#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw5 n PRO 2 N 0.00 0.31 -4.36 1.47 -0.04 -1.26 -5.00 135.00 126.12 1rw5 n PRO 2 Ca 0.00 0.16 -0.34 0.00 -0.04 0.00 0.00 63.50 63.28 1rw5 n PRO 2 Cb 0.00 -2.15 -0.11 0.00 -0.04 0.00 0.00 33.50 31.19 1rw5 n PRO 2 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rw5 s ILE 3 N -1.97 4.04 -0.17 0.52 -1.09 -1.26 -5.09 121.20 116.19 1rw5 s ILE 3 Ca 0.70 -0.31 -0.28 0.00 -2.23 0.00 0.00 60.65 58.53 1rw5 s ILE 3 Cb -0.32 -2.77 0.09 0.00 -1.58 0.00 0.00 42.46 37.89 1rw5 s ILE 3 CO 0.54 0.51 0.83 0.00 -1.23 0.00 0.00 174.94 175.58 1rw5 s PRO 5 N -0.58 3.18 -0.73 0.00 0.04 -1.26 -3.80 135.00 131.85 1rw5 s PRO 5 Ca -0.04 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1rw5 s PRO 5 Cb -0.02 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1rw5 s PRO 5 CO 0.03 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.46 1rw5 n GLY 6 N 5.35 0.55 3.02 0.56 0.00 -1.26 -3.81 105.19 109.60 1rw5 n GLY 6 Ca 0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.58 -1.16 3.73 -0.02 0.00 -1.25 -4.87 105.19 100.04 1rw5 n GLY 7 Ca -0.08 0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.03 2.19 -0.09 4.61 0.00 -1.25 -4.85 120.51 119.08 1rw5 n ALA 8 Ca -0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1rw5 n ALA 8 Cb 0.52 -2.41 0.29 0.00 0.00 0.00 0.00 19.45 17.85 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 4.35 1.44 -1.37 0.00 0.00 -1.94 -2.32 119.26 119.41 1rw5 h ALA 9 Ca -0.47 -0.11 -0.71 0.00 0.00 0.00 0.00 54.91 53.62 1rw5 h ALA 9 Cb 1.24 -0.22 -0.33 0.00 0.00 0.00 0.00 17.79 18.48 1rw5 h ALA 9 CO 0.76 0.44 0.37 2.89 0.00 0.00 0.00 179.25 183.71 1rw5 n ARG 10 N -4.37 3.60 -0.26 0.00 1.85 -1.26 -4.78 116.66 111.44 1rw5 n ARG 10 Ca 0.04 -4.22 0.14 0.00 -1.00 0.00 0.00 57.85 52.81 1rw5 n ARG 10 Cb 0.13 -2.31 0.41 0.00 -1.05 0.00 0.00 32.46 29.64 1rw5 n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rw5 s GLN 12 N -5.62 1.30 0.06 0.00 -0.21 -1.26 -5.05 119.66 108.88 1rw5 s GLN 12 Ca -0.09 -1.33 0.09 0.00 0.02 0.00 0.00 55.36 54.05 1rw5 s GLN 12 Cb 0.22 -1.58 -0.03 0.00 1.00 0.00 0.00 33.01 32.62 1rw5 s GLN 12 CO 0.79 0.35 -0.26 0.08 -2.12 0.00 0.00 175.29 174.13 1rw5 s VAL 13 N -1.44 2.12 0.34 1.09 1.01 -1.26 -5.09 120.40 117.16 1rw5 s VAL 13 Ca 0.13 -1.46 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 1rw5 s VAL 13 Cb -0.09 -1.83 -0.12 0.00 0.00 0.00 0.00 36.38 34.34 1rw5 s VAL 13 CO 0.06 0.28 1.35 0.41 0.00 0.00 0.00 175.10 177.21 1rw5 n THR 14 N 1.58 1.88 -0.36 3.92 -1.04 -1.26 -4.76 114.28 114.23 1rw5 n THR 14 Ca -0.17 -0.47 -0.02 0.00 -2.04 0.00 0.00 64.05 61.35 1rw5 n THR 14 Cb 0.52 -1.66 0.11 0.00 -1.82 0.00 0.00 70.33 67.48 1rw5 n THR 14 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1rw5 h LEU 15 N 2.85 1.09 0.23 -4.42 4.07 -1.98 0.17 115.31 117.32 1rw5 h LEU 15 Ca -0.47 -0.02 -0.33 0.00 0.08 0.00 0.00 57.88 57.14 1rw5 h LEU 15 Cb 1.27 -0.27 0.04 0.00 1.08 0.00 0.00 40.66 42.78 1rw5 h LEU 15 CO 0.65 0.78 -1.44 0.08 -1.08 0.00 0.00 178.44 177.42 1rw5 h ARG 16 N 1.28 0.57 -0.20 1.13 0.11 -1.90 -2.76 114.38 112.60 1rw5 h ARG 16 Ca 0.36 -0.92 -0.04 0.00 0.10 0.00 0.00 59.98 59.48 1rw5 h ARG 16 Cb -0.10 0.34 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1rw5 h ARG 16 CO -0.09 1.44 -0.03 0.22 0.10 0.00 0.00 179.97 181.60 1rw5 h ASP 17 N 0.18 0.38 -0.31 0.08 3.58 -1.88 0.43 116.42 118.88 1rw5 h ASP 17 Ca -0.25 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 56.84 1rw5 h ASP 17 Cb 2.13 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 43.06 1rw5 h ASP 17 CO 0.27 0.64 0.13 0.25 -2.88 0.00 0.00 179.24 177.66 1rw5 h LEU 18 N 0.12 0.42 -0.34 2.28 5.85 -0.78 -1.89 115.31 120.95 1rw5 h LEU 18 Ca 0.05 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1rw5 h LEU 18 Cb 0.46 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1rw5 h LEU 18 CO 0.02 0.46 -0.11 0.15 -0.34 0.00 0.00 178.44 178.61 1rw5 h PHE 19 N 0.36 0.78 -0.78 1.25 3.57 -1.47 -2.54 116.94 118.09 1rw5 h PHE 19 Ca 0.10 -0.18 0.10 0.00 3.53 0.00 0.00 57.97 61.52 1rw5 h PHE 19 Cb 0.16 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 1rw5 h PHE 19 CO -0.01 0.86 0.51 -0.44 -2.23 0.00 0.00 178.31 177.00 1rw5 h ASP 20 N 0.47 0.64 -0.62 0.41 3.32 -0.77 0.31 116.42 120.18 1rw5 h ASP 20 Ca 0.08 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1rw5 h ASP 20 Cb 0.63 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1rw5 h ASP 20 CO 0.04 0.38 0.12 0.03 -1.72 0.00 0.00 179.24 178.10 1rw5 h ARG 21 N 0.71 1.04 -0.17 3.56 3.08 -1.06 -1.27 114.38 120.27 1rw5 h ARG 21 Ca 0.36 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1rw5 h ARG 21 Cb 0.45 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1rw5 h ARG 21 CO -0.14 0.94 -0.35 0.00 -1.07 0.00 0.00 179.97 179.35 1rw5 h ALA 22 N 1.15 1.09 -0.47 0.04 0.00 -0.19 0.13 119.26 121.00 1rw5 h ALA 22 Ca 0.20 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1rw5 h ALA 22 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1rw5 h ALA 22 CO 0.01 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 180.04 1rw5 h VAL 23 N 0.30 1.27 0.08 0.00 2.07 0.22 -2.91 116.25 117.28 1rw5 h VAL 23 Ca 0.03 -1.18 -0.26 0.00 0.82 0.00 0.00 66.70 66.12 1rw5 h VAL 23 Cb 0.77 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1rw5 h VAL 23 CO 0.06 0.41 -1.12 0.58 0.02 0.00 0.00 177.57 177.52 1rw5 h VAL 24 N 0.72 1.42 -0.56 2.57 2.07 -1.07 -3.24 116.25 118.16 1rw5 h VAL 24 Ca 0.12 -2.71 0.09 0.00 0.82 0.00 0.00 66.70 65.02 1rw5 h VAL 24 Cb 0.61 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 1rw5 h VAL 24 CO 0.04 0.80 0.38 0.25 0.02 0.00 0.00 177.57 179.06 1rw5 h LEU 25 N 0.17 0.35 -1.41 2.57 5.85 -0.68 -1.08 115.31 121.08 1rw5 h LEU 25 Ca -0.12 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1rw5 h LEU 25 Cb 1.80 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 1rw5 h LEU 25 CO 0.19 0.22 0.11 0.28 -0.34 0.00 0.00 178.44 178.90 1rw5 h SER 26 N 0.39 0.46 0.25 1.25 0.02 -1.54 -2.07 113.55 112.32 1rw5 h SER 26 Ca 0.26 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1rw5 h SER 26 Cb 0.49 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1rw5 h SER 26 CO -0.07 0.45 -0.41 0.45 -1.14 0.00 0.00 176.83 176.11 1rw5 h HIS 27 N 0.51 0.24 0.25 3.45 3.86 -1.34 -2.82 115.15 119.30 1rw5 h HIS 27 Ca 0.12 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1rw5 h HIS 27 Cb 0.15 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1rw5 h HIS 27 CO 0.01 0.59 -0.12 -0.92 0.86 0.00 0.00 177.93 178.35 1rw5 h TYR 28 N 0.18 -0.31 -0.53 2.45 5.03 -1.34 -1.91 116.97 120.54 1rw5 h TYR 28 Ca 0.02 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1rw5 h TYR 28 Cb 0.80 0.10 -0.03 0.00 1.55 0.00 0.00 36.73 39.15 1rw5 h TYR 