#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pk9 s ILE 18 N 0.00 0.03 0.71 -0.61 -4.36 -1.26 -5.15 121.20 110.56 2pk9 s ILE 18 Ca 0.00 -0.25 -0.16 0.00 -0.26 0.00 0.00 60.65 59.98 2pk9 s ILE 18 Cb 0.00 -0.21 -0.02 0.00 1.25 0.00 0.00 42.46 43.48 2pk9 s ILE 18 CO 0.00 -0.14 0.71 -2.65 0.24 0.00 0.00 174.94 173.11 2pk9 n PRO 19 N 2.55 0.40 -3.53 0.37 -0.02 -1.26 -4.77 135.00 128.74 2pk9 n PRO 19 Ca -0.16 0.18 -0.27 0.00 -2.02 0.00 0.00 63.50 61.23 2pk9 n PRO 19 Cb 0.58 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 2pk9 n PRO 19 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2pk9 n LYS 20 N -1.16 0.70 -2.68 -0.52 4.81 -1.26 -1.48 118.16 116.58 2pk9 n LYS 20 Ca 0.11 -3.57 -0.42 0.00 -0.87 0.00 0.00 58.31 53.56 2pk9 n LYS 20 Cb 0.50 -1.84 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 2pk9 n LYS 20 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2pk9 s VAL 21 N -0.45 4.75 -0.24 3.15 0.11 -0.95 -4.91 120.40 121.86 2pk9 s VAL 21 Ca 0.31 2.03 -0.21 0.00 -2.93 0.00 0.00 61.98 61.18 2pk9 s VAL 21 Cb 0.02 -4.30 -0.02 0.00 -1.53 0.00 0.00 36.38 30.55 2pk9 s VAL 21 CO -0.19 -0.01 0.64 -0.63 -3.33 0.00 0.00 175.10 171.59 2pk9 s ILE 22 N 2.09 4.98 0.50 7.04 1.01 -1.26 -2.38 121.20 133.18 2pk9 s ILE 22 Ca 0.48 1.16 -0.09 0.00 0.00 0.00 0.00 60.65 62.20 2pk9 s ILE 22 Cb -0.18 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2pk9 s ILE 22 CO 0.17 0.04 0.87 -0.76 0.00 0.00 0.00 174.94 175.26 2pk9 s LEU 23 N 2.39 3.58 0.79 2.97 1.43 -0.53 -4.96 118.68 124.35 2pk9 s LEU 23 Ca 0.27 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 2pk9 s LEU 23 Cb -0.16 -4.14 0.06 0.00 0.03 0.00 0.00 46.19 41.99 2pk9 s LEU 23 CO 0.09 -0.60 1.11 -2.16 0.23 0.00 0.00 176.35 175.01 2pk9 s PRO 24 N -4.53 2.17 0.20 1.29 0.04 -1.26 -4.48 135.00 128.43 2pk9 s PRO 24 Ca 0.52 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.98 2pk9 s PRO 24 Cb -0.10 -1.94 0.12 0.00 0.04 0.00 0.00 34.50 32.62 2pk9 s PRO 24 CO 0.42 -1.53 1.66 0.00 0.04 0.00 0.00 177.00 177.59 2pk9 h ALA 25 N -1.02 0.87 -2.33 8.56 0.00 -1.96 -3.41 119.26 119.97 2pk9 h ALA 25 Ca -0.47 -0.32 -0.63 0.00 0.00 0.00 0.00 54.91 53.50 2pk9 h ALA 25 Cb 1.28 -0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 2pk9 h ALA 25 CO 0.61 0.66 0.16 0.34 0.00 0.00 0.00 179.25 181.02 2pk9 s ASP 26 N -6.61 6.45 0.60 0.00 3.68 -1.26 -4.95 116.67 114.58 2pk9 s ASP 26 Ca -0.11 0.23 0.36 0.00 2.13 0.00 0.00 52.55 55.16 2pk9 s ASP 26 Cb 0.14 -2.33 1.90 0.00 -1.45 0.00 0.00 42.92 41.18 2pk9 s ASP 26 CO 0.85 -0.57 2.21 2.19 0.13 0.00 0.00 175.17 179.98 2pk9 h PHE 27 N 8.39 0.00 -0.11 -5.34 -0.00 -1.96 -1.42 116.94 116.49 2pk9 h PHE 27 Ca -0.26 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.59 2pk9 h PHE 27 Cb 1.11 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.05 2pk9 h PHE 27 CO 0.76 0.03 -0.46 -0.91 -0.00 0.00 0.00 178.31 177.72 2pk9 h ASN 28 N 0.00 0.30 -0.23 -0.68 2.35 -1.96 -2.96 115.58 112.39 2pk9 h ASN 28 Ca -0.00 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 2pk9 h ASN 28 Cb 0.17 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 2pk9 h ASN 28 CO 0.00 0.72 0.12 0.29 -1.65 0.00 0.00 177.43 176.92 2pk9 n LYS 29 N -3.98 1.56 -4.39 0.81 5.02 -0.54 -4.83 118.16 111.81 2pk9 n LYS 29 Ca -0.02 -0.82 -0.20 0.00 -2.02 0.00 0.00 58.31 55.25 2pk9 n LYS 29 Cb 0.52 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 2pk9 n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pk9 n SER 31 N 3.33 2.56 0.00 0.00 2.88 -1.26 -4.85 113.62 116.29 2pk9 n SER 31 Ca -0.19 1.06 0.03 0.00 -1.33 0.00 0.00 58.87 58.44 2pk9 n SER 31 Cb 0.54 -1.22 0.16 0.00 -0.75 0.00 0.00 64.21 62.94 2pk9 n SER 31 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2pk9 n ARG 32 N 5.07 0.80 0.11 -1.46 1.85 -1.26 -1.00 116.66 120.77 2pk9 n ARG 32 Ca 0.24 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.85 2pk9 n ARG 32 Cb 0.19 -1.10 -0.15 0.00 -1.05 0.00 0.00 32.46 30.34 2pk9 n ARG 32 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2pk9 h THR 33 N 0.00 1.13 -0.46 8.89 2.02 -1.99 -3.14 112.91 119.36 2pk9 h THR 33 Ca 0.00 -2.64 0.03 0.00 0.77 0.00 0.00 66.41 64.57 2pk9 h THR 33 Cb 0.00 2.90 -0.04 0.00 -1.74 0.00 0.00 68.15 69.28 2pk9 h THR 33 CO 0.00 0.84 0.24 0.44 0.37 0.00 0.00 175.52 177.41 2pk9 h ASP 34 N 0.12 0.37 -0.55 4.18 3.32 -1.43 -0.91 116.42 121.52 2pk9 h ASP 34 Ca -0.29 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 2pk9 h ASP 34 Cb 2.13 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 41.59 2pk9 h ASP 34 CO 0.22 0.26 0.30 -0.07 -1.72 0.00 0.00 179.24 178.24 2pk9 h LEU 35 N 0.49 0.69 -1.92 1.55 3.38 -1.65 0.11 115.31 117.96 2pk9 h LEU 35 Ca 0.19 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2pk9 h LEU 35 Cb 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2pk9 h LEU 35 CO -0.12 0.59 -0.11 0.58 0.09 0.00 0.00 178.44 179.48 2pk9 h VAL 36 N 0.74 0.86 0.21 1.22 2.07 -1.42 0.15 116.25 120.08 2pk9 h VAL 36 Ca 0.19 -0.39 -0.31 0.00 0.82 0.00 0.00 66.70 67.01 2pk9 h VAL 36 Cb 0.05 1.23 0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2pk9 h VAL 36 CO -0.03 0.10 -1.40 -0.37 0.02 0.00 0.00 177.57 175.90 2pk9 h VAL 37 N 0.00 1.36 -0.29 2.57 -1.51 -0.68 -3.00 116.25 114.70 2pk9 h VAL 37 Ca -0.00 -2.84 -0.02 0.00 -1.23 0.00 0.00 66.70 62.61 2pk9 h VAL 37 Cb 0.22 3.01 -0.01 0.00 -2.13 0.00 0.00 31.29 32.37 2pk9 h VAL 37 CO 0.01 0.84 0.10 -0.07 -1.23 0.00 0.00 177.57 177.23 2pk9 h LEU 38 N 0.12 0.42 0.11 4.19 3.38 -0.21 -2.01 115.31 121.31 2pk9 h LEU 38 Ca -0.21 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2pk9 h LEU 38 Cb 2.10 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2pk9 h LEU 38 CO 0.25 0.50 -0.05 0.40 0.09 0.00 0.00 178.44 179.63 2pk9 h ILE 39 N 0.32 1.08 -0.82 1.22 2.04 -0.88 -2.21 117.51 118.25 2pk9 h ILE 39 Ca 0.10 -0.84 0.18 0.00 1.00 0.00 0.00 64.86 65.30 2pk9 h ILE 39 Cb 0.22 1.60 -0.11 0.00 -0.74 0.00 0.00 36.82 37.79 2pk9 h ILE 39 CO -0.00 0.20 0.30 0.28 0.00 0.00 0.00 178.15 178.93 2pk9 h SER 40 N -0.55 0.22 0.17 1.72 0.02 -1.55 0.34 113.55 113.91 2pk9 h SER 40 Ca -0.02 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2pk9 h SER 40 Cb 0.44 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 2pk9 h SER 40 CO 0.03 0.01 -0.26 0.03 -1.14 0.00 0.00 176.83 175.49 2pk9 h ARG 41 N 0.37 -0.48 -1.00 3.45 3.08 -1.26 -1.62 114.38 116.92 2pk9 h ARG 41 Ca 0.48 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.63 2pk9 h ARG 41 Cb 0.85 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 2pk9 h ARG 41 CO -0.50 -0.32 0.65 1.98 -1.07 0.00 0.00 179.97 180.71 2pk9 h MET 42 N -0.50 1.14 0.05 0.04 4.05 -0.36 -2.25 114.93 117.10 2pk9 h MET 42 Ca 0.02 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2pk9 h MET 42 Cb 0.50 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2pk9 h MET 42 CO -0.12 0.75 -0.03 -0.07 0.23 0.00 0.00 176.91 177.68 2pk9 h LEU 43 N 1.17 -0.06 -1.21 3.39 4.07 0.10 -1.50 115.31 121.27 