN 170 Ca 0.26 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1rw5 h ASN 170 Cb -0.03 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1rw5 h ASN 170 CO -0.05 1.12 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.73 1rw5 h LEU 171 N 0.74 -0.12 -0.79 1.61 3.38 -1.52 -2.68 115.31 115.93 1rw5 h LEU 171 Ca 0.10 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.22 1rw5 h LEU 171 Cb 0.76 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 1rw5 h LEU 171 CO 0.06 0.31 0.36 -0.07 0.09 0.00 0.00 178.44 179.18 1rw5 h LEU 172 N -0.94 0.38 0.05 1.67 3.38 0.56 0.91 115.31 121.33 1rw5 h LEU 172 Ca -0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rw5 h LEU 172 Cb 0.11 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rw5 h LEU 172 CO 0.02 0.16 -0.02 -0.74 0.09 0.00 0.00 178.44 177.95 1rw5 h HIS 173 N 0.52 -0.06 -0.38 1.13 2.76 -1.57 -2.06 115.15 115.49 1rw5 h HIS 173 Ca 0.43 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1rw5 h HIS 173 Cb 0.63 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 1rw5 h HIS 173 CO -0.13 0.25 0.11 0.00 -1.30 0.00 0.00 177.93 176.86 1rw5 h LEU 175 N 0.54 1.13 0.39 0.00 6.46 0.11 0.11 115.31 124.03 1rw5 h LEU 175 Ca 0.13 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1rw5 h LEU 175 Cb 0.18 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1rw5 h LEU 175 CO -0.01 0.81 -0.19 -0.09 -0.62 0.00 0.00 178.44 178.35 1rw5 h ARG 176 N 1.33 -0.50 -0.65 1.25 2.43 -0.58 0.03 114.38 117.70 1rw5 h ARG 176 Ca 0.37 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.64 1rw5 h ARG 176 Cb -0.13 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 1rw5 h ARG 176 CO -0.08 -0.19 0.33 -0.09 -1.51 0.00 0.00 179.97 178.42 1rw5 h ARG 177 N -0.97 0.57 -0.41 0.20 2.43 -1.29 -1.53 114.38 113.38 1rw5 h ARG 177 Ca -0.05 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.97 1rw5 h ARG 177 Cb 0.54 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1rw5 h ARG 177 CO 0.09 0.38 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.29 1rw5 h ASP 178 N 0.59 0.81 0.00 -3.80 5.19 -0.82 -1.98 116.42 116.41 1rw5 h ASP 178 Ca 0.31 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1rw5 h ASP 178 Cb 0.27 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1rw5 h ASP 178 CO -0.23 0.99 -0.05 -1.28 -3.12 0.00 0.00 179.24 175.56 1rw5 h SER 179 N 0.70 0.12 0.06 6.45 0.87 -0.08 -1.04 113.55 120.63 1rw5 h SER 179 Ca 0.10 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.42 1rw5 h SER 179 Cb 0.71 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1rw5 h SER 179 CO 0.05 0.19 -0.86 -0.74 -0.53 0.00 0.00 176.83 174.95 1rw5 h HIS 180 N 0.13 0.88 -0.14 2.24 -0.00 -0.86 -2.26 115.15 115.15 1rw5 h HIS 180 Ca 0.03 -0.42 -0.00 0.00 -0.00 0.00 0.00 60.37 59.98 1rw5 h HIS 180 Cb 0.18 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1rw5 h HIS 180 CO 0.00 1.24 0.08 0.87 -0.00 0.00 0.00 177.93 180.13 1rw5 h LYS 181 N 0.40 0.19 -0.97 5.26 1.57 -0.51 0.86 116.57 123.38 1rw5 h LYS 181 Ca -0.07 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1rw5 h LYS 181 Cb 1.48 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.71 1rw5 h LYS 181 CO 0.16 0.18 0.60 0.82 -0.57 0.00 0.00 179.45 180.64 1rw5 h ILE 182 N 0.15 1.26 -0.57 1.86 2.04 -1.26 -1.37 117.51 119.62 1rw5 h ILE 182 Ca 0.05 -0.54 -0.11 0.00 1.00 0.00 0.00 64.86 65.27 1rw5 h ILE 182 Cb 0.03 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 35.97 1rw5 h ILE 182 CO -0.01 0.27 -0.06 -0.78 0.00 0.00 0.00 178.15 177.57 1rw5 h ASP 183 N 1.32 1.02 -0.84 1.72 1.82 -0.75 -3.02 116.42 117.70 1rw5 h ASP 183 Ca 0.35 -0.32 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1rw5 h ASP 183 Cb -0.09 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.61 1rw5 h ASP 183 CO -0.07 1.11 0.50 -1.13 -1.61 0.00 0.00 179.24 178.04 1rw5 h ASN 184 N 0.93 1.01 -0.65 2.28 -1.24 0.18 -2.80 115.58 115.29 1rw5 