28 CO 0.01 -0.17 0.36 0.82 -1.32 0.00 0.00 178.16 177.86 1rw5 h ILE 29 N -0.35 0.98 -0.32 1.81 2.04 -1.49 -0.78 117.51 119.39 1rw5 h ILE 29 Ca -0.03 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1rw5 h ILE 29 Cb 0.27 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1rw5 h ILE 29 CO 0.06 0.09 0.17 -0.74 0.00 0.00 0.00 178.15 177.72 1rw5 h HIS 30 N 0.49 0.32 -0.76 1.37 2.76 -1.11 0.36 115.15 118.57 1rw5 h HIS 30 Ca 0.23 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1rw5 h HIS 30 Cb 0.29 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 1rw5 h HIS 30 CO -0.00 0.18 0.27 -0.91 -1.30 0.00 0.00 177.93 176.17 1rw5 h ASN 31 N 0.35 1.08 0.78 3.26 -0.26 -0.61 0.52 115.58 120.71 1rw5 h ASN 31 Ca 0.13 -0.19 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 1rw5 h ASN 31 Cb 0.03 -0.28 0.01 0.00 -1.06 0.00 0.00 38.32 37.02 1rw5 h ASN 31 CO -0.08 0.98 -0.38 -0.07 -1.06 0.00 0.00 177.43 176.82 1rw5 h LEU 32 N 1.12 -0.89 -1.16 1.61 3.38 -0.30 0.46 115.31 119.53 1rw5 h LEU 32 Ca 0.25 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1rw5 h LEU 32 Cb 0.26 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1rw5 h LEU 32 CO -0.01 -0.56 0.37 0.28 0.09 0.00 0.00 178.44 178.61 1rw5 h SER 33 N -1.19 0.85 0.62 -0.43 0.02 -0.26 0.49 113.55 113.65 1rw5 h SER 33 Ca -0.11 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1rw5 h SER 33 Cb 0.82 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.15 1rw5 h SER 33 CO 0.18 0.69 -0.30 -1.28 -1.14 0.00 0.00 176.83 174.98 1rw5 h SER 34 N 0.96 -0.71 -0.29 3.07 0.87 0.21 -2.25 113.55 115.41 1rw5 h SER 34 Ca 0.24 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.73 1rw5 h SER 34 Cb 0.03 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1rw5 h SER 34 CO -0.04 -0.33 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.40 1rw5 h GLU 35 N -1.19 0.66 -0.57 2.24 5.08 -0.04 -0.67 114.58 120.09 1rw5 h GLU 35 Ca -0.09 -0.31 0.06 0.00 -1.00 0.00 0.00 59.36 58.02 1rw5 h GLU 35 Cb 0.64 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1rw5 h GLU 35 CO 0.14 0.91 0.29 1.98 -1.00 0.00 0.00 179.01 181.33 1rw5 h MET 36 N 0.40 0.53 -0.21 2.33 4.05 -0.11 0.19 114.93 122.11 1rw5 h MET 36 Ca 0.06 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 1rw5 h MET 36 Cb 0.75 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1rw5 h MET 36 CO 0.05 0.35 -0.15 0.35 0.23 0.00 0.00 176.91 177.74 1rw5 h PHE 37 N 0.54 0.57 -0.79 1.39 3.57 -1.35 -2.49 116.94 118.37 1rw5 h PHE 37 Ca 0.26 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1rw5 h PHE 37 Cb 0.19 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1rw5 h PHE 37 CO -0.11 0.80 0.50 0.77 -2.23 0.00 0.00 178.31 178.04 1rw5 h SER 38 N 0.17 0.82 -0.90 0.41 0.02 -0.52 0.40 113.55 113.96 1rw5 h SER 38 Ca 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1rw5 h SER 38 Cb 0.67 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1rw5 h SER 38 CO 0.04 0.56 0.50 -0.33 -1.14 0.00 0.00 176.83 176.46 1rw5 h GLU 39 N 0.97 1.25 -0.11 3.45 5.08 -0.57 -2.14 114.58 122.52 1rw5 h GLU 39 Ca 0.32 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1rw5 h GLU 39 Cb 0.04 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1rw5 h GLU 39 CO -0.12 0.91 -0.00 0.35 -1.00 0.00 0.00 179.01 179.14 1rw5 h PHE 40 N 1.26 0.21 -0.98 4.33 3.57 -0.72 -2.73 116.94 121.88 1rw5 h PHE 40 Ca 0.32 -0.04 0.24 0.00 3.53 0.00 0.00 57.97 62.01 1rw5 h PHE 40 Cb 0.02 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.62 1rw5 h PHE 40 CO 0.01 0.45 0.64 -0.44 -2.23 0.00 0.00 178.31 176.74 1rw5 h ASP 41 N -0.09 0.44 -0.05 0.41 3.32 0.26 0.15 116.42 120.86 1rw5 h ASP 41 Ca 0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1rw5 h ASP 41 Cb 0.37 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1rw5 h ASP 41 CO 0.01 0.13 0.00 0.29 -1.72 0.00 0.00 179.24 177.95 1rw5 n LYS 42 N -4.57 1.89 -0.05 3.56 4.01 -0.85 0.80 118.16 122.95 1rw5 n LYS 42 Ca 0.22 -1.30 -0.05 0.00 -0.51 0.00 0.00 58.31 56.67 1rw5 n LYS 42 Cb 0.79 -1.47 -0.02 0.00 -0.51 0.00 0.00 35.03 33.82 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1rw5 n ARG 43 N 0.58 0.31 0.02 1.97 1.74 0.48 -4.29 116.66 117.46 1rw5 n ARG 43 Ca 0.17 0.12 0.11 0.00 -0.77 0.00 0.00 57.85 57.49 1rw5 n ARG 43 Cb 0.43 -1.02 -0.11 0.00 -1.02 0.00 0.00 32.46 30.75 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 -3.70 0.28 -1.58 -1.55 4.02 -0.99 -4.39 117.16 109.26 1rw5 n TYR 44 Ca -0.08 0.08 0.06 0.00 -0.01 0.00 0.00 57.90 57.96 1rw5 n TYR 44 Cb 0.30 -0.60 0.14 0.00 -0.02 0.00 0.00 39.34 39.16 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 -2.31 1.54 -0.19 -0.72 -2.24 -1.21 -4.65 114.28 104.50 1rw5 n THR 45 Ca -0.02 -2.22 0.16 0.00 -2.27 0.00 0.00 64.05 59.70 1rw5 n THR 45 Cb 0.54 0.01 0.51 0.00 -2.10 0.00 0.00 70.33 69.29 1rw5 n THR 45 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1rw5 h HIS 46 N 0.53 0.50 0.00 4.78 2.07 0.20 -3.33 115.15 119.90 1rw5 h HIS 46 Ca -0.03 0.01 -0.14 0.00 -2.85 0.00 0.00 60.37 57.36 1rw5 h HIS 46 Cb 1.17 -0.16 -0.12 0.00 2.57 0.00 0.00 27.41 30.87 1rw5 h HIS 46 CO 0.34 0.18 -0.23 0.41 -3.07 0.00 0.00 177.93 175.55 1rw5 n GLY 47 N -1.52 1.45 0.37 6.13 0.00 -1.26 -4.92 105.19 105.43 1rw5 n GLY 47 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 0.76 0.92 0.00 1.61 9.65 -1.83 -3.46 114.38 122.03 1rw5 h ARG 48 Ca -0.39 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1rw5 h ARG 48 Cb 1.25 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1rw5 h ARG 48 CO -0.17 0.61 0.00 0.41 2.80 0.00 0.00 179.97 183.62 1rw5 n GLY 49 N -1.40 3.09 0.58 2.80 0.00 -1.26 -4.82 105.19 104.18 1rw5 n GLY 49 Ca 0.15 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 0.42 -4.47 1.61 -1.74 -1.26 -4.84 117.46 107.18 1rw5 n PHE 50 Ca 0.00 -0.18 -0.34 0.00 -0.56 0.00 0.00 57.45 56.37 1rw5 n PHE 50 Cb 0.00 -0.06 -0.11 0.00 1.52 0.00 0.00 39.48 40.83 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 -1.65 3.92 -0.05 1.97 -4.36 -1.26 -5.09 121.20 114.67 1rw5 s ILE 51 Ca 0.17 -0.37 0.05 0.00 -0.26 0.00 0.00 60.65 60.24 1rw5 s ILE 51 Cb 0.10 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 41.14 1rw5 s ILE 51 CO 0.10 0.55 -0.22 -0.89 0.24 0.00 0.00 174.94 174.72 1rw5 s THR 52 N -0.28 1.78 0.37 8.37 2.01 -1.26 -5.02 115.64 121.62 1rw5 s THR 52 Ca 0.05 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.18 1rw5 s THR 52 Cb -0.13 -1.52 0.25 0.00 0.01 0.00 0.00 72.50 71.11 1rw5 s THR 52 CO 0.02 0.50 2.00 0.11 -0.69 0.00 0.00 174.62 176.57 1rw5 h LYS 53 N 6.18 0.69 -5.69 4.92 1.57 -2.01 -3.38 116.57 118.85 1rw5 h LYS 53 Ca -0.31 -0.06 -0.63 0.00 -1.87 0.00 0.00 60.65 57.78 1rw5 h LYS 53 Cb 1.18 -0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.21 1rw5 h LYS 53 CO 0.47 