2pk9 h LEU 43 Ca 0.44 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.37 2pk9 h LEU 43 Cb 0.18 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 2pk9 h LEU 43 CO -0.18 -0.02 -0.02 -0.37 -1.08 0.00 0.00 178.44 176.78 2pk9 h VAL 44 N -0.09 0.04 -0.18 1.22 -1.51 -1.16 0.16 116.25 114.73 2pk9 h VAL 44 Ca -0.01 -0.63 -0.12 0.00 -1.23 0.00 0.00 66.70 64.71 2pk9 h VAL 44 Cb 0.08 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 2pk9 h VAL 44 CO 0.01 0.02 -0.34 -1.28 -1.23 0.00 0.00 177.57 174.75 2pk9 h SER 45 N 0.00 0.61 -0.36 4.19 0.87 -1.14 -0.46 113.55 117.26 2pk9 h SER 45 Ca -0.00 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 2pk9 h SER 45 Cb 0.61 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2pk9 h SER 45 CO 0.00 1.04 0.18 -0.07 -0.53 0.00 0.00 176.83 177.45 2pk9 h LEU 46 N 0.21 0.47 -0.90 2.23 3.38 -0.97 -2.25 115.31 117.48 2pk9 h LEU 46 Ca 0.01 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.93 2pk9 h LEU 46 Cb 0.93 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 2pk9 h LEU 46 CO 0.08 0.46 0.55 0.40 0.09 0.00 0.00 178.44 180.02 2pk9 h ILE 47 N 0.45 1.00 0.25 1.22 2.04 -0.89 0.21 117.51 121.78 2pk9 h ILE 47 Ca 0.12 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2pk9 h ILE 47 Cb 0.11 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2pk9 h ILE 47 CO -0.02 0.18 -0.12 0.00 0.00 0.00 0.00 178.15 178.19 2pk9 h ALA 48 N 1.44 -0.33 0.45 1.87 0.00 -0.99 -2.95 119.26 118.75 2pk9 h ALA 48 Ca 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2pk9 h ALA 48 Cb 0.26 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pk9 h ALA 48 CO -0.20 -0.57 -0.21 0.82 0.00 0.00 0.00 179.25 179.08 2pk9 h ILE 49 N -0.55 0.54 -0.49 0.00 2.04 -1.05 0.12 117.51 118.12 2pk9 h ILE 49 Ca -0.03 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 65.69 2pk9 h ILE 49 Cb 0.41 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2pk9 h ILE 49 CO 0.06 0.05 0.45 0.78 0.00 0.00 0.00 178.15 179.48 2pk9 h ASN 50 N -0.77 0.00 0.00 1.72 2.35 -0.72 -3.01 115.58 115.15 2pk9 h ASN 50 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2pk9 h ASN 50 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2pk9 h ASN 50 CO 0.10 0.00 -0.50 -0.62 -1.65 0.00 0.00 177.43 174.77 2pk9 n GLU 51 N -3.93 0.40 -0.52 0.81 1.02 -1.11 -4.53 120.64 112.78 2pk9 n GLU 51 Ca 0.09 0.45 -0.18 0.00 -0.02 0.00 0.00 57.16 57.49 2pk9 n GLU 51 Cb 0.65 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.53 2pk9 n GLU 51 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2pk9 n ASN 52 N -4.27 2.77 0.06 1.62 5.15 0.42 -5.11 115.26 115.90 2pk9 n ASN 52 Ca -0.07 -2.26 0.00 0.00 -0.60 0.00 0.00 54.58 51.65 2pk9 n ASN 52 Cb 0.26 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 2pk9 n ASN 52 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2pk9 n SER 53 N 5.13 -1.08 0.00 1.20 2.88 -1.25 -4.88 113.62 115.62 2pk9 n SER 53 Ca 0.30 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 2pk9 n SER 53 Cb 0.13 1.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.92 2pk9 n SER 53 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2pk9 n ILE 62 N -2.71 0.00 -1.85 2.46 -5.35 -1.26 -5.05 119.36 105.60 2pk9 n ILE 62 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2pk9 n ILE 62 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2pk9 n ILE 62 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2pk9 s THR 63 N 0.00 3.32 0.75 7.28 -1.32 -1.26 -4.97 115.64 119.45 2pk9 s THR 63 Ca 0.00 0.38 -0.11 0.00 -1.21 0.00 0.00 61.69 60.75 2pk9 s THR 63 Cb 0.00 -3.29 0.04 0.00 -1.51 0.00 0.00 72.50 67.74 2pk9 s THR 63 CO 0.00 -0.08 1.08 -0.76 -2.21 0.00 0.00 174.62 172.65 2pk9 s LEU 64 N 5.07 2.99 0.48 9.08 1.43 -1.26 -4.96 118.68 131.50 2pk9 s LEU 64 Ca 0.82 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 55.61 2pk9 s LEU 64 Cb -0.35 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.43 2pk9 s LEU 64 CO 0.34 -1.80 0.02 0.42 0.23 0.00 0.00 176.35 175.56 2pk9 s THR 65 N -2.99 1.27 0.25 5.49 -4.23 -1.26 -5.03 115.64 109.13 2pk9 s THR 65 Ca 0.60 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.42 2pk9 s THR 65 Cb -0.15 -2.36 0.34 0.00 1.34 0.00 0.00 72.50 71.66 2pk9 s THR 65 CO 0.55 0.00 2.01 0.03 -0.54 0.00 0.00 174.62 176.68 2pk9 h ARG 66 N 1.50 0.00 -0.08 3.99 2.47 -2.00 -2.85 114.38 117.41 2pk9 h ARG 66 Ca -0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 2pk9 h ARG 66 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2pk9 h ARG 66 CO 0.74 0.08 0.00 0.66 0.56 0.00 0.00 179.97 182.01 2pk9 n TYR 67 N -3.28 0.10 -3.13 3.04 4.02 -1.26 -4.86 117.16 111.79 2pk9 n TYR 67 Ca -0.00 -0.05 -0.39 0.00 -0.01 0.00 0.00 57.90 57.44 2pk9 n TYR 67 Cb 0.29 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.56 2pk9 n TYR 67 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2pk9 s HIS 68 N -1.90 3.63 0.06 -0.72 3.76 -1.08 -3.92 115.29 115.12 2pk9 s HIS 68 Ca 0.31 1.22 -0.01 0.00 -0.15 0.00 0.00 55.06 56.43 2pk9 s HIS 68 Cb 0.16 -2.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 2pk9 s HIS 68 CO 0.25 0.22 0.23 -1.12 -0.85 0.00 0.00 174.74 173.47 2pk9 s SER 69 N 0.28 6.38 0.43 1.40 0.01 -0.32 -4.98 113.70 116.90 2pk9 s SER 69 Ca 0.34 0.31 0.12 0.00 1.31 0.00 0.00 55.95 58.03 2pk9 s SER 69 Cb -0.18 -1.98 0.99 0.00 0.21 0.00 0.00 66.02 65.06 2pk9 s SER 69 CO 0.18 0.17 2.00 0.11 0.41 0.00 0.00 173.24 176.10 2pk9 h LYS 70 N 3.13 0.43 -3.39 12.44 1.57 -1.98 -3.44 116.57 125.33 2pk9 h LYS 70 Ca -0.45 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 2pk9 h LYS 70 Cb 1.16 -0.10 -0.16 0.00 0.08 0.00 0.00 32.23 33.22 2pk9 h LYS 70 CO 0.75 0.28 -0.23 0.96 -0.57 0.00 0.00 179.45 180.64 2pk9 s ILE 71 N -5.41 0.09 0.15 1.86 -4.36 -1.26 -5.13 121.20 107.14 2pk9 s ILE 71 Ca -0.08 -0.73 -0.31 0.00 -0.26 0.00 0.00 60.65 59.27 2pk9 s ILE 71 Cb 0.19 -1.05 -0.11 0.00 1.25 0.00 0.00 42.46 42.75 2pk9 s ILE 71 CO 0.74 -0.40 1.74 -2.84 0.24 0.00 0.00 174.94 174.42 2pk9 s PRO 72 N -2.99 4.15 0.48 0.37 0.02 -1.26 -4.94 135.00 130.83 2pk9 s PRO 72 Ca -0.02 2.53 -0.23 0.00 0.02 0.00 0.00 61.00 63.31 2pk9 s PRO 72 Cb 0.01 -3.37 -0.07 0.00 0.02 0.00 0.00 34.50 31.09 2pk9 s PRO 72 CO -0.06 -0.77 1.21 -2.14 -0.33 0.00 0.00 177.00 174.91 2pk9 s PRO 73 N 2.02 3.60 0.00 5.54 0.02 -1.26 -4.90 135.00 140.02 2pk9 s PRO 73 Ca 0.77 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.67 2pk9 s PRO 73 Cb -0.46 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 31.69 2pk9 s PRO 73 CO 0.34 -0.71 0.55 -1.71 -0.33 0.00 0.00 177.00 175.14 2pk9 n ASN 74 N -0.62 0.79 -4.18 2.53 2.85 -1.26 -4.66 115.26 110.70 2pk9 n ASN 74 Ca 0.08 -1.88 -0.33 0.00 -0.11 0.00 0.00 54.58 52.34 2pk9 n ASN 74 Cb 0.47 -0.39 -0.16 0.00 1.24 0.00 0.00 39.78 40.94 2pk9 n ASN 74 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2pk9 s ILE 75 N -1.16 2.23 0.82 -1.44 2.07 -1.26 -5.12 121.20 117.34 2pk9 s ILE 75 Ca 0.00 -0.91 -0.13 0.00 -1.41 0.00 0.00 60.65 58.20 2pk9 s ILE 75 Cb 