h ASN 184 Ca 0.15 -0.07 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 1rw5 h ASN 184 Cb 0.62 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 1rw5 h ASN 184 CO 0.04 0.78 0.29 1.88 -1.29 0.00 0.00 177.43 179.13 1rw5 h TYR 185 N 1.15 0.95 -0.67 0.67 0.05 -1.21 -2.23 116.97 115.68 1rw5 h TYR 185 Ca 0.30 -0.06 0.04 0.00 0.05 0.00 0.00 58.73 59.07 1rw5 h TYR 185 Cb -0.04 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.37 1rw5 h TYR 185 CO -0.00 0.73 0.44 -0.07 -1.05 0.00 0.00 178.16 178.21 1rw5 h LEU 186 N 0.90 0.66 -0.55 3.88 3.38 -1.43 0.37 115.31 122.52 1rw5 h LEU 186 Ca 0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1rw5 h LEU 186 Cb 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1rw5 h LEU 186 CO -0.02 0.45 0.30 0.11 0.09 0.00 0.00 178.44 179.36 1rw5 h LYS 187 N 0.76 0.77 -0.13 1.13 1.57 -1.25 0.18 116.57 119.60 1rw5 h LYS 187 Ca 0.27 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 1rw5 h LYS 187 Cb 0.13 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1rw5 h LYS 187 CO -0.08 0.60 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.13 1rw5 h LEU 188 N 0.74 0.40 -1.80 2.94 3.38 -0.95 -3.03 115.31 116.98 1rw5 h LEU 188 Ca 0.19 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1rw5 h LEU 188 Cb 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1rw5 h LEU 188 CO -0.03 0.84 0.19 0.25 0.09 0.00 0.00 178.44 179.78 1rw5 h LEU 189 N -0.04 0.23 -0.76 1.67 5.85 -0.07 -1.90 115.31 120.29 1rw5 h LEU 189 Ca 0.01 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1rw5 h LEU 189 Cb 0.76 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 1rw5 h LEU 189 CO 0.04 0.16 0.39 0.50 -0.34 0.00 0.00 178.44 179.19 1rw5 h LYS 190 N 0.27 0.61 0.00 1.25 1.63 -0.52 0.96 116.57 120.77 1rw5 h LYS 190 Ca 0.12 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1rw5 h LYS 190 Cb 0.13 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1rw5 h LYS 190 CO -0.02 0.40 -0.08 0.00 -3.45 0.00 0.00 179.45 176.30 1rw5 n ARG 192 N -3.91 1.29 0.12 0.00 1.74 0.03 -0.83 116.66 115.10 1rw5 n ARG 192 Ca -0.02 -0.05 -0.02 0.00 -0.77 0.00 0.00 57.85 56.99 1rw5 n ARG 192 Cb 0.17 -1.35 0.07 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 1.37 0.00 0.55 2.10 0.91 -3.31 117.51 119.13 1rw5 h ILE 193 Ca -0.24 -2.51 -0.01 0.00 1.08 0.00 0.00 64.86 63.17 1rw5 h ILE 193 Cb 1.42 2.41 -0.03 0.00 -1.09 0.00 0.00 36.82 39.53 1rw5 h ILE 193 CO 0.01 0.69 -0.29 -0.38 -1.08 0.00 0.00 178.15 177.10 1rw5 n ILE 194 N -3.51 1.44 -3.79 2.19 2.08 -0.92 -4.93 119.36 111.92 1rw5 n ILE 194 Ca -0.00 -1.94 -0.25 0.00 0.56 0.00 0.00 62.75 61.12 1rw5 n ILE 194 Cb 0.73 0.01 0.03 0.00 -0.75 0.00 0.00 39.64 39.66 1rw5 n ILE 194 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1rw5 n HIS 195 N -0.93 -2.06 -3.98 1.39 -0.00 -1.19 -4.98 115.22 103.47 1rw5 n HIS 195 Ca 0.13 0.86 -0.22 0.00 0.46 0.00 0.00 57.72 58.95 1rw5 n HIS 195 Cb 0.70 -4.23 -0.05 0.00 -0.12 0.00 0.00 29.99 26.30 1rw5 n HIS 195 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1rw5 s ASN 196 N -3.96 5.13 -0.22 0.26 0.02 -0.01 -4.97 114.94 111.19 1rw5 s ASN 196 Ca 0.25 -0.53 0.10 0.00 -1.02 0.00 0.00 52.86 51.67 1rw5 s ASN 196 Cb -0.13 -0.98 0.43 0.00 0.02 0.00 0.00 41.25 40.58 1rw5 s ASN 196 CO 0.82 -0.25 1.22 -0.46 0.02 0.00 0.00 177.10 178.45 1rw5 n ASN 197 N -1.25 2.14 -4.35 -1.22 6.94 -1.26 -4.16 115.26 112.10 1rw5 n ASN 197 Ca -0.04 -3.89 -0.46 0.00 -0.02 0.00 0.00 54.58 50.17 1rw5 n ASN 197 Cb 0.60 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.49 1rw5 n ASN 197 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1rw5 s ASN 198 N -3.28 6.82 0.00 0.53 2.47 -1.26 -5.07 114.94 115.15 1rw5 s ASN 198 Ca 0.40 -2.70 0.00 0.00 0.42 0.00 0.00 52.86 50.97 1rw5 s ASN 198 Cb 0.38 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 1rw5 s ASN 198 CO -0.05 -0.62 0.00 0.00 -3.72 0.00 0.00 177.10 172.70