0.49 0.30 0.00 -0.57 0.00 0.00 179.45 180.15 1rw5 s ALA 54 N -5.53 3.33 0.03 3.86 0.00 -1.26 -5.02 121.76 117.18 1rw5 s ALA 54 Ca -0.09 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 1rw5 s ALA 54 Cb 0.17 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1rw5 s ALA 54 CO 0.75 -1.80 -0.03 0.96 0.00 0.00 0.00 175.76 175.64 1rw5 s ILE 55 N 3.14 0.20 -0.58 0.00 -5.25 -1.26 -5.05 121.20 112.39 1rw5 s ILE 55 Ca 0.28 -1.24 0.02 0.00 -0.99 0.00 0.00 60.65 58.72 1rw5 s ILE 55 Cb -0.13 -0.73 0.42 0.00 2.95 0.00 0.00 42.46 44.97 1rw5 s ILE 55 CO 0.21 -0.66 1.63 0.59 -1.79 0.00 0.00 174.94 174.91 1rw5 n ASN 56 N 1.07 6.33 -2.95 4.36 5.03 -1.26 -4.79 115.26 123.05 1rw5 n ASN 56 Ca -0.20 -3.78 -0.37 0.00 0.87 0.00 0.00 54.58 51.10 1rw5 n ASN 56 Cb 0.57 -0.74 0.01 0.00 -1.02 0.00 0.00 39.78 38.61 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1rw5 n SER 57 N -0.66 7.30 -4.42 6.41 2.88 -1.26 -4.94 113.62 118.93 1rw5 n SER 57 Ca 0.51 -3.64 -0.34 0.00 -1.33 0.00 0.00 58.87 54.07 1rw5 n SER 57 Cb 0.61 -1.14 -0.13 0.00 -0.75 0.00 0.00 64.21 62.80 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rw5 n HIS 59 N 3.82 0.94 0.48 0.00 8.25 -1.26 -3.95 115.22 123.50 1rw5 n HIS 59 Ca -0.18 0.34 0.13 0.00 -0.26 0.00 0.00 57.72 57.75 1rw5 n HIS 59 Cb 0.52 -1.17 0.45 0.00 1.12 0.00 0.00 29.99 30.92 1rw5 n HIS 59 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1rw5 h THR 60 N 0.00 0.00 -0.25 1.59 1.35 -1.96 -3.09 112.91 110.55 1rw5 h THR 60 Ca -0.29 -0.37 0.07 0.00 -0.55 0.00 0.00 66.41 65.27 1rw5 h THR 60 Cb 1.99 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.65 1rw5 h THR 60 CO 0.07 0.00 0.18 0.77 -0.25 0.00 0.00 175.52 176.29 1rw5 h SER 61 N 0.00 0.00 0.26 5.36 4.64 -2.00 0.18 113.55 121.99 1rw5 h SER 61 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rw5 h SER 61 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1rw5 h SER 61 CO 0.00 0.00 -0.04 0.77 -0.87 0.00 0.00 176.83 176.69 1rw5 h SER 62 N 0.00 0.00 -4.15 4.97 4.64 -1.80 -3.44 113.55 113.77 1rw5 h SER 62 Ca 0.12 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.90 1rw5 h SER 62 Cb 0.48 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.72 1rw5 h SER 62 CO -0.00 0.04 0.43 -0.76 -0.87 0.00 0.00 176.83 175.66 1rw5 s LEU 63 N -6.82 3.42 -1.03 5.97 1.02 0.62 -4.81 118.68 117.05 1rw5 s LEU 63 Ca -0.03 2.39 -0.11 0.00 0.02 0.00 0.00 54.13 56.39 1rw5 s LEU 63 Cb 0.13 -4.59 -0.07 0.00 0.02 0.00 0.00 46.19 41.67 1rw5 s LEU 63 CO 0.51 -2.08 2.19 0.00 0.02 0.00 0.00 176.35 177.00 1rw5 n ALA 64 N -2.38 4.83 -2.16 4.21 0.00 -1.26 -4.90 120.51 118.85 1rw5 n ALA 64 Ca 0.14 -2.70 -0.29 0.00 0.00 0.00 0.00 53.44 50.59 1rw5 n ALA 64 Cb 0.50 -3.26 -0.02 0.00 0.00 0.00 0.00 19.45 16.68 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rw5 s THR 65 N 3.62 4.81 -0.23 0.00 -4.23 -1.26 -4.96 115.64 113.39 1rw5 s THR 65 Ca 0.49 0.53 -0.32 0.00 -1.18 0.00 0.00 61.69 61.21 1rw5 s THR 65 Cb 0.13 -3.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 1rw5 s THR 65 CO -0.00 -0.73 2.14 -0.81 -0.54 0.00 0.00 174.62 174.67 1rw5 n PRO 66 N -1.85 1.74 -0.15 3.99 -0.04 -1.26 -4.84 135.00 132.60 1rw5 n PRO 66 Ca 0.02 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1rw5 n PRO 66 Cb 0.54 -2.85 0.27 0.00 -0.04 0.00 0.00 33.50 31.42 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 12.86 0.85 -3.42 0.54 4.81 -1.92 -3.46 114.58 124.83 1rw5 h GLU 67 Ca -0.38 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 1rw5 h GLU 67 Cb 1.27 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1rw5 h GLU 67 CO 0.98 0.62 0.08 0.16 -0.73 0.00 0.00 179.01 180.12 1rw5 s ASP 68 N -6.49 0.27 0.36 1.04 1.47 -1.26 -5.01 116.67 107.05 1rw5 s ASP 68 Ca -0.10 -1.19 0.03 0.00 1.18 0.00 0.00 52.55 52.47 1rw5 s ASP 68 Cb 0.17 0.76 0.67 0.00 -0.34 0.00 0.00 42.92 44.18 1rw5 s ASP 68 CO 0.78 -1.48 2.00 0.11 0.68 0.00 0.00 175.17 177.25 1rw5 h LYS 69 N 2.06 0.80 -0.41 2.11 1.57 -1.99 -0.32 116.57 120.40 1rw5 h LYS 69 Ca -0.29 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1rw5 h LYS 69 Cb 1.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1rw5 h LYS 69 CO 0.38 0.53 0.18 0.93 -0.57 0.00 0.00 179.45 180.90 1rw5 h GLU 70 N 0.82 0.60 -0.48 3.15 5.08 -1.99 0.12 114.58 121.88 1rw5 h GLU 70 Ca 0.25 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 1rw5 h GLU 70 Cb -0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1rw5 h GLU 70 CO -0.06 0.54 -0.22 0.37 -1.00 0.00 0.00 179.01 178.64 1rw5 h GLN 71 N 0.51 1.00 -1.00 2.33 4.15 -1.80 -2.13 115.11 118.16 1rw5 h GLN 71 Ca 0.14 -0.43 0.02 0.00 0.77 0.00 0.00 58.65 59.15 1rw5 h GLN 71 Cb 0.16 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 1rw5 h GLN 71 CO -0.01 1.11 0.66 0.00 -1.93 0.00 0.00 178.83 178.65 1rw5 h ALA 72 N 0.88 1.29 -0.94 3.38 0.00 -0.75 0.27 119.26 123.39 1rw5 h ALA 72 Ca 0.11 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1rw5 h ALA 72 Cb 0.80 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1rw5 h ALA 72 CO 0.07 0.61 0.62 0.37 0.00 0.00 0.00 179.25 180.92 1rw5 h GLN 73 N 1.32 1.18 -0.15 0.00 4.15 -0.59 0.71 115.11 121.73 1rw5 h GLN 73 Ca 0.38 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.66 1rw5 h GLN 73 Cb -0.09 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.32 1rw5 h GLN 73 CO -0.10 0.78 -0.23 1.96 -1.93 0.00 0.00 178.83 179.32 1rw5 h GLN 74 N 1.22 0.26 -5.25 1.69 4.20 0.02 -3.40 115.11 113.85 1rw5 h GLN 74 Ca 0.36 -0.08 -0.62 0.00 0.06 0.00 0.00 58.65 58.37 1rw5 h GLN 74 Cb -0.05 -0.02 -0.14 0.00 0.30 0.00 0.00 27.48 27.57 1rw5 h GLN 74 CO -0.10 0.48 -0.17 -1.64 -0.67 0.00 0.00 178.83 176.73 1rw5 s MET 75 N -4.52 4.05 -0.04 1.46 -1.94 0.54 -4.87 119.30 113.97 1rw5 s MET 75 Ca -0.05 0.15 0.09 0.00 -1.71 0.00 0.00 55.69 54.16 1rw5 s MET 75 Cb 0.15 -3.64 0.17 0.00 2.01 0.00 0.00 34.83 33.52 1rw5 s MET 75 CO 0.75 -0.26 1.10 0.27 -0.01 0.00 0.00 175.02 176.86 1rw5 n ASN 76 N 5.26 -0.44 0.00 3.03 0.23 -1.26 -4.81 115.26 117.27 1rw5 n ASN 76 Ca -0.07 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 1rw5 n ASN 76 Cb 0.50 0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 1rw5 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1rw5 n GLN 77 N -0.04 2.01 0.11 -3.83 6.02 -1.26 -4.97 117.38 115.42 1rw5 n GLN 77 Ca -0.17 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.02 1rw5 n GLN 77 Cb 0.83 0.00 0.73 0.00 1.02 0.00 0.00 30.24 32.82 1rw5 n GLN 77 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1rw5 h LYS 78 N 0.00 0.00 -0.91 -1.09 3.64 -1.99 -1.48 116.57 114.73 1rw5 h LYS 78 Ca 0.00 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1rw5 h LYS 78 Cb 0.00 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.73 1rw5 h LYS 78 CO 0.00 0.00 0.52 -0.44 -2.27 