0.00 -1.92 0.06 0.00 0.13 0.00 0.00 42.46 40.73 2pk9 s ILE 75 CO 0.00 0.53 1.01 -1.54 -1.91 0.00 0.00 174.94 173.03 2pk9 n SER 76 N 4.29 0.31 -0.14 4.50 3.41 -1.26 -4.81 113.62 119.92 2pk9 n SER 76 Ca -0.20 0.55 -0.07 0.00 -0.26 0.00 0.00 58.87 58.89 2pk9 n SER 76 Cb 0.51 -1.43 0.02 0.00 -0.26 0.00 0.00 64.21 63.05 2pk9 n SER 76 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2pk9 h ILE 77 N -0.96 1.07 0.60 -1.33 6.09 -1.95 -2.56 117.51 118.46 2pk9 h ILE 77 Ca -0.46 -0.19 -0.02 0.00 -1.37 0.00 0.00 64.86 62.83 2pk9 h ILE 77 Cb 1.30 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 39.06 2pk9 h ILE 77 CO 0.44 0.10 -0.42 0.15 -3.07 0.00 0.00 178.15 175.34 2pk9 h PHE 78 N 0.54 -1.13 -0.67 2.19 3.57 -1.90 0.33 116.94 119.87 2pk9 h PHE 78 Ca 0.17 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.86 2pk9 h PHE 78 Cb -0.01 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2pk9 h PHE 78 CO -0.06 -0.62 0.52 -0.91 -2.23 0.00 0.00 178.31 175.01 2pk9 h ASN 79 N -0.98 0.00 0.36 0.41 -0.26 -1.92 0.33 115.58 113.51 2pk9 h ASN 79 Ca -0.07 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.35 2pk9 h ASN 79 Cb 0.82 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 38.10 2pk9 h ASN 79 CO 0.04 0.00 -1.44 0.22 -1.06 0.00 0.00 177.43 175.19 2pk9 h TYR 80 N 0.00 0.84 -0.05 1.19 3.20 -1.02 -3.26 116.97 117.88 2pk9 h TYR 80 Ca 0.32 -0.62 -0.01 0.00 3.14 0.00 0.00 58.73 61.56 2pk9 h TYR 80 Cb 1.36 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.59 2pk9 h TYR 80 CO 0.00 1.49 -0.01 0.35 -1.64 0.00 0.00 178.16 178.35 2pk9 h PHE 81 N 0.13 0.11 -0.79 -3.82 3.57 0.33 -2.62 116.94 113.84 2pk9 h PHE 81 Ca -0.23 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.30 2pk9 h PHE 81 Cb 2.12 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.78 2pk9 h PHE 81 CO 0.11 0.45 0.49 -0.84 -2.23 0.00 0.00 178.31 176.28 2pk9 h ILE 82 N -0.25 1.05 -0.16 1.41 3.07 -1.02 -2.17 117.51 119.44 2pk9 h ILE 82 Ca 0.01 -0.31 0.05 0.00 1.55 0.00 0.00 64.86 66.16 2pk9 h ILE 82 Cb 0.41 0.06 -0.06 0.00 -0.27 0.00 0.00 36.82 36.96 2pk9 h ILE 82 CO 0.01 0.17 -0.26 -0.09 -1.05 0.00 0.00 178.15 176.92 2pk9 h ARG 83 N 0.91 -0.31 -0.81 0.16 2.43 -1.58 0.26 114.38 115.44 2pk9 h ARG 83 Ca 0.34 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.63 2pk9 h ARG 83 Cb 0.13 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 2pk9 h ARG 83 CO -0.16 -0.20 0.46 -0.07 -1.51 0.00 0.00 179.97 178.49 2pk9 h LEU 84 N -0.32 0.65 0.49 3.80 3.38 -1.12 -1.93 115.31 120.27 2pk9 h LEU 84 Ca 0.11 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2pk9 h LEU 84 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2pk9 h LEU 84 CO -0.34 0.37 -0.24 0.74 0.09 0.00 0.00 178.44 179.07 2pk9 h THR 85 N 0.77 0.51 -0.32 0.22 2.02 -0.50 -1.99 112.91 113.63 2pk9 h THR 85 Ca 0.39 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.59 2pk9 h THR 85 Cb 0.37 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2pk9 h THR 85 CO -0.25 0.00 0.18 0.11 0.37 0.00 0.00 175.52 175.93 2pk9 h LYS 86 N -0.66 0.35 -0.43 6.66 1.79 -0.25 -1.32 116.57 122.70 2pk9 h LYS 86 Ca -0.07 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2pk9 h LYS 86 Cb 0.51 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2pk9 h LYS 86 CO 0.11 0.23 0.00 1.19 -1.08 0.00 0.00 179.45 179.90 2pk9 n PHE 87 N -4.93 0.56 -0.71 -1.35 3.01 -0.75 -3.89 117.46 109.40 2pk9 n PHE 87 Ca -0.00 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.16 2pk9 n PHE 87 Cb 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2pk9 n PHE 87 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2pk9 n SER 88 N 1.47 0.45 -3.66 4.37 7.64 -0.75 -4.99 113.62 118.15 2pk9 n SER 88 Ca 0.20 -1.16 -0.23 0.00 1.01 0.00 0.00 58.87 58.69 2pk9 n SER 88 Cb 0.60 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.86 2pk9 n SER 88 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2pk9 n SER 89 N -0.08 -3.68 -4.62 6.43 7.64 -0.53 -4.85 113.62 113.94 2pk9 n SER 89 Ca 0.00 -0.68 -0.43 0.00 1.01 0.00 0.00 58.87 58.77 2pk9 n SER 89 Cb 0.31 -4.56 -0.03 0.00 -1.01 0.00 0.00 64.21 58.93 2pk9 n SER 89 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pk9 s LEU 90 N -6.92 3.74 0.67 -3.43 1.43 -1.04 -4.97 118.68 108.16 2pk9 s LEU 90 Ca 0.32 1.81 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 2pk9 s LEU 90 Cb -0.15 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2pk9 s LEU 90 CO 0.77 -1.56 1.22 -1.61 0.23 0.00 0.00 176.35 175.41 2pk9 s GLU 91 N 5.42 2.49 0.11 1.70 2.02 -1.26 -4.88 118.70 124.31 2pk9 s GLU 91 Ca 0.86 1.84 -0.29 0.00 0.02 0.00 0.00 54.97 57.40 2pk9 s GLU 91 Cb -0.30 -1.87 -0.10 0.00 0.10 0.00 0.00 34.13 31.96 2pk9 s GLU 91 CO 0.34 -1.58 1.48 0.45 0.02 0.00 0.00 175.26 175.97 2pk9 h HIS 92 N 0.25 -1.46 -0.81 1.61 3.86 -1.96 -1.98 115.15 114.66 2pk9 h HIS 92 Ca -0.49 0.06 0.23 0.00 -1.16 0.00 0.00 60.37 59.01 2pk9 h HIS 92 Cb 1.30 0.67 -0.04 0.00 1.06 0.00 0.00 27.41 30.41 2pk9 h HIS 92 CO 0.46 -0.45 0.58 0.00 0.86 0.00 0.00 177.93 179.38 2pk9 h VAL 94 N 0.03 1.27 -0.80 0.00 2.07 -1.74 0.48 116.25 117.57 2pk9 h VAL 94 Ca 0.39 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 2pk9 h VAL 94 Cb 1.51 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 2pk9 h VAL 94 CO -0.02 0.51 0.37 -0.07 0.02 0.00 0.00 177.57 178.38 2pk9 h LEU 95 N 0.75 1.06 0.01 2.57 3.38 -0.22 0.79 115.31 123.66 2pk9 h LEU 95 Ca 0.07 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2pk9 h LEU 95 Cb 0.95 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2pk9 h LEU 95 CO 0.09 0.91 -0.01 0.24 0.09 0.00 0.00 178.44 179.76 2pk9 h MET 96 N 1.13 -0.02 -0.80 1.13 2.86 -1.26 -3.06 114.93 114.92 2pk9 h MET 96 Ca 0.27 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 58.10 2pk9 h MET 96 Cb 0.14 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 31.69 2pk9 h MET 96 CO -0.03 0.44 0.20 1.15 1.06 0.00 0.00 176.91 179.72 2pk9 h THR 97 N -0.48 0.44 -0.38 2.22 2.02 -0.77 -1.85 112.91 114.11 2pk9 h THR 97 Ca -0.00 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.16 2pk9 h THR 97 Cb 0.46 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 2pk9 h THR 97 CO 0.00 0.05 -0.05 0.28 0.37 0.00 0.00 175.52 176.17 2pk9 h SER 98 N 0.25 -0.26 0.38 4.18 0.02 -0.74 0.75 113.55 118.14 2pk9 h SER 98 Ca 0.47 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.51 2pk9 h SER 98 Cb 0.85 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 2pk9 h SER 98 CO -0.57 -0.09 -0.30 0.25 -1.14 0.00 0.00 176.83 174.99 2pk9 h LEU 99 N 0.05 -0.78 -0.88 5.07 5.85 -1.30 -2.61 115.31 120.70 2pk9 h LEU 99 Ca 0.19 0.06 0.23 0.00 0.84 0.00 0.00 57.88 59.19 2pk9 h LEU 99 Cb 0.27 0.25 -0.13 0.00 0.37 0.00 0.00 40.66 41.43 2pk9 h LEU 99 CO -0.35 -0.45 0.33 0.22 -0.34 0.00 0.00 178.44 177.85 2pk9 h TYR 100 N -0.68 0.54 -0.07 1.25 3.20 -0.86 -1.20 116.97 119.14 2pk9 h TYR 100 Ca -0.03 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2pk9 h TYR 100 Cb 0.59 