0.00 0.00 179.45 177.26 1rw5 h ASP 79 N 0.00 0.70 -0.04 4.20 3.32 -1.98 0.39 116.42 123.02 1rw5 h ASP 79 Ca 0.19 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1rw5 h ASP 79 Cb 1.15 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 1rw5 h ASP 79 CO -0.00 0.32 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.56 1rw5 h PHE 80 N 0.77 0.10 -0.93 4.55 -1.00 -1.61 -2.02 116.94 116.80 1rw5 h PHE 80 Ca 0.48 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.23 1rw5 h PHE 80 Cb 0.62 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.11 1rw5 h PHE 80 CO -0.05 0.50 0.55 -0.07 -1.61 0.00 0.00 178.31 177.63 1rw5 h LEU 81 N -0.33 1.13 -1.23 1.54 4.07 -1.47 -1.77 115.31 117.24 1rw5 h LEU 81 Ca 0.01 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1rw5 h LEU 81 Cb 0.47 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1rw5 h LEU 81 CO 0.01 0.87 -0.17 0.77 -1.08 0.00 0.00 178.44 178.84 1rw5 h SER 82 N 1.29 0.30 -0.19 -0.43 4.64 -0.20 -2.61 113.55 116.35 1rw5 h SER 82 Ca 0.33 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 1rw5 h SER 82 Cb -0.04 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1rw5 h SER 82 CO -0.06 0.50 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.16 1rw5 h LEU 83 N 0.29 0.60 0.00 5.97 3.38 -0.56 -2.30 115.31 122.69 1rw5 h LEU 83 Ca 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1rw5 h LEU 83 Cb 0.48 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1rw5 h LEU 83 CO 0.03 0.79 0.00 -0.38 0.09 0.00 0.00 178.44 178.97 1rw5 n ILE 84 N -4.15 0.08 -0.13 1.22 5.41 -0.99 -2.78 119.36 118.02 1rw5 n ILE 84 Ca 0.00 0.02 -0.17 0.00 1.00 0.00 0.00 62.75 63.61 1rw5 n ILE 84 Cb 0.37 -0.65 -0.12 0.00 -0.71 0.00 0.00 39.64 38.53 1rw5 n ILE 84 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1rw5 n VAL 85 N -1.08 1.47 -0.20 1.39 0.31 -0.89 -4.01 118.33 115.32 1rw5 n VAL 85 Ca 0.16 -0.60 -0.08 0.00 -0.01 0.00 0.00 64.34 63.81 1rw5 n VAL 85 Cb 0.11 -1.31 0.02 0.00 -0.91 0.00 0.00 33.84 31.74 1rw5 n VAL 85 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1rw5 h SER 86 N 0.00 0.86 0.43 4.52 0.02 -1.43 -2.38 113.55 115.58 1rw5 h SER 86 Ca -0.57 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 1rw5 h SER 86 Cb 1.93 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.25 1rw5 h SER 86 CO -0.08 0.88 -0.21 0.40 -1.14 0.00 0.00 176.83 176.69 1rw5 h ILE 87 N 0.81 0.47 -0.72 3.27 2.04 -1.73 -0.56 117.51 121.09 1rw5 h ILE 87 Ca 0.18 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1rw5 h ILE 87 Cb 0.36 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 1rw5 h ILE 87 CO 0.00 0.07 0.39 -0.07 0.00 0.00 0.00 178.15 178.55 1rw5 h LEU 88 N -0.91 0.56 -0.55 1.44 3.38 -1.69 -2.03 115.31 115.52 1rw5 h LEU 88 Ca -0.06 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1rw5 h LEU 88 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1rw5 h LEU 88 CO 0.10 0.34 -0.50 0.03 0.09 0.00 0.00 178.44 178.50 1rw5 h ARG 89 N 0.69 0.59 -0.83 1.13 3.08 -1.45 -2.81 114.38 114.78 1rw5 h ARG 89 Ca 0.33 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1rw5 h ARG 89 Cb 0.27 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1rw5 h ARG 89 CO -0.22 0.96 0.51 1.03 -1.07 0.00 0.00 179.97 181.17 1rw5 h SER 90 N 0.47 0.99 0.47 7.04 0.87 -0.39 -2.55 113.55 120.44 1rw5 h SER 90 Ca 0.02 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1rw5 h SER 90 Cb 1.03 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1rw5 h SER 90 CO 0.10 0.75 -0.35 0.79 -0.53 0.00 0.00 176.83 177.58 1rw5 n TRP 91 N -4.38 0.00 -0.26 2.24 7.02 -0.95 -4.13 117.44 116.99 1rw5 n TRP 91 Ca 0.09 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.52 1rw5 n TRP 91 Cb 0.06 -0.24 0.06 0.00 -2.42 0.00 0.00 31.31 28.77 1rw5 n TRP 91 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1rw5 h ASN 92 N 0.35 0.87 0.31 -0.99 -1.24 -1.18 -2.54 115.58 111.17 1rw5 h ASN 92 Ca 0.00 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 1rw5 h ASN 92 Cb 0.49 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1rw5 h ASN 92 CO 0.00 0.68 -0.15 -0.08 -1.29 0.00 0.00 177.43 176.59 1rw5 h GLU 93 N 0.99 -0.41 -1.03 6.67 4.81 -1.72 -3.14 114.58 120.76 1rw5 h GLU 93 Ca 0.26 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 59.80 1rw5 h GLU 93 Cb -0.04 0.09 -0.12 0.00 0.63 0.00 0.00 28.75 29.31 1rw5 h GLU 93 CO -0.05 -0.10 0.62 -1.35 -0.73 0.00 0.00 179.01 177.41 1rw5 h PRO 94 N -0.97 0.44 -0.23 0.92 0.11 -1.75 0.33 132.00 130.85 1rw5 h PRO 94 Ca -0.04 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1rw5 h PRO 94 Cb 0.50 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1rw5 h PRO 94 CO 0.07 0.29 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.81 1rw5 h LEU 95 N 0.45 0.45 0.03 2.35 3.38 -1.51 -2.77 115.31 117.68 1rw5 h LEU 95 Ca 0.66 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.51 1rw5 h LEU 95 Cb 1.48 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1rw5 h LEU 95 CO -0.46 0.71 -0.25 0.22 0.09 0.00 0.00 178.44 178.75 1rw5 h TYR 96 N 0.39 -0.67 -0.77 1.13 3.20 -0.28 -1.78 116.97 118.20 1rw5 h TYR 96 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1rw5 h TYR 96 Cb 0.67 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1rw5 h TYR 96 CO 0.02 -0.34 0.38 0.45 -1.64 0.00 0.00 178.16 177.03 1rw5 h HIS 97 N -0.40 1.07 -0.55 -3.82 3.86 -1.49 -2.25 115.15 111.58 1rw5 h HIS 97 Ca 0.06 -0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 1rw5 h HIS 97 Cb 0.47 -0.34 -0.07 0.00 1.06 0.00 0.00 27.41 28.53 1rw5 h HIS 97 CO -0.27 0.77 0.15 -0.07 0.86 0.00 0.00 177.93 179.37 1rw5 h LEU 98 N 1.08 0.09 -0.57 2.43 4.07 -1.06 -0.17 115.31 121.19 1rw5 h LEU 98 Ca 0.27 0.09 -0.16 0.00 0.08 0.00 0.00 57.88 58.15 1rw5 h LEU 98 Cb 0.08 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1rw5 h LEU 98 CO -0.04 0.07 -0.68 1.62 -1.08 0.00 0.00 178.44 178.33 1rw5 h VAL 99 N 0.31 1.43 0.23 1.22 3.04 -1.07 -2.01 116.25 119.39 1rw5 h VAL 99 Ca 0.27 -2.18 -0.01 0.00 -1.01 0.00 0.00 66.70 63.77 1rw5 h VAL 99 Cb 0.36 2.