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2pk9 h TYR 100 CO -0.15 -0.11 0.20 1.88 -1.64 0.00 0.00 178.16 178.34 2pk9 h TYR 101 N 0.32 0.00 0.76 -3.82 0.99 -0.46 -1.17 116.97 113.59 2pk9 h TYR 101 Ca 0.55 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.25 2pk9 h TYR 101 Cb 1.08 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.82 2pk9 h TYR 101 CO -0.18 0.00 -0.37 0.82 -0.00 0.00 0.00 178.16 178.43 2pk9 h ILE 102 N 0.00 0.17 -0.73 -2.88 2.04 -1.22 -1.25 117.51 113.63 2pk9 h ILE 102 Ca 0.04 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 65.88 2pk9 h ILE 102 Cb 0.43 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2pk9 h ILE 102 CO -0.00 0.01 0.49 0.44 0.00 0.00 0.00 178.15 179.09 2pk9 h ASP 103 N -1.14 0.45 0.24 1.72 5.19 -1.35 0.34 116.42 121.86 2pk9 h ASP 103 Ca -0.10 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 2pk9 h ASP 103 Cb 0.80 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2pk9 h ASP 103 CO 0.17 0.25 -0.11 0.25 -3.12 0.00 0.00 179.24 176.67 2pk9 h LEU 104 N 0.48 -0.27 -0.89 1.55 5.85 -1.35 -2.64 115.31 118.05 2pk9 h LEU 104 Ca 0.35 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.21 2pk9 h LEU 104 Cb 0.70 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 2pk9 h LEU 104 CO -0.12 -0.15 0.50 0.25 -0.34 0.00 0.00 178.44 178.59 2pk9 h LEU 105 N -0.40 0.68 -1.69 2.25 5.85 -0.89 0.96 115.31 122.07 2pk9 h LEU 105 Ca -0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2pk9 h LEU 105 Cb 0.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.22 2pk9 h LEU 105 CO 0.05 0.33 0.00 1.56 -0.34 0.00 0.00 178.44 180.05 2pk9 h GLN 106 N 0.76 0.00 0.00 1.25 4.20 -0.40 0.10 115.11 121.03 2pk9 h GLN 106 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 2pk9 h GLN 106 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2pk9 h GLN 106 CO -0.31 0.00 -1.72 2.41 -0.67 0.00 0.00 178.83 178.54 2pk9 n THR 107 N -2.65 0.00 -0.07 -0.54 -1.04 0.28 -4.62 114.28 105.65 2pk9 n THR 107 Ca -0.01 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2pk9 n THR 107 Cb 0.14 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 2pk9 n THR 107 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2pk9 n VAL 108 N -2.05 0.00 -3.84 12.58 0.24 -0.90 -4.79 118.33 119.57 2pk9 n VAL 108 Ca -0.02 -0.32 -0.33 0.00 -2.04 0.00 0.00 64.34 61.63 2pk9 n VAL 108 Cb 0.49 1.07 -0.12 0.00 -1.47 0.00 0.00 33.84 33.81 2pk9 n VAL 108 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2pk9 s TYR 109 N -0.53 3.30 0.24 6.34 5.04 0.34 -4.95 117.35 127.13 2pk9 s TYR 109 Ca 0.00 -2.98 -0.14 0.00 -2.44 0.00 0.00 57.07 51.51 2pk9 s TYR 109 Cb 0.00 -3.00 0.29 0.00 0.35 0.00 0.00 41.96 39.60 2pk9 s TYR 109 CO 0.00 -0.78 1.57 -1.35 -1.34 0.00 0.00 175.55 173.66 2pk9 h PRO 110 N 6.68 -0.03 -0.67 4.97 0.11 -1.86 -1.08 132.00 140.11 2pk9 h PRO 110 Ca -0.04 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.23 2pk9 h PRO 110 Cb 0.91 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 2pk9 h PRO 110 CO 0.70 -0.02 0.46 -0.44 -0.21 0.00 0.00 178.00 178.49 2pk9 h ASP 111 N -0.03 0.23 -3.11 -2.05 3.45 -1.93 -3.42 116.42 109.55 2pk9 h ASP 111 Ca 0.36 0.01 -0.57 0.00 0.43 0.00 0.00 57.03 57.26 2pk9 h ASP 111 Cb 0.61 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 39.30 2pk9 h ASP 111 CO -0.88 0.12 0.74 0.12 -1.57 0.00 0.00 179.24 177.77 2pk9 s PHE 112 N -5.24 3.32 -0.01 4.55 5.36 -0.41 -4.94 117.98 120.60 2pk9 s PHE 112 Ca -0.07 1.43 0.06 0.00 -0.96 0.00 0.00 56.93 57.39 2pk9 s PHE 112 Cb 0.20 -3.29 -0.02 0.00 -0.34 0.00 0.00 43.02 39.58 2pk9 s PHE 112 CO 0.75 -0.62 -0.18 0.99 -1.46 0.00 0.00 175.22 174.70 2pk9 s THR 113 N 2.84 1.44 -0.01 0.12 2.01 -1.26 -4.55 115.64 116.22 2pk9 s THR 113 Ca 0.47 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 2pk9 s THR 113 Cb -0.17 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2pk9 s THR 113 CO 0.11 0.36 1.23 -0.22 -0.69 0.00 0.00 174.62 175.42 2pk9 s LEU 114 N -0.54 4.31 0.04 4.42 2.96 -1.26 -4.75 118.68 123.87 2pk9 s LEU 114 Ca 0.07 1.92 -0.27 0.00 -0.22 0.00 0.00 54.13 55.62 2pk9 s LEU 114 Cb -0.07 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.14 2pk9 s LEU 114 CO -0.00 -0.57 0.84 0.54 -1.32 0.00 0.00 176.35 175.84 2pk9 s ASN 115 N 1.42 -0.38 0.00 3.68 2.20 -1.26 -4.46 114.94 116.14 2pk9 s ASN 115 Ca 0.58 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.45 2pk9 s ASN 115 Cb -0.27 0.44 0.00 0.00 -2.00 0.00 0.00 41.25 39.42 2pk9 s ASN 115 CO 0.25 -0.72 0.41 -1.54 -2.94 0.00 0.00 177.10 172.55 2pk9 n SER 116 N -0.29 0.00 -0.00 3.54 3.41 -1.26 0.91 113.62 119.92 2pk9 n SER 116 Ca -0.10 0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.65 2pk9 n SER 116 Cb 0.62 -0.05 -0.12 0.00 -0.26 0.00 0.00 64.21 64.41 2pk9 n SER 116 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2pk9 n LEU 117 N -0.91 0.59 -0.01 1.04 4.32 -1.26 -4.50 117.00 116.27 2pk9 n LEU 117 Ca 0.00 -0.34 0.01 0.00 -0.02 0.00 0.00 56.01 55.66 2pk9 n LEU 117 Cb 0.02 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.77 2pk9 n LEU 117 CO 0.00 0.15 -0.63 0.35 -1.22 0.00 0.00 177.39 176.04 2pk9 n THR 118 N -1.66 0.17 0.00 -5.08 -2.24 0.26 -1.17 114.28 104.56 2pk9 n THR 118 Ca 0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2pk9 n THR 118 Cb 0.35 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2pk9 n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pk9 n ALA 119 N -1.93 -0.08 -0.01 6.98 0.00 -0.92 -1.30 120.51 123.26 2pk9 n ALA 119 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 2pk9 n ALA 119 Cb 0.38 0.32 -0.00 0.00 0.00 0.00 0.00 19.45 20.15 2pk9 n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pk9 h HIS 120 N 0.00 -0.07 -0.99 0.00 3.86 -1.89 0.43 115.15 116.49 2pk9 h HIS 120 Ca 0.00 0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.42 2pk9 h HIS 120 Cb 0.00 0.03 -0.10 0.00 1.06 0.00 0.00 27.41 28.40 2pk9 h HIS 120 CO -0.46 -0.02 0.62 0.00 0.86 0.00 0.00 177.93 178.93 2pk9 h ARG 121 N -0.01 0.66 -0.24 2.45 3.08 -1.78 0.21 114.38 118.74 2pk9 h ARG 121 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2pk9 h ARG 121 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2pk9 h ARG 121 CO -0.03 0.43 0.08 0.35 -1.07 0.00 0.00 179.97 179.74 2pk9 h PHE 122 N 0.67 0.38 0.82 3.04 3.57 -0.40 -1.99 116.94 123.04 2pk9 h PHE 122 Ca 0.57 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 62.00 2pk9 h PHE 122 Cb 1.01 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2pk9 h PHE 122 CO -0.00 0.42 -0.44 1.25 -2.23 0.00 0.00 178.31 177.31 2pk9 h LEU 123 N 0.22 -1.06 -0.78 0.59 5.85 0.28 0.40 115.31 120.82 2pk9 h LEU 123 Ca 0.08 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.97 2pk9 h LEU 123 Cb 0.22 0.29 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 2pk9 h LEU 123 CO -0.00 -0.71 -0.38 0.25 -0.34 0.00 0.00 178.44 177.25 2pk9 h LEU 124 N -1.16 -1.37 0.16 2.25 5.85 -0.95 -1.08 115.31 119.01 2pk9 h LEU 124 Ca -0.11 0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2pk9 