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1rw5 h VAL 99 CO -0.32 0.64 -0.11 0.74 -1.01 0.00 0.00 177.57 177.51 1rw5 h THR 100 N 0.13 0.77 -0.51 3.17 2.02 -0.72 -2.15 112.91 115.62 1rw5 h THR 100 Ca -0.02 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.20 1rw5 h THR 100 Cb 1.21 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 1rw5 h THR 100 CO 0.10 0.17 -0.12 -0.08 0.37 0.00 0.00 175.52 175.96 1rw5 h GLU 101 N -0.80 0.95 -0.49 6.66 4.57 -1.16 -2.81 114.58 121.50 1rw5 h GLU 101 Ca -0.03 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 57.77 1rw5 h GLU 101 Cb 0.51 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1rw5 h GLU 101 CO 0.05 1.01 0.15 0.28 -1.18 0.00 0.00 179.01 179.32 1rw5 h VAL 102 N 0.85 1.20 -0.86 0.32 2.07 -1.43 -2.00 116.25 116.40 1rw5 h VAL 102 Ca 0.13 -0.68 0.14 0.00 0.82 0.00 0.00 66.70 67.11 1rw5 h VAL 102 Cb 0.66 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 1rw5 h VAL 102 CO 0.05 0.26 0.56 -0.09 0.02 0.00 0.00 177.57 178.36 1rw5 h ARG 103 N 0.71 0.64 -0.23 1.57 2.43 -1.11 0.29 114.38 118.69 1rw5 h ARG 103 Ca 0.16 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rw5 h ARG 103 Cb 0.21 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1rw5 h ARG 103 CO -0.01 0.43 0.00 0.41 -1.51 0.00 0.00 179.97 179.29 1rw5 n GLY 104 N -1.45 0.26 3.54 2.80 0.00 -0.76 -4.80 105.19 104.79 1rw5 n GLY 104 Ca 0.16 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.70 3.43 0.21 1.61 -2.45 0.10 -4.91 119.30 115.59 1rw5 s MET 105 Ca 0.25 -0.12 -0.09 0.00 -1.25 0.00 0.00 55.69 54.49 1rw5 s MET 105 Cb 0.13 -3.92 0.16 0.00 1.25 0.00 0.00 34.83 32.45 1rw5 s MET 105 CO 0.19 -1.05 1.81 1.96 1.05 0.00 0.00 175.02 178.98 1rw5 h GLN 106 N 8.88 1.13 0.00 4.11 4.20 -1.87 -0.55 115.11 131.01 1rw5 h GLN 106 Ca -0.25 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.22 1rw5 h GLN 106 Cb 1.09 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1rw5 h GLN 106 CO 0.93 0.87 -0.37 0.93 -0.67 0.00 0.00 178.83 180.52 1rw5 h GLU 107 N 1.11 0.00 -2.13 1.46 5.08 -1.95 -3.33 114.58 114.81 1rw5 h GLU 107 Ca 0.27 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.05 1rw5 h GLU 107 Cb 0.10 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.95 1rw5 h GLU 107 CO -0.04 0.37 -0.92 0.00 -1.00 0.00 0.00 179.01 177.43 1rw5 n ALA 108 N -2.44 3.02 -0.04 3.43 0.00 -0.74 -4.94 120.51 118.80 1rw5 n ALA 108 Ca -0.02 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.57 1rw5 n ALA 108 Cb 0.42 -0.84 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 1.37 0.00 -0.54 0.00 -0.04 -0.29 -4.38 135.00 131.11 1rw5 n PRO 109 Ca 0.24 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 1rw5 n PRO 109 Cb 0.48 -0.78 0.34 0.00 -0.04 0.00 0.00 33.50 33.51 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 -2.15 3.48 0.00 0.54 1.02 -1.26 -3.92 120.64 118.35 1rw5 n GLU 110 Ca 0.00 -2.82 0.00 0.00 -0.02 0.00 0.00 57.16 54.32 1rw5 n GLU 110 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 1.17 0.00 0.14 0.62 0.00 -1.26 -4.06 120.51 117.12 1rw5 n ALA 111 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1rw5 n ALA 111 Cb 0.82 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.43 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 -0.32 0.00 2.04 -1.82 -3.11 117.51 115.59 1rw5 h ILE 112 Ca 0.00 -2.16 -0.04 0.00 1.00 0.00 0.00 64.86 63.66 1rw5 h ILE 112 Cb 0.00 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1rw5 h ILE 112 CO 0.00 0.59 0.03 0.25 0.00 0.00 0.00 178.15 179.02 1rw5 h LEU 113 N 0.00 0.44 -0.55 1.44 6.46 -1.79 -1.96 115.31 119.34 1rw5 h LEU 113 Ca -0.01 -0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.76 1rw5 h LEU 113 Cb 1.17 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.92 1rw5 h LEU 113 CO 0.08 0.49 0.23 0.28 -0.62 0.00 0.00 178.44 178.90 1rw5 h SER 114 N 0.46 0.27 1.02 1.25 0.02 -1.68 -0.42 113.55 114.48 1rw5 h SER 114 Ca 0.11 0.06 -0.19 0.00 -0.84 0.00 0.00 61.79 60.92 1rw5 h SER 114 Cb 0.26 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1rw5 h SER 114 CO 0.00 0.18 -0.91 0.11 -1.14 0.00 0.00 176.83 175.08 1rw5 h LYS 115 N 0.44 0.00 -0.37 3.45 1.57 -1.67 -3.18 116.57 116.81 1rw5 h LYS 115 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1rw5 h LYS 115 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1rw5 h LYS 115 CO -0.24 0.91 -0.14 0.00 -0.57 0.00 0.00 179.45 179.41 1rw5 h ALA 116 N 1.09 1.06 -0.08 3.86 0.00 -0.56 0.48 119.26 125.11 1rw5 h ALA 116 Ca -0.01 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 1rw5 h ALA 116 Cb 1.66 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.30 1rw5 h ALA 116 CO 0.12 0.57 -0.85 -0.24 0.00 0.00 0.00 179.25 178.85 1rw5 h VAL 117 N 0.61 1.32 0.00 0.00 3.04 -1.17 -2.96 116.25 117.10 1rw5 h VAL 117 Ca 0.10 -2.15 -0.15 0.00 -1.01 0.00 0.00 66.70 63.49 1rw5 h VAL 117 Cb 0.58 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 32.00 1rw5 h VAL 117 CO 0.04 0.66 -0.91 1.05 -1.01 0.00 0.00 177.57 177.40 1rw5 h GLU 118 N 0.40 0.00 -0.26 4.17 4.11 -1.50 -3.16 114.58 118.34 1rw5 h GLU 118 Ca -0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.19 1rw5 h GLU 118 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1rw5 h GLU 118 CO 0.16 0.55 -0.51 0.97 0.07 0.00 0.00 179.01 180.24 1rw5 h ILE 119 N 0.00 1.29 0.00 -1.06 2.10 -0.08 -1.44 117.51 118.32 1rw5 h ILE 119 Ca -0.06 -1.71 -0.09 0.00 1.08 0.00 0.00 64.86 64.08 1rw5 h ILE 119 Cb 1.55 1.71 -0.01 0.00 -1.09 0.00 0.00 36.82 38.98 1rw5 h ILE 119 CO 0.07 0.55 -0.41 -0.08 -1.08 0.00 0.00 178.15 177.20 1rw5 h GLU 120 N 0.56 0.00 0.13 2.19 4.81 -1.62 -2.24 114.58 118.41 1rw5 h GLU 120 Ca 0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.97 1rw5 h GLU 120 Cb 1.12 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.53 1rw5 h GLU 120 CO 0.11 0.41 -1.12 0.93 -0.73 0.00 0.00 179.01 178.61 1rw5 h GLU 121 N 0.00 0.53 -0.15 1.92 5.08 -1.49 -3.28 114.58 117.19 1rw5 h GLU 121 Ca -0.00 -0.75 -0.11 0.00 -1.00 0.00 0.00 59.36 57.50 1rw5 h GLU 121 Cb 0.75 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1rw5 h GLU 121 CO 0.05 1.33 -0.40 1.96 -1.00 0.00 0.00 179.01 180.96 1rw5 h GLN 122 N 0.09 0.32 -0.78 2.33 4.20 -1.21 -2.44 115.11 117.62 1rw5 h GLN 122 Ca -0.18 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.40 1rw5 h GLN 122 Cb 1.83 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.57 1rw5 h GLN 122 CO 0.21 0.67 0.52 1.79 -0.67 0.00 0.00 178.83 181.35 1rw5 h THR 123 N 0.27 1.18 0.03 -0.54 1.35 -1.48 0.27 112.91 113.98 1rw5 h THR 123 Ca 0.03 -0.35 -0.23 0.00 -0.55 0.00 0.00 66.41 65.31 1rw5 h THR 123 Cb 0.82 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.30 1rw5 h THR 123 CO 0.07 0.19 -0.98 0.11 -0.25 0.00 0.00 175.52 174.65 1rw5 h LYS 124 N 1.03 0.30 -0.15 4.72 1.57 -1.58 -1.13 116.57 121.32 1rw5 h LYS 124 Ca 0.29 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1rw5 h LYS 124 Cb -0.07 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1rw5 h LYS 124 CO -0.07 1.08 0.07 -0.09 -0.57 0.00 0.00 179.45 179.87 1rw5 h ARG 125 N 0.15 0.22 -0.85 3.15 2.43 -0.81 0.42 114.38 119.09 1rw5 h ARG 125 Ca -0.08 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1rw5 h ARG 125 Cb 1.64 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.11 1rw5 h ARG 125 CO 0.16 0.26 0.52 1.25 -1.51 0.00 0.00 179.97 180.65 1rw5 h LEU 126 N 0.12 1.01 -0.72 3.80 6.46 -0.50 0.22 115.31 125.71 1rw5 h LEU 126 Ca 0.05 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1rw5 h LEU 126 Cb 0.11 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 1rw5 h LEU 126 CO -0.01 0.77 0.40 0.25 -0.62 0.00 0.00 178.44 179.24 1rw5 h LEU 127 N 1.17 0.89 -0.45 2.25 5.85 -0.17 0.27 115.31 125.13 1rw5 h LEU 127 Ca 0.31 -0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 1rw5 h LEU 127 Cb -0.06 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1rw5 h LEU 127 CO -0.06 0.72 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.19 1rw5 h GLU 128 N 0.99 0.95 0.34 1.25 5.08 0.98 -1.23 114.58 122.94 1rw5 h GLU 128 Ca 0.25 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1rw5 h GLU 128 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1rw5 h GLU 128 CO -0.04 1.09 -0.22 0.78 -1.00 0.00 0.00 179.01 179.61 1rw5 h GLY 129 N 0.79 -0.57 2.00 -3.84 0.00 0.18 -1.96 103.07 99.67 1rw5 h GLY 129 Ca 0.10 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1rw5 h GLY 129 CO 0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 176.54 176.30 1rw5 h MET 130 N -0.55 0.00 0.00 4.80 -0.00 -0.44 -2.14 114.93 116.60 1rw5 h MET 130 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 1rw5 h MET 130 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.06 1rw5 h MET 130 CO 0.02 0.09 -0.07 0.93 -0.00 0.00 0.00 176.91 177.87 1rw5 h GLU 131 N 0.00 0.00 -0.05 -0.10 5.08 -0.41 -1.04 114.58 118.06 1rw5 h GLU 131 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1rw5 h GLU 131 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1rw5 h GLU 131 CO 0.01 0.07 -0.89 -0.07 -1.00 0.00 0.00 179.01 177.14 1rw5 h LEU 132 N 0.00 0.69 0.64 1.33 4.07 -1.33 -2.11 115.31 118.60 1rw5 h LEU 132 Ca -0.00 -0.51 -0.03 0.00 0.08 0.00 0.00 57.88 57.42 1rw5 h LEU 132 Cb 0.16 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1rw5 h LEU 132 CO 0.01 1.30 -0.40 0.40 -1.08 0.00 0.00 178.44 178.67 1rw5 h ILE 133 N 0.34 0.20 -0.91 1.22 5.03 -1.26 0.86 117.51 123.00 1rw5 h ILE 133 Ca -0.08 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1rw5 h ILE 133 Cb 1.51 0.20 -0.04 0.00 -3.03 0.00 0.00 36.82 35.46 1rw5 h ILE 133 CO 0.16 0.00 0.55 1.62 -0.68 0.00 0.00 178.15 179.80 1rw5 h VAL 134 N -0.98 1.25 0.00 1.67 3.04 -1.51 0.87 116.25 120.59 1rw5 h VAL 134 Ca -0.08 -0.53 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 1rw5 h VAL 134 Cb 0.79 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.04 1rw5 h VAL 134 CO 0.08 0.26 -0.15 0.28 -1.01 0.00 0.00 177.57 177.03 1rw5 h SER 135 N 1.25 0.00 0.07 3.17 0.02 -1.00 0.96 113.55 118.01 1rw5 h SER 135 Ca 0.33 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.91 1rw5 h SER 135 Cb -0.06 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1rw5 h SER 135 CO -0.06 0.15 -2.07 1.67 -1.14 0.00 0.00 176.83 175.38 1rw5 n GLN 136 N -3.51 0.69 -0.13 3.45 -0.06 0.30 -3.32 117.38 114.79 1rw5 n GLN 136 Ca -0.01 0.28 -0.10 0.00 -2.00 0.00 0.00 57.00 55.17 1rw5 n GLN 136 Cb 0.30 -1.65 -0.01 0.00 -4.06 0.00 0.00 30.24 24.82 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 -0.18 1.24 -3.09 1.69 2.07 0.77 -3.37 116.25 115.37 1rw5 h VAL 137 Ca -0.48 -0.84 -0.61 0.00 0.82 0.00 0.00 66.70 65.58 1rw5 h VAL 137 Cb 1.86 1.05 -0.40 0.00 -1.52 0.00 0.00 31.29 32.28 1rw5 h VAL 137 CO -0.04 0.29 -0.73 -1.00 0.02 0.00 0.00 177.57 176.11 1rw5 s HIS 138 N -5.20 2.17 0.57 1.57 3.76 0.33 -4.97 115.29 113.51 1rw5 s HIS 138 Ca -0.13 -2.44 0.35 0.00 -0.15 0.00 0.00 55.06 52.69 1rw5 s HIS 138 Cb 0.10 -2.02 1.45 0.00 1.11 0.00 0.00 32.58 33.22 1rw5 s HIS 138 CO 0.77 -0.80 1.70 -1.35 -0.85 0.00 0.00 174.74 174.21 1rw5 h PRO 139 N 6.95 0.00 -5.45 8.40 0.11 -1.72 -3.37 132.00 136.92 1rw5 h PRO 139 Ca -0.04 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.40 1rw5 h PRO 139 Cb 0.94 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.76 1rw5 h PRO 139 CO 0.50 0.00 -0.82 -1.21 -0.21 0.00 0.00 178.00 176.26 1rw5 s GLU 140 N -4.77 3.12 -0.04 1.05 2.02 -1.26 -4.97 118.70 113.84 1rw5 s GLU 140 Ca -0.04 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.21 1rw5 s GLU 140 Cb 0.20 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.99 1rw5 s GLU 140 CO 0.70 0.24 -0.20 0.99 0.02 0.00 0.00 175.26 177.01 1rw5 s THR 141 N 0.24 1.64 0.07 3.63 2.01 -1.26 -5.05 115.64 116.93 1rw5 s THR 141 Ca -0.12 -0.84 -0.33 0.00 0.31 0.00 0.00 61.69 60.70 1rw5 s THR 141 Cb -0.16 -1.40 -0.19 0.00 0.01 0.00 0.00 72.50 70.76 1rw5 s THR 141 CO 0.07 0.47 1.61 0.11 -0.69 0.00 0.00 174.62 176.19 1rw5 h LYS 142 N 6.11 -0.86 -2.84 4.92 1.57 -1.99 -3.44 116.57 120.03 1rw5 h LYS 142 Ca -0.33 0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.35 1rw5 h LYS 142 Cb 1.17 0.20 -0.28 0.00 0.08 0.00 0.00 32.23 33.40 1rw5 h LYS 142 CO 0.48 -0.57 -0.38 -1.83 -0.57 0.00 0.00 179.45 176.57 1rw5 s GLU 143 N -6.02 0.31 -0.06 3.15 -1.05 -1.26 -5.04 118.70 108.74 1rw5 s GLU 143 Ca -0.18 0.64 0.09 0.00 -0.15 0.00 0.00 54.97 55.38 1rw5 s GLU 143 Cb 0.03 -0.04 -0.24 0.00 -0.44 0.00 0.00 34.13 33.44 1rw5 s GLU 143 CO 0.62 -0.15 0.60 0.09 0.95 0.00 0.00 175.26 177.37 1rw5 n ASN 144 N 4.10 1.08 -4.60 0.83 3.02 -1.26 -4.78 115.26 113.65 1rw5 n ASN 144 Ca -0.23 0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 54.26 1rw5 n ASN 144 Cb 0.55 -0.18 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1rw5 n ASN 144 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1rw5 s GLU 145 N -2.59 3.68 -0.32 3.52 -1.05 -1.26 -4.82 118.70 115.87 1rw5 s GLU 145 Ca -0.08 0.57 0.04 0.00 -0.15 0.00 0.00 54.97 55.36 1rw5 s GLU 145 Cb 0.08 -3.93 0.18 0.00 -0.44 0.00 0.00 34.13 30.01 1rw5 s GLU 145 CO 0.82 -1.44 0.50 0.42 0.95 0.00 0.00 175.26 176.51 1rw5 s ILE 146 N 4.63 -0.78 0.15 1.83 1.01 -1.26 -5.12 121.20 121.67 1rw5 s ILE 146 Ca 0.49 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.81 1rw5 s ILE 146 Cb -0.08 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 1rw5 s ILE 146 CO 0.31 -0.18 0.29 -0.72 0.00 0.00 0.00 174.94 174.64 1rw5 s TYR 147 N 2.38 0.28 0.87 3.97 -0.85 -1.26 -3.77 117.35 118.96 1rw5 s TYR 147 Ca 0.12 -0.65 -0.12 0.00 -0.52 0.00 0.00 57.07 55.90 1rw5 s TYR 147 Cb -0.10 -0.01 0.11 0.00 0.38 0.00 0.00 41.96 42.34 1rw5 s TYR 147 CO -0.22 -0.70 1.09 -2.14 -1.52 0.00 0.00 175.55 172.07 1rw5 s PRO 148 N -3.93 1.47 -0.28 -3.49 0.02 -1.26 -5.00 135.00 122.52 1rw5 s PRO 148 Ca 0.13 0.76 -0.14 0.00 0.02 0.00 0.00 61.00 61.77 1rw5 s PRO 148 Cb 0.03 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.68 1rw5 s PRO 148 CO -0.03 -2.07 0.34 0.08 -0.33 0.00 0.00 177.00 174.99 1rw5 s VAL 149 N -3.00 5.19 -0.65 3.83 1.01 -1.26 -4.94 120.40 120.57 1rw5 s VAL 149 Ca 0.63 0.42 -0.26 0.00 0.00 0.00 0.00 61.98 62.77 1rw5 s VAL 149 Cb -0.17 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1rw5 s VAL 149 CO 0.56 0.13 2.42 1.87 0.00 0.00 0.00 175.10 