h LEU 124 Cb 0.91 0.68 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 2pk9 h LEU 124 CO 0.16 -0.30 -0.27 0.74 -0.34 0.00 0.00 178.44 178.43 2pk9 h THR 125 N -0.10 0.41 0.14 1.05 2.02 -0.92 -2.84 112.91 112.66 2pk9 h THR 125 Ca 0.27 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.44 2pk9 h THR 125 Cb 0.57 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2pk9 h THR 125 CO -0.82 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 174.98 2pk9 h ALA 126 N 0.19 -0.96 0.00 6.16 0.00 0.10 -1.78 119.26 122.97 2pk9 h ALA 126 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pk9 h ALA 126 Cb 0.52 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pk9 h ALA 126 CO -0.13 -0.96 0.00 2.41 0.00 0.00 0.00 179.25 180.57 2pk9 n THR 127 N -2.69 0.00 1.14 0.00 -1.04 -0.76 0.21 114.28 111.13 2pk9 n THR 127 Ca -0.03 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.11 2pk9 n THR 127 Cb 0.09 0.00 0.40 0.00 -1.82 0.00 0.00 70.33 69.00 2pk9 n THR 127 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2pk9 n THR 128 N -3.95 0.00 -0.01 12.58 -2.24 -0.87 -2.51 114.28 117.29 2pk9 n THR 128 Ca 0.00 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.58 2pk9 n THR 128 Cb 0.00 0.11 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 2pk9 n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2pk9 n VAL 129 N -1.19 1.69 -0.16 2.28 0.31 0.13 -3.20 118.33 118.18 2pk9 n VAL 129 Ca 0.09 -0.72 -0.07 0.00 -0.01 0.00 0.00 64.34 63.63 2pk9 n VAL 129 Cb 0.33 -1.39 0.01 0.00 -0.91 0.00 0.00 33.84 31.88 2pk9 n VAL 129 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pk9 h ALA 130 N 0.48 0.62 0.55 3.52 0.00 -0.75 0.93 119.26 124.62 2pk9 h ALA 130 Ca -0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2pk9 h ALA 130 Cb 2.03 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 19.63 2pk9 h ALA 130 CO 0.08 0.10 -0.27 1.15 0.00 0.00 0.00 179.25 180.31 2pk9 h THR 131 N 0.65 0.24 0.00 0.00 2.02 -1.65 -1.76 112.91 112.41 2pk9 h THR 131 Ca 0.17 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 2pk9 h THR 131 Cb -0.02 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2pk9 h THR 131 CO -0.03 0.04 -0.00 0.11 0.37 0.00 0.00 175.52 176.00 2pk9 h LYS 132 N -1.07 0.00 0.07 6.66 1.57 -1.55 -1.72 116.57 120.52 2pk9 h LYS 132 Ca -0.08 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.38 2pk9 h LYS 132 Cb 0.63 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2pk9 h LYS 132 CO 0.13 0.00 -1.83 0.78 -0.57 0.00 0.00 179.45 177.96 2pk9 h GLY 133 N 0.01 0.16 0.00 3.86 0.00 -0.69 -3.42 103.07 102.99 2pk9 h GLY 133 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2pk9 h GLY 133 CO 0.00 0.36 -0.53 1.04 0.00 0.00 0.00 176.54 177.41 2pk9 n LEU 134 N -3.28 0.00 -4.80 3.11 4.77 -0.67 -5.05 117.00 111.07 2pk9 n LEU 134 Ca -0.24 -0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.29 2pk9 n LEU 134 Cb 1.05 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.09 2pk9 n LEU 134 CO 0.44 0.00 -0.18 0.00 -1.33 0.00 0.00 177.39 176.32 2pk9 h ASP 136 N 1.52 0.23 -3.51 0.00 3.32 -1.97 -3.45 116.42 112.56 2pk9 h ASP 136 Ca -0.48 -0.40 -0.63 0.00 0.02 0.00 0.00 57.03 55.54 2pk9 h ASP 136 Cb 1.24 -0.08 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 2pk9 h ASP 136 CO 0.61 1.35 -0.59 -0.55 -1.72 0.00 0.00 179.24 178.33 2pk9 s SER 137 N -6.67 5.40 0.09 6.45 0.15 -1.26 -5.09 113.70 112.77 2pk9 s SER 137 Ca -0.09 -0.07 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 2pk9 s SER 137 Cb 0.07 -1.95 0.04 0.00 -1.71 0.00 0.00 66.02 62.47 2pk9 s SER 137 CO 0.82 0.06 0.44 0.72 1.20 0.00 0.00 173.24 176.48 2pk9 s PHE 138 N 1.06 -0.29 0.10 3.44 -0.12 -1.26 -4.91 117.98 116.00 2pk9 s PHE 138 Ca 0.04 0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.06 2pk9 s PHE 138 Cb -0.14 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.55 2pk9 s PHE 138 CO 0.03 -0.66 0.14 0.43 -0.05 0.00 0.00 175.22 175.11 2pk9 n SER 139 N 0.10 0.25 -4.92 1.98 7.64 -1.26 -5.10 113.62 112.31 2pk9 n SER 139 Ca -0.17 -1.19 -0.28 0.00 1.01 0.00 0.00 58.87 58.24 2pk9 n SER 139 Cb 0.62 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 2pk9 n SER 139 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2pk9 s THR 140 N 0.05 5.11 0.29 0.44 -4.23 -1.26 -4.99 115.64 111.06 2pk9 s THR 140 Ca 0.09 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 2pk9 s THR 140 Cb -0.01 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.38 2pk9 s THR 140 CO 0.06 -0.26 1.88 0.78 -0.54 0.00 0.00 174.62 176.54 2pk9 h ASN 141 N 1.79 0.92 -0.42 3.99 -0.26 -1.98 -1.49 115.58 118.12 2pk9 h ASN 141 Ca -0.48 0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.29 2pk9 h ASN 141 Cb 1.19 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 38.26 2pk9 h ASN 141 CO 0.67 0.55 0.28 0.00 -1.06 0.00 0.00 177.43 177.86 2pk9 h ALA 142 N 1.52 1.71 -0.27 -0.83 0.00 -1.94 0.66 119.26 120.10 2pk9 h ALA 142 Ca 0.43 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 2pk9 h ALA 142 Cb 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2pk9 h ALA 142 CO -0.19 0.27 -0.24 1.25 0.00 0.00 0.00 179.25 180.33 2pk9 h HIS 143 N 0.56 0.76 -0.21 0.00 -0.00 -1.73 -3.10 115.15 111.44 2pk9 h HIS 143 Ca 0.15 -0.22 -0.15 0.00 -0.00 0.00 0.00 60.37 60.15 2pk9 h HIS 143 Cb -0.06 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 2pk9 h HIS 143 CO -0.00 0.94 -0.49 1.88 -0.00 0.00 0.00 177.93 180.26 2pk9 h TYR 144 N 0.37 0.68 -0.67 5.26 0.05 -0.20 -2.93 116.97 119.54 2pk9 h TYR 144 Ca 0.05 -0.22 -0.08 0.00 0.05 0.00 0.00 58.73 58.52 2pk9 h TYR 144 Cb 0.80 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.38 2pk9 h TYR 144 CO 0.07 0.94 0.10 0.00 -1.05 0.00 0.00 178.16 178.22 2pk9 h ALA 145 N 1.02 0.89 0.35 3.88 0.00 0.17 -1.24 119.26 124.33 2pk9 h ALA 145 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2pk9 h ALA 145 Cb 1.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2pk9 h ALA 145 CO 0.09 0.67 -0.17 -0.22 0.00 0.00 0.00 179.25 179.63 2pk9 h LYS 146 N 1.04 -0.46 -0.80 0.00 3.64 -1.45 0.45 116.57 119.00 2pk9 h LYS 146 Ca 0.20 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2pk9 h LYS 146 Cb 0.46 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 2pk9 h LYS 146 CO 0.02 -0.29 0.39 0.28 -2.27 0.00 0.00 179.45 177.57 2pk9 h VAL 147 N -0.49 1.25 0.00 2.00 2.07 -1.51 -2.81 116.25 116.75 2pk9 h VAL 147 Ca -0.05 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2pk9 h VAL 147 Cb 0.38 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2pk9 h VAL 147 CO 0.08 0.29 0.00 1.23 0.02 0.00 0.00 177.57 179.19 2pk9 h GLY 148 N 1.12 0.00 0.00 2.17 0.00 -1.04 -3.47 103.07 101.85 2pk9 h GLY 148 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2pk9 h GLY 148 CO -0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.11 2pk9 n GLY 149 N 0.34 0.41 3.98 4.60 0.00 0.01 -5.05 105.19 109.48 2pk9 n GLY 149 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 2pk9 n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pk9 s VAL 150 N -2.13 4.64 0.64 1.61 -7.23 -0.39 -4.99 120.40 112.55 2pk9 s VAL 150 Ca 0.00 -1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.00 2pk9 s VAL 150 Cb 0.00 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 2pk9 s VAL 150 CO 0.00 -0.24 1.17 -0.13 -0.31 0.00 0.00 175.10 175.58 2pk9 s ARG 151 N -4.07 2.76 0.12 4.82 0.52 -1.26 -4.04 118.95 117.79 2pk9 s ARG 151 Ca 0.40 1.65 -0.22 0.00 -0.52 0.00 0.00 55.73 57.04 2pk9 s ARG 151 Cb -0.09 -1.92 -0.07 0.00 0.52 0.00 0.00 34.95 33.39 2pk9 s ARG 151 CO 0.30 -1.33 1.71 0.00 0.02 0.00 0.00 175.30 175.99 2pk9 h HIS 153 N -0.06 0.34 -0.57 0.00 6.17 -1.97 -0.32 115.15 118.74 2pk9 h HIS 153 Ca 0.06 0.03 0.11 0.00 0.71 0.00 0.00 60.37 61.28 2pk9 h HIS 153 Cb 0.15 -0.06 -0.11 0.00 2.52 0.00 0.00 27.41 29.91 2pk9 h HIS 153 CO -0.18 0.04 -0.25 0.93 0.71 0.00 0.00 177.93 179.19 2pk9 h GLU 154 N 0.36 -0.10 -0.38 5.26 5.08 -1.82 -1.52 114.58 121.47 2pk9 h GLU 154 Ca 0.33 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 2pk9 h GLU 154 Cb 0.45 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2pk9 h GLU 154 CO -0.36 -0.07 -0.16 1.25 -1.00 0.00 0.00 179.01 178.68 2pk9 h LEU 155 N -0.10 0.69 -0.02 1.33 5.85 -0.80 -2.07 115.31 120.19 2pk9 h LEU 155 Ca 0.26 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2pk9 h LEU 155 Cb 0.51 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2pk9 h LEU 155 CO -0.64 0.86 -0.07 0.78 -0.34 0.00 0.00 178.44 179.03 2pk9 h ASN 156 N 0.62 -0.21 0.84 1.25 -0.26 -0.14 0.18 115.58 117.86 2pk9 h ASN 156 Ca 0.10 0.04 -0.11 0.00 -0.56 0.00 0.00 56.30 55.77 2pk9 h ASN 156 Cb 0.62 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 2pk9 h ASN 156 CO 0.04 -0.10 -0.53 0.16 -1.06 0.00 0.00 177.43 175.94 2pk9 h ILE 157 N -0.12 1.15 0.00 2.81 3.07 -1.39 -1.10 117.51 121.93 2pk9 h ILE 157 Ca 0.04 -1.96 -0.10 0.00 1.55 0.00 0.00 64.86 64.38 2pk9 h ILE 157 Cb 0.16 2.13 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 2pk9 h ILE 157 CO -0.09 0.52 -0.49 0.25 -1.05 0.00 0.00 178.15 177.28 2pk9 h LEU 158 N 0.00 0.00 0.22 0.16 5.85 -1.10 -0.87 115.31 119.57 2pk9 h LEU 158 Ca -0.01 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 2pk9 h LEU 158 Cb 1.09 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.15 2pk9 h LEU 158 CO 0.07 0.49 -1.31 -0.08 -0.34 0.00 0.00 178.44 177.28 2pk9 h GLU 159 N 0.00 0.49 -0.55 1.25 4.81 -0.39 -3.21 114.58 116.99 2pk9 h GLU 159 Ca -0.00 -0.83 -0.09 0.00 -0.13 0.00 0.00 59.36 58.30 2pk9 h GLU 159 Cb 0.89 0.31 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2pk9 h GLU 159 CO 0.06 1.39 -0.03 -0.97 -0.73 0.00 0.00 179.01 178.74 2pk9 h ASN 160 N 0.03 0.97 0.10 1.04 -1.24 -1.17 -2.58 115.58 112.73 2pk9 h ASN 160 Ca -0.23 -0.32 -0.00 0.00 0.71 0.00 0.00 56.30 56.47 2pk9 h ASN 160 Cb 2.03 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.81 2pk9 h ASN 160 CO 0.25 1.05 -0.18 -0.78 -1.29 0.00 0.00 177.43 176.48 2pk9 h ASP 161 N 0.86 -0.52 -0.84 1.15 3.58 -1.26 -1.95 116.42 117.44 2pk9 h ASP 161 Ca 0.15 0.05 0.17 0.00 0.42 0.00 0.00 57.03 57.82 2pk9 h ASP 161 Cb 0.57 0.18 -0.16 0.00 1.72 0.00 0.00 39.33 41.64 2pk9 h ASP 161 CO 0.03 -0.21 -0.19 0.15 -2.88 0.00 0.00 179.24 176.15 2pk9 h PHE 162 N -0.30 -0.41 -0.17 0.28 3.04 -1.59 -0.42 116.94 117.37 2pk9 h PHE 162 Ca -0.01 0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 2pk9 h PHE 162 Cb 0.28 0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 2pk9 h PHE 162 CO -0.25 -0.36 -0.07 -0.07 -2.02 0.00 0.00 178.31 175.55 2pk9 h LEU 163 N 0.01 0.24 -0.18 0.59 3.38 -1.29 -1.87 115.31 116.19 2pk9 h LEU 163 Ca 0.41 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 58.14 2pk9 h LEU 163 Cb 0.65 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2pk9 h LEU 163 CO -0.86 0.35 -0.67 0.11 0.09 0.00 0.00 178.44 177.46 2pk9 h LYS 164 N 0.25 0.78 0.00 1.13 1.57 -0.31 -0.93 116.57 119.06 2pk9 h LYS 164 Ca 0.06 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2pk9 h LYS 164 Cb 0.28 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2pk9 h LYS 164 CO 0.01 1.21 0.00 0.00 -0.57 0.00 0.00 179.45 180.10 2pk9 h ARG 165 N 0.51 0.00 -0.00 3.15 3.08 -0.76 -2.89 114.38 117.47 2pk9 h ARG 165 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2pk9 h ARG 165 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2pk9 h ARG 165 CO 0.14 0.00 -0.32 0.28 -1.07 0.00 0.00 179.97 179.00 2pk9 n VAL 166 N -2.57 0.00 -3.37 2.04 0.31 -0.75 -4.68 118.33 109.30 2pk9 n VAL 166 Ca 0.03 -0.34 -0.24 0.00 -0.01 0.00 0.00 64.34 63.78 2pk9 n VAL 166 Cb 0.37 1.01 0.04 0.00 -0.91 0.00 0.00 33.84 34.36 2pk9 n VAL 166 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2pk9 n ASN 167 N -1.07 -5.77 0.00 4.52 4.05 -0.78 -1.97 115.26 114.24 2pk9 n ASN 167 Ca 0.02 -0.45 0.00 0.00 0.45 0.00 0.00 54.58 54.60 2pk9 n ASN 167 Cb 0.12 -4.62 0.00 0.00 1.23 0.00 0.00 39.78 36.51 2pk9 n ASN 167 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2pk9 n TYR 168 N -4.64 0.00 -2.13 1.20 4.02 -0.42 -4.89 117.16 110.30 2pk9 n TYR 168 Ca -0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.44 2pk9 n TYR 168 Cb 0.58 -1.52 -0.01 0.00 -0.02 0.00 0.00 39.34 38.37 2pk9 n TYR 168 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2pk9 n ARG 169 N -0.66 2.78 -0.00 -0.72 1.74 -0.83 -4.63 116.66 114.34 2pk9 n ARG 169 Ca 0.00 -2.86 0.08 0.00 -0.77 0.00 0.00 57.85 54.30 2pk9 n ARG 169 Cb 0.24 -3.41 -0.10 0.00 -1.02 0.00 0.00 32.46 28.17 2pk9 n ARG 169 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2pk9 n ILE 170 N 6.09 0.00 -2.54 0.55 -5.35 -1.26 -4.93 119.36 111.92 2pk9 n ILE 170 Ca 0.50 -0.19 -0.43 0.00 -0.27 0.00 0.00 62.75 62.36 2pk9 n ILE 170 Cb 0.43 0.76 -0.02 0.00 -1.74 0.00 0.00 39.64 39.08 2pk9 n ILE 170 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2pk9 s ILE 171 N -2.69 4.36 -0.38 7.28 1.01 -1.26 -4.95 121.20 124.56 2pk9 s ILE 171 Ca 0.03 1.57 -0.28 0.00 0.00 0.00 0.00 60.65 61.96 2pk9 s ILE 171 Cb 0.12 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.31 2pk9 s ILE 171 CO 0.67 -0.43 1.60 -2.16 0.00 0.00 0.00 174.94 174.62 2pk9 s PRO 172 N 3.81 3.43 0.04 2.79 0.04 -1.26 -4.82 135.00 139.03 2pk9 s PRO 172 Ca 0.50 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 2pk9 s PRO 172 Cb -0.15 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.25 2pk9 s PRO 172 CO 0.18 -1.74 0.02 0.50 0.04 0.00 0.00 177.00 176.00 2pk9 s ARG 173 N 5.34 0.54 0.20 4.56 3.52 -1.26 -4.71 118.95 127.14 2pk9 s ARG 173 Ca 0.70 -0.90 -0.19 0.00 -0.13 0.00 0.00 55.73 55.20 2pk9 s ARG 173 Cb -0.18 0.20 0.17 0.00 -1.56 0.00 0.00 34.95 33.59 2pk9 s ARG 173 CO 0.33 -0.12 1.57 -0.44 -0.81 0.00 0.00 175.30 175.84 2pk9 h ASP 174 N 3.67 -1.23 -0.43 -2.12 3.32 -0.85 -0.31 116.42 118.46 2pk9 h ASP 174 Ca -0.33 0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2pk9 h ASP 174 Cb 1.17 0.63 0.00 0.00 0.22 0.00 0.00 39.33 41.36 2pk9 h ASP 174 CO 0.54 -0.30 0.00 1.41 -1.72 