180.08 1rw5 n TRP 150 N 5.30 1.26 0.68 5.22 -0.00 -1.26 -4.70 117.44 123.95 1rw5 n TRP 150 Ca -0.09 0.05 0.11 0.00 -0.00 0.00 0.00 57.50 57.57 1rw5 n TRP 150 Cb 0.51 -2.59 -0.10 0.00 -0.00 0.00 0.00 31.31 29.13 1rw5 n TRP 150 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1rw5 n SER 151 N 17.08 0.67 -4.04 5.87 2.88 -1.26 -4.97 113.62 129.85 1rw5 n SER 151 Ca 0.43 -0.60 -0.30 0.00 -1.33 0.00 0.00 58.87 57.07 1rw5 n SER 151 Cb 0.47 1.19 0.21 0.00 -0.75 0.00 0.00 64.21 65.34 1rw5 n SER 151 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1rw5 s GLY 152 N -3.48 1.65 -1.04 0.46 0.00 -1.26 -4.32 107.32 99.32 1rw5 s GLY 152 Ca 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 1rw5 s GLY 152 CO 0.86 -0.17 0.82 1.04 0.00 0.00 0.00 173.10 175.66 1rw5 n LEU 153 N -4.32 -4.26 0.15 0.66 4.32 -1.26 -4.84 117.00 107.45 1rw5 n LEU 153 Ca 0.13 -0.79 0.13 0.00 -0.02 0.00 0.00 56.01 55.45 1rw5 n LEU 153 Cb 0.59 -2.75 0.65 0.00 -1.62 0.00 0.00 43.42 40.29 1rw5 n LEU 153 CO 0.47 0.14 1.12 1.55 -1.22 0.00 0.00 177.39 179.45 1rw5 h PRO 154 N -1.24 0.02 -1.18 3.23 0.13 -1.98 -3.41 132.00 127.58 1rw5 h PRO 154 Ca -0.56 -0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.68 1rw5 h PRO 154 Cb 1.30 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.22 1rw5 h PRO 154 CO 0.44 0.01 -0.12 0.45 -0.23 0.00 0.00 178.00 178.55 1rw5 s SER 155 N -6.73 -1.11 0.58 1.44 0.15 -1.26 -5.01 113.70 101.77 1rw5 s SER 155 Ca -0.05 0.98 0.35 0.00 0.70 0.00 0.00 55.95 57.93 1rw5 s SER 155 Cb 0.18 2.04 1.76 0.00 -1.71 0.00 0.00 66.02 68.30 1rw5 s SER 155 CO 0.70 -0.21 2.15 -0.07 1.20 0.00 0.00 173.24 177.00 1rw5 h LEU 156 N 7.94 0.00 -1.91 3.45 -0.00 -2.00 -2.68 115.31 120.12 1rw5 h LEU 156 Ca -0.20 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.79 1rw5 h LEU 156 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 1rw5 h LEU 156 CO 0.15 0.04 0.47 1.56 -0.00 0.00 0.00 178.44 180.66 1rw5 h GLN 157 N 0.00 0.00 -5.28 1.13 4.20 -1.98 -3.40 115.11 109.78 1rw5 h GLN 157 Ca -0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 1rw5 h GLN 157 Cb 0.28 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 1rw5 h GLN 157 CO 0.01 0.00 1.49 -1.33 -0.67 0.00 0.00 178.83 178.33 1rw5 n MET 158 N -3.53 0.47 -0.59 1.46 2.81 -1.02 -4.73 117.12 112.00 1rw5 n MET 158 Ca 0.06 -0.13 0.06 0.00 -1.81 0.00 0.00 57.70 55.88 1rw5 n MET 158 Cb 0.63 -2.49 0.29 0.00 -0.71 0.00 0.00 33.22 30.93 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rw5 n ALA 159 N 13.11 3.32 -2.69 3.04 0.00 -1.26 -4.26 120.51 131.78 1rw5 n ALA 159 Ca 0.53 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1rw5 n ALA 159 Cb 0.30 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1rw5 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rw5 s ASP 160 N -0.64 7.14 0.40 0.00 2.15 -1.26 -4.91 116.67 119.55 1rw5 s ASP 160 Ca 0.39 1.40 0.12 0.00 0.43 0.00 0.00 52.55 54.89 1rw5 s ASP 160 Cb 0.28 -2.51 0.93 0.00 -0.30 0.00 0.00 42.92 41.33 1rw5 s ASP 160 CO 0.14 -0.36 1.93 -0.33 -0.17 0.00 0.00 175.17 176.38 1rw5 h GLU 161 N 7.07 0.53 0.03 4.34 5.08 -1.98 0.38 114.58 130.02 1rw5 h GLU 161 Ca -0.34 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 1rw5 h GLU 161 Cb 1.16 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1rw5 h GLU 161 CO 0.82 0.35 -0.29 0.93 -1.00 0.00 0.00 179.01 179.81 1rw5 h GLU 162 N 0.54 0.15 0.28 2.33 5.08 -1.96 -2.92 114.58 118.09 1rw5 h GLU 162 Ca 0.36 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1rw5 h GLU 162 Cb 0.64 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1rw5 h GLU 162 CO -0.13 1.00 -0.14 1.03 -1.00 0.00 0.00 179.01 179.78 1rw5 h SER 163 N -0.60 -0.32 -0.86 1.42 0.87 -1.81 -3.08 113.55 109.17 1rw5 h SER 163 Ca -0.04 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.40 1rw5 h SER 163 Cb 1.13 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 1rw5 h SER 163 CO 0.06 0.08 0.55 -0.09 -0.53 0.00 0.00 176.83 176.90 1rw5 h ARG 164 N -0.79 0.82 -0.94 2.24 9.65 -0.43 -0.37 114.38 124.56 1rw5 h ARG 164 Ca -0.04 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 58.87 1rw5 h ARG 164 Cb 0.51 -0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 28.83 1rw5 h ARG 164 CO 0.06 0.54 0.59 -0.07 2.80 0.00 0.00 179.97 183.89 1rw5 h LEU 165 N 0.84 0.90 -1.24 3.80 4.07 -1.49 0.35 115.31 122.54 1rw5 h LEU 165 Ca 0.39 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.42 1rw5 h LEU 165 Cb 0.40 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.94 1rw5 h LEU 165 CO -0.16 0.55 0.53 0.28 -1.08 0.00 0.00 178.44 178.56 1rw5 h SER 166 N 1.02 0.85 -1.00 -0.43 0.02 -0.98 0.85 113.55 113.88 1rw5 h SER 166 Ca 0.43 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.46 1rw5 h SER 166 Cb 0.27 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 1rw5 h SER 166 CO -0.21 0.58 0.64 0.00 -1.14 0.00 0.00 176.83 176.70 1rw5 h ALA 167 N 1.53 1.46 0.00 3.77 0.00 -0.05 -2.07 119.26 123.90 1rw5 h ALA 167 Ca 0.32 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 1rw5 h ALA 167 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1rw5 h ALA 167 CO -0.10 0.35 -2.10 0.66 0.00 0.00 0.00 179.25 178.07 1rw5 n TYR 168 N -4.54 0.00 -0.28 0.00 4.01 -0.71 -3.69 117.16 111.94 1rw5 n TYR 168 Ca 0.17 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.86 1rw5 n TYR 168 Cb 0.25 -0.73 0.06 0.00 -0.31 0.00 0.00 39.34 38.62 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 1.08 -0.24 -0.72 3.20 0.76 0.47 116.97 121.53 1rw5 h TYR 169 Ca -0.32 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.39 1rw5 h TYR 169 Cb 1.69 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 1rw5 h TYR 169 CO 0.00 0.77 -0.35 -0.91 -1.64 0.00 0.00 178.16 176.03 1rw5 h ASN 170 N 1.08 0.72 0.17 -2.11 2.35 -1.57 -2.77 115.58 113.45 1rw5 h ASN 170 Ca 0.27 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1rw5 h ASN 170 Cb 0.06 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1rw5 h ASN 170 CO -0.04 1.09 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.68 1rw5 h LEU 171 N 0.37 -0.20 -0.98 1.61 3.38 -1.56 -2.58 115.31 115.36 1rw5 h LEU 171 Ca 0.02 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 57.85 1rw5 h LEU 171 Cb 0.93 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 1rw5 h LEU 171 CO 0.08 0.36 0.59 -0.07 0.09 0.00 0.00 178.44 179.49 1rw5 h LEU 172 N -0.94 0.83 0.10 1.67 3.38 -0.19 0.82 115.31 120.97 1rw5 h LEU 172 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rw5 h LEU 172 Cb 0.47 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.13 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 0.87 -0.12 -0.28 1.13 2.76 -1.58 -2.04 115.15 115.89 1rw5 h HIS 173 Ca 0.51 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.64 1rw5 h HIS 173 Cb 