0.00 0.00 179.24 179.18 2pk9 n HIS 175 N -5.45 0.57 0.29 4.55 8.25 -1.26 -4.62 115.22 117.55 2pk9 n HIS 175 Ca 0.07 -0.28 -0.18 0.00 -0.26 0.00 0.00 57.72 57.06 2pk9 n HIS 175 Cb 0.37 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 2pk9 n HIS 175 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 2pk9 h ASN 176 N 3.32 -1.41 -0.67 0.41 -1.24 -1.36 -1.76 115.58 112.87 2pk9 h ASN 176 Ca 0.00 0.11 0.13 0.00 0.71 0.00 0.00 56.30 57.25 2pk9 h ASN 176 Cb 0.75 0.47 -0.13 0.00 0.73 0.00 0.00 38.32 40.13 2pk9 h ASN 176 CO 0.00 -0.67 -0.22 0.40 -1.29 0.00 0.00 177.43 175.65 2pk9 h ILE 177 N -1.01 0.26 -0.14 2.57 2.04 -1.82 0.84 117.51 120.26 2pk9 h ILE 177 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2pk9 h ILE 177 Cb 0.88 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2pk9 h ILE 177 CO -0.07 0.00 -0.07 0.74 0.00 0.00 0.00 178.15 178.75 2pk9 h THR 178 N -0.05 0.78 -0.45 -0.27 2.02 -1.85 0.46 112.91 113.57 2pk9 h THR 178 Ca 0.31 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.46 2pk9 h THR 178 Cb 0.53 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2pk9 h THR 178 CO -0.71 0.00 0.14 -0.07 0.37 0.00 0.00 175.52 175.25 2pk9 h LEU 179 N -0.05 0.60 -0.04 2.58 3.38 -0.63 0.55 115.31 121.70 2pk9 h LEU 179 Ca 0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2pk9 h LEU 179 Cb 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2pk9 h LEU 179 CO -0.17 0.57 0.01 0.00 0.09 0.00 0.00 178.44 178.94 2pk9 h SER 181 N -0.18 0.50 -0.53 0.00 0.02 -0.39 -2.60 113.55 110.36 2pk9 h SER 181 Ca 0.01 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2pk9 h SER 181 Cb 0.27 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2pk9 h SER 181 CO 0.00 0.27 -0.05 0.40 -1.14 0.00 0.00 176.83 176.31 2pk9 h ILE 182 N 0.63 1.27 0.00 3.27 2.04 -0.86 -2.98 117.51 120.89 2pk9 h ILE 182 Ca 0.38 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2pk9 h ILE 182 Cb 0.42 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2pk9 h ILE 182 CO -0.29 0.42 0.00 -0.62 0.00 0.00 0.00 178.15 177.66 2pk9 n GLU 183 N -4.22 0.59 -0.67 2.37 1.02 -0.29 -4.82 120.64 114.61 2pk9 n GLU 183 Ca 0.01 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 2pk9 n GLU 183 Cb 0.36 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.51 2pk9 n GLU 183 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2pk9 s GLN 184 N -2.13 -0.44 -0.17 3.49 2.00 -1.02 -4.96 119.66 116.42 2pk9 s GLN 184 Ca 0.29 0.89 -0.29 0.00 -2.00 0.00 0.00 55.36 54.25 2pk9 s GLN 184 Cb 0.15 -1.61 -0.01 0.00 0.80 0.00 0.00 33.01 32.34 2pk9 s GLN 184 CO 0.26 -3.42 1.13 0.15 -0.50 0.00 0.00 175.29 172.92 2pk9 s LYS 185 N -4.57 4.28 -0.18 1.67 1.02 -1.26 -5.01 119.74 115.69 2pk9 s LYS 185 Ca 0.68 1.50 -0.08 0.00 0.02 0.00 0.00 55.97 58.09 2pk9 s LYS 185 Cb -0.24 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 2pk9 s LYS 185 CO 0.63 -0.60 0.07 -0.65 -0.92 0.00 0.00 175.35 173.88 2pk9 s GLN 186 N 3.04 3.97 0.27 1.68 -1.52 -1.26 -5.07 119.66 120.77 2pk9 s GLN 186 Ca 0.49 -0.33 -0.30 0.00 -1.95 0.00 0.00 55.36 53.28 2pk9 s GLN 186 Cb -0.19 -3.22 -0.10 0.00 -0.22 0.00 0.00 33.01 29.28 2pk9 s GLN 186 CO 0.12 0.29 1.43 0.15 -0.25 0.00 0.00 175.29 177.03 2pk9 s LYS 187 N 0.32 4.27 -0.18 2.91 1.02 -1.26 -5.00 119.74 121.81 2pk9 s LYS 187 Ca 0.04 2.31 -0.27 0.00 0.02 0.00 0.00 55.97 58.07 2pk9 s LYS 187 Cb -0.12 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2pk9 s LYS 187 CO -0.00 -0.40 0.93 0.21 -0.92 0.00 0.00 175.35 175.17 2pk9 s LYS 188 N -0.69 4.30 0.31 1.68 2.47 -1.26 -5.05 119.74 121.49 2pk9 s LYS 188 Ca 0.57 1.19 0.06 0.00 -1.56 0.00 0.00 55.97 56.24 2pk9 s LYS 188 Cb -0.42 -3.60 -0.02 0.00 -1.46 0.00 0.00 37.83 32.33 2pk9 s LYS 188 CO 0.46 -0.44 0.38 -0.06 0.16 0.00 0.00 175.35 175.85 2pk9 s PHE 189 N 2.52 3.14 0.03 4.03 0.40 -1.26 -5.04 117.98 121.80 2pk9 s PHE 189 Ca 0.42 -0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.36 2pk9 s PHE 189 Cb -0.16 -1.80 -0.15 0.00 0.51 0.00 0.00 43.02 41.41 2pk9 s PHE 189 CO 0.11 0.18 1.31 0.28 0.70 0.00 0.00 175.22 177.80 2pk9 h VAL 190 N 1.09 1.36 -3.69 -0.44 2.07 -2.07 -3.41 116.25 111.17 2pk9 h VAL 190 Ca -0.47 -1.38 -0.65 0.00 0.82 0.00 0.00 66.70 65.02 2pk9 h VAL 190 Cb 1.25 1.97 -0.22 0.00 -1.52 0.00 0.00 31.29 32.77 2pk9 h VAL 190 CO 0.57 0.40 -0.60 -0.63 0.02 0.00 0.00 177.57 177.33 2pk9 s ILE 191 N -4.18 4.51 0.20 4.57 -1.09 -1.26 -5.07 121.20 118.88 2pk9 s ILE 191 Ca -0.14 -0.15 -0.31 0.00 -2.23 0.00 0.00 60.65 57.82 2pk9 s ILE 191 Cb 0.05 -3.14 -0.10 0.00 -1.58 0.00 0.00 42.46 37.69 2pk9 s ILE 191 CO 0.75 0.29 1.49 -1.81 -1.23 0.00 0.00 174.94 174.44 2pk9 s ASP 192 N 1.64 6.63 -0.33 3.58 -0.00 -1.26 -4.95 116.67 121.98 2pk9 s ASP 192 Ca 0.06 2.62 -0.27 0.00 -0.00 0.00 0.00 52.55 54.96 2pk9 s ASP 192 Cb -0.15 -2.61 0.01 0.00 -0.00 0.00 0.00 42.92 40.17 2pk9 s ASP 192 CO 0.05 -0.76 0.97 -0.54 -0.00 0.00 0.00 175.17 174.89 2pk9 s LYS 193 N 0.43 3.97 0.04 8.23 1.02 -1.26 -5.14 119.74 127.03 2pk9 s LYS 193 Ca 0.65 0.81 -0.09 0.00 0.02 0.00 0.00 55.97 57.37 2pk9 s LYS 193 Cb -0.42 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.13 2pk9 s LYS 193 CO 0.37 -0.87 0.17 -0.80 -0.92 0.00 0.00 175.35 173.30 2pk9 s ASN 194 N 1.72 0.06 0.01 2.83 0.02 -1.26 -5.22 114.94 113.11 2pk9 s ASN 194 Ca 0.40 -0.40 0.00 0.00 -1.02 0.00 0.00 52.86 51.84 2pk9 s ASN 194 Cb -0.12 0.27 0.00 0.00 0.02 0.00 0.00 41.25 41.42 2pk9 s ASN 194 CO 0.16 -0.54 0.00 -0.24 0.02 0.00 0.00 177.10 176.49 2pk9 n SER 205 N 0.71 -3.77 -1.45 -1.22 2.88 -1.26 -5.37 113.62 104.14 2pk9 n SER 205 Ca -0.19 0.42 0.08 0.00 -1.33 0.00 0.00 58.87 57.85 2pk9 n SER 205 Cb 0.59 -2.00 0.34 0.00 -0.75 0.00 0.00 64.21 62.40 2pk9 n SER 205 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2pk9 n TYR 206 N 0.44 1.59 -1.93 0.66 4.01 -1.26 -5.02 117.16 115.64 2pk9 n TYR 206 Ca 0.00 -0.80 -0.38 0.00 -0.16 0.00 0.00 57.90 56.56 2pk9 n TYR 206 Cb 0.00 -0.43 0.02 0.00 -0.31 0.00 0.00 39.34 38.62 2pk9 n TYR 206 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2pk9 s VAL 207 N -2.81 2.39 0.00 -0.72 1.01 -1.26 -3.11 120.40 115.91 2pk9 s VAL 207 Ca 0.49 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2pk9 s VAL 207 Cb 0.39 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2pk9 s VAL 207 CO 0.13 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.82 2pk9 n ASN 208 N -0.69 0.00 -4.71 3.32 3.02 -1.26 -4.93 115.26 110.00 2pk9 n ASN 208 Ca 0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 2pk9 n ASN 208 Cb 0.45 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 2pk9 n ASN 208 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2pk9 s ARG 209 N 0.00 4.19 0.38 3.52 6.06 -1.18 -4.95 118.95 126.97 2pk9 s ARG 209 Ca 0.00 2.41 -0.27 0.00 -2.50 0.00 0.00 55.73 55.37 2pk9 s ARG 209 Cb 0.00 -3.24 -0.11 0.00 0.06 0.00 0.00 34.95 31.66 2pk9 s ARG 209 CO 0.00 -0.66 1.24 -0.35 -2.50 0.00 0.00 175.30 173.02 2pk9 n PRO 210 N 4.34 1.92 -2.46 5.12 -0.04 -1.26 -2.16 135.00 140.46 2pk9 n PRO 210 Ca 0.15 0.68 -0.09 0.00 -0.04 0.00 0.00 63.50 64.20 2pk9 n PRO 210 Cb 0.38 -2.29 -0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2pk9 n PRO 210 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2pk9 n LYS 211 N 0.31 -2.45 -2.26 0.54 5.02 -1.26 -1.70 118.16 116.36 2pk9 n LYS 211 Ca 0.06 0.43 -0.14 0.00 -2.02 0.00 0.00 58.31 56.64 2pk9 n LYS 211 Cb 0.38 -5.00 -0.02 0.00 -0.02 0.00 0.00 35.03 30.37 2pk9 n LYS 211 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2pk9 n SER 212 N -1.71 -4.20 0.00 4.39 2.88 -0.92 -1.38 113.62 112.67 2pk9 n SER 212 Ca -0.10 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2pk9 n SER 212 Cb 0.58 -3.60 0.00 0.00 -0.75 0.00 0.00 64.21 60.44 2pk9 n SER 212 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2pk9 n GLY 213 N -0.75 0.58 2.68 0.46 0.00 -0.69 -4.93 105.19 102.55 2pk9 n GLY 213 Ca -0.16 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2pk9 n GLY 213 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pk9 n TYR 214 N -2.83 2.64 0.03 1.61 4.02 -0.48 -0.09 117.16 122.06 2pk9 n TYR 214 Ca 0.00 -2.67 0.01 0.00 -0.01 0.00 0.00 57.90 55.23 2pk9 n TYR 214 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 39.34 37.84 2pk9 n TYR 214 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2pk9 n ASN 215 N 1.19 1.62 0.12 7.72 3.02 -1.26 -4.79 115.26 122.88 2pk9 n ASN 215 Ca 0.47 -1.50 -0.12 0.00 -0.03 0.00 0.00 54.58 53.41 2pk9 n ASN 215 Cb 0.28 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 2pk9 n ASN 215 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2pk9 h VAL 216 N 0.40 0.73 -0.27 2.41 2.07 -1.84 -2.84 116.25 116.90 2pk9 h VAL 216 Ca 0.00 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 2pk9 h VAL 216 Cb 0.29 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2pk9 h VAL 216 CO 0.00 0.15 -0.13 -0.07 0.02 0.00 0.00 177.57 177.54 2pk9 h LEU 217 N -0.79 0.45 -0.28 2.57 3.38 -1.88 -1.04 115.31 117.71 2pk9 h LEU 217 Ca -0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2pk9 h LEU 217 Cb 0.51 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2pk9 h LEU 217 CO 0.06 0.61 0.00 0.44 0.09 0.00 0.00 178.44 179.64 2pk9 h ASP 218 N 0.43 0.48 -0.81 -0.43 5.19 -1.91 -0.65 116.42 118.71 2pk9 h ASP 218 Ca 0.08 -0.31 0.12 0.00 -0.62 0.00 0.00 57.03 56.31 2pk9 h ASP 218 Cb 0.48 -0.13 -0.09 0.00 0.18 0.00 0.00 39.33 39.78 2pk9 h ASP 218 CO 0.03 0.67 0.41 0.50 -3.12 0.00 0.00 179.24 177.73 2pk9 h LYS 219 N 0.27 0.61 -0.33 3.56 3.64 -1.07 0.19 116.57 123.46 2pk9 h LYS 219 Ca 0.08 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2pk9 h LYS 219 Cb 0.42 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2pk9 h LYS 219 CO 0.01 0.41 -0.28 1.88 -2.27 0.00 0.00 179.45 179.20 2pk9 h TYR 220 N 0.63 0.91 0.08 1.91 0.05 -1.15 -2.34 116.97 117.07 2pk9 h TYR 220 Ca 0.42 -0.26 0.02 0.00 0.05 0.00 0.00 58.73 58.95 2pk9 h TYR 220 Cb 0.54 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 2pk9 h TYR 220 CO -0.10 1.03 -0.18 -0.92 -1.05 0.00 0.00 178.16 176.94 2pk9 h TYR 221 N 0.54 -0.48 -0.68 4.88 3.20 0.10 -2.03 116.97 122.49 2pk9 h TYR 221 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2pk9 h TYR 221 Cb 0.85 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 2pk9 h TYR 221 CO 0.07 -0.27 0.44 0.00 -1.64 0.00 0.00 178.16 176.76 2pk9 h ARG 222 N -0.34 0.90 -0.28 1.82 3.08 -0.73 -2.98 114.38 115.85 2pk9 h ARG 222 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2pk9 h ARG 222 Cb 0.37 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2pk9 h ARG 222 CO -0.11 0.60 0.08 -0.09 -1.07 0.00 0.00 179.97 179.38 2pk9 h ARG 223 N 0.92 0.43 0.00 0.04 9.65 -1.00 -2.28 114.38 122.15 2pk9 h ARG 223 Ca 0.25 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.96 2pk9 h ARG 223 Cb -0.09 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.41 2pk9 h ARG 223 CO -0.05 0.50 -0.33 -0.84 2.80 0.00 0.00 179.97 182.05 2pk9 h ILE 224 N 0.28 0.78 0.00 1.20 3.07 -1.28 0.18 117.51 121.75 2pk9 h ILE 224 Ca 0.09 -1.41 -0.13 0.00 1.55 0.00 0.00 64.86 64.96 2pk9 h ILE 224 Cb 0.26 1.89 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 2pk9 h ILE 224 CO -0.00 0.32 -0.62 0.58 -1.05 0.00 0.00 178.15 177.38 2pk9 h VAL 225 N 0.00 1.23 0.14 0.16 2.07 -1.51 -1.23 116.25 117.12 2pk9 h VAL 225 Ca -0.00 -2.29 -0.23 0.00 0.82 0.00 0.00 66.70 65.00 2pk9 h VAL 225 Cb 0.86 2.31 0.03 0.00 -1.52 0.00 0.00 31.29 32.97 2pk9 h VAL 225 CO 0.04 0.60 -0.99 -0.61 0.02 0.00 0.00 177.57 176.64 2pk9 h GLN 226 N 0.00 0.42 0.00 1.57 4.15 -0.71 -3.10 115.11 117.43 2pk9 h GLN 226 Ca -0.01 -0.64 0.00 0.00 0.77 0.00 0.00 58.65 58.77 2pk9 h GLN 226 Cb 1.26 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.18 2pk9 h GLN 226 CO 0.08 1.29 0.00 1.28 -1.93 0.00 0.00 178.83 179.55 2pk9 n LEU 227 N -4.00 2.07 -0.81 -2.39 4.77 0.56 -4.56 117.00 112.64 2pk9 n LEU 227 Ca -0.14 0.11 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 2pk9 n LEU 227 Cb 0.89 -0.12 0.16 0.00 -2.33 0.00 0.00 43.42 42.02 2pk9 n LEU 227 CO 0.52 -0.12 0.58 1.33 -1.33 0.00 0.00 177.39 178.37 2pk9 n VAL 228 N -0.94 0.76 -0.32 4.08 0.24 -0.78 -4.32 118.33 117.05 2pk9 n VAL 228 Ca 0.00 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.34 61.75 2pk9 n VAL 228 Cb 0.00 -0.05 0.08 0.00 -1.47 0.00 0.00 33.84 32.40 2pk9 n VAL 228 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2pk9 h GLY 229 N 5.00 1.30 -0.57 7.63 0.00 -1.17 -3.43 103.07 111.81 2pk9 h GLY 229 Ca 0.00 -0.58 -0.25 0.00 0.00 0.00 0.00 47.33 46.49 2pk9 h GLY 229 CO 0.09 0.56 0.08 1.44 0.00 0.00 0.00 176.54 178.71 2pk9 n SER 230 N -4.36 -1.64 -0.15 0.19 7.64 -1.26 -0.67 113.62 113.37 2pk9 n SER 230 Ca 0.09 -0.94 0.13 0.00 1.01 0.00 0.00 58.87 59.16 2pk9 n SER 230 Cb 0.09 -0.64 0.47 0.00 -1.01 0.00 0.00 64.21 63.12 2pk9 n SER 230 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2pk9 n PHE 231 N -3.98 0.00 -3.24 1.43 -0.00 -1.26 -4.69 117.46 105.71 2pk9 n PHE 231 Ca 0.10 0.00 -0.46 0.00 -0.00 0.00 0.00 57.45 57.09 2pk9 n PHE 231 Cb 0.38 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.48 39.65 2pk9 n PHE 231 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2pk9 s ASN 232 N -2.59 6.80 0.19 -2.13 0.01 -1.26 -4.61 114.94 111.35 2pk9 s ASN 232 Ca 0.24 -2.67 0.00 0.00 -0.71 0.00 0.00 52.86 49.72 2pk9 s ASN 232 Cb 0.19 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.60 2pk9 s ASN 232 CO 0.53 -0.64 0.00 0.00 -1.51 0.00 0.00 177.10 175.47 2pk9 n ALA 233 N 4.38 3.00 0.00 0.60 0.00 -1.26 -4.91 120.51 122.32 2pk9 n ALA 233 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2pk9 n ALA 233 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2pk9 n ALA 233 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2pk9 n SER 234 N -3.15 0.00 -3.57 0.00 7.64 -1.26 -4.79 113.62 108.48 2pk9 n SER 234 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 2pk9 n SER 234 Cb 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2pk9 n SER 