0.62 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 1rw5 h HIS 173 CO -0.02 0.25 -0.01 0.00 -1.30 0.00 0.00 177.93 176.85 1rw5 h LEU 175 N 0.42 0.99 0.50 0.00 6.46 0.79 0.09 115.31 124.55 1rw5 h LEU 175 Ca 0.09 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1rw5 h LEU 175 Cb 0.29 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1rw5 h LEU 175 CO 0.01 0.74 -0.24 -0.09 -0.62 0.00 0.00 178.44 178.24 1rw5 h ARG 176 N 1.16 -0.64 -0.89 1.25 2.43 -0.59 0.40 114.38 117.50 1rw5 h ARG 176 Ca 0.31 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.65 1rw5 h ARG 176 Cb -0.10 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 1rw5 h ARG 176 CO -0.06 -0.43 0.51 0.00 -1.51 0.00 0.00 179.97 178.47 1rw5 h ARG 177 N -0.78 0.76 -0.62 0.20 3.08 -1.47 -0.62 114.38 114.94 1rw5 h ARG 177 Ca -0.07 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 1rw5 h ARG 177 Cb 0.51 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1rw5 h ARG 177 CO 0.11 0.50 0.09 -0.44 -1.07 0.00 0.00 179.97 179.16 1rw5 h ASP 178 N 0.78 0.96 -0.07 7.04 3.32 -0.95 -1.07 116.42 126.43 1rw5 h ASP 178 Ca 0.45 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1rw5 h ASP 178 Cb 0.53 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1rw5 h ASP 178 CO -0.30 0.96 -0.04 0.28 -1.72 0.00 0.00 179.24 178.43 1rw5 h SER 179 N 0.94 0.26 -0.01 6.45 0.02 0.61 -1.67 113.55 120.15 1rw5 h SER 179 Ca 0.19 -0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 60.89 1rw5 h SER 179 Cb 0.42 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1rw5 h SER 179 CO 0.01 0.34 -0.79 -0.74 -1.14 0.00 0.00 176.83 174.51 1rw5 h HIS 180 N 0.27 0.91 -0.14 3.45 -0.00 -0.65 -2.56 115.15 116.43 1rw5 h HIS 180 Ca 0.06 -0.41 0.02 0.00 -0.00 0.00 0.00 60.37 60.04 1rw5 h HIS 180 Cb 0.25 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.50 1rw5 h HIS 180 CO 0.00 1.22 0.01 0.87 -0.00 0.00 0.00 177.93 180.04 1rw5 h LYS 181 N 0.45 0.06 -0.99 5.26 1.57 -0.34 0.86 116.57 123.45 1rw5 h LYS 181 Ca -0.05 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1rw5 h LYS 181 Cb 1.40 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 1rw5 h LYS 181 CO 0.15 0.04 0.65 0.82 -0.57 0.00 0.00 179.45 180.55 1rw5 h ILE 182 N 0.06 1.20 -0.46 1.86 2.04 -1.39 -1.23 117.51 119.60 1rw5 h ILE 182 Ca 0.07 -0.44 -0.12 0.00 1.00 0.00 0.00 64.86 65.37 1rw5 h ILE 182 Cb 0.07 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 35.94 1rw5 h ILE 182 CO -0.10 0.24 -0.18 -0.78 0.00 0.00 0.00 178.15 177.33 1rw5 h ASP 183 N 1.29 0.90 -0.73 1.72 3.58 -0.82 -3.13 116.42 119.23 1rw5 h ASP 183 Ca 0.38 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1rw5 h ASP 183 Cb -0.06 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.71 1rw5 h ASP 183 CO -0.11 1.06 0.48 -1.13 -2.88 0.00 0.00 179.24 176.67 1rw5 h ASN 184 N 0.78 0.85 -0.64 2.28 -1.24 0.19 -2.84 115.58 114.96 1rw5 h ASN 184 Ca 0.11 -0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 1rw5 h ASN 184 Cb 0.71 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 1rw5 h ASN 184 CO 0.05 0.62 0.28 1.88 -1.29 0.00 0.00 177.43 178.97 1rw5 h TYR 185 N 0.99 0.94 -0.77 0.67 0.05 -1.37 -2.52 116.97 114.97 1rw5 h TYR 185 Ca 0.27 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 1rw5 h TYR 185 Cb -0.11 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.31 1rw5 h TYR 185 CO -0.02 0.73 0.48 -0.07 -1.05 0.00 0.00 178.16 178.22 1rw5 h LEU 186 N 0.88 0.91 -0.78 3.88 3.38 -1.51 0.22 115.31 122.30 1rw5 h LEU 186 Ca 0.22 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1rw5 h LEU 186 Cb 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1rw5 h LEU 186 CO -0.02 0.69 0.51 0.11 0.09 0.00 0.00 178.44 179.82 1rw5 h LYS 187 N 1.06 0.97 -0.26 1.13 1.57 -1.23 0.15 116.57 119.96 1rw5 h LYS 187 Ca 0.28 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 1rw5 h LYS 187 Cb -0.06 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 1rw5 h LYS 187 CO -0.05 0.64 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.21 1rw5 h LEU 188 N 1.00 0.62 -1.66 2.94 3.38 -1.02 -3.03 115.31 117.54 1rw5 h LEU 188 Ca 0.30 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1rw5 h LEU 188 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1rw5 h LEU 188 CO -0.10 0.93 0.24 -0.07 0.09 0.00 0.00 178.44 179.53 1rw5 h LEU 189 N 0.31 0.40 -0.50 1.67 3.38 0.17 -2.69 115.31 118.04 1rw5 h LEU 189 Ca 0.05 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1rw5 h LEU 189 Cb 0.73 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1rw5 h LEU 189 CO 0.05 0.29 0.18 0.50 0.09 0.00 0.00 178.44 179.55 1rw5 h LYS 190 N 0.47 0.35 0.00 1.13 3.64 -0.60 1.05 116.57 122.60 1rw5 h LYS 190 Ca 0.14 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1rw5 h LYS 190 Cb -0.02 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1rw5 h LYS 190 CO -0.03 0.23 -0.01 0.00 -2.27 0.00 0.00 179.45 177.37 1rw5 n ARG 192 N -3.51 2.03 0.15 0.00 0.63 -0.26 -1.46 116.66 114.24 1rw5 n ARG 192 Ca -0.03 -0.01 0.02 0.00 -0.92 0.00 0.00 57.85 56.91 1rw5 n ARG 192 Cb 0.10 -1.29 0.16 0.00 0.45 0.00 0.00 32.46 31.88 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1rw5 h ILE 193 N 0.00 1.04 0.00 5.15 2.10 0.11 -3.29 117.51 122.63 1rw5 h ILE 193 Ca -0.29 -2.06 0.00 0.00 1.08 0.00 0.00 64.86 63.59 1rw5 h ILE 193 Cb 1.63 2.23 0.00 0.00 -1.09 0.00 0.00 36.82 39.59 1rw5 h ILE 193 CO 0.02 0.51 -0.09 -0.38 -1.08 0.00 0.00 178.15 177.13 1rw5 n ILE 194 N -3.44 1.45 -3.19 2.19 5.41 -0.87 -4.91 119.36 116.01 1rw5 n ILE 194 Ca 0.00 -1.73 -0.23 0.00 1.00 0.00 0.00 62.75 61.80 1rw5 n ILE 194 Cb 0.65 -0.02 0.04 0.00 -0.71 0.00 0.00 39.64 39.60 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 -1.08 -2.17 -3.57 1.39 8.25 -1.23 -4.98 115.22 111.82 1rw5 n HIS 195 Ca 0.12 0.64 -0.19 0.00 -0.26 0.00 0.00 57.72 58.02 1rw5 n HIS 195 Cb 0.61 -4.51 -0.01 0.00 1.12 0.00 0.00 29.99 27.20 1rw5 n HIS 195 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1rw5 s ASN 196 N -2.85 5.97 -0.60 0.41 0.01 -0.53 -4.97 114.94 112.38 1rw5 s ASN 196 Ca 0.38 -0.17 0.01 0.00 -0.71 0.00 0.00 52.86 52.36 1rw5 s ASN 196 Cb -0.17 -1.31 0.43 0.00 0.41 0.00 0.00 41.25 40.61 1rw5 s ASN 196 CO 0.47 -0.37 1.77 0.59 -1.51 0.00 0.00 177.10 178.05 1rw5 n ASN 197 N -1.58 6.81 -3.18 -1.22 3.02 -1.26 -4.17 115.26 113.68 1rw5 n ASN 197 Ca -0.02 -3.78 -0.38 0.00 -0.03 0.00 0.00 54.58 50.37 1rw5 n ASN 197 Cb 0.58 -0.81 0.02 0.00 -0.61 0.00 0.00 39.78 38.96 1rw5 n ASN 197 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rw5 n ASN 198 N -0.77 6.91 0.00 6.41 5.15 -1.26 -5.01 115.26 126.69 1rw5 n ASN 198 Ca 0.55 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 1rw5 n ASN 198 Cb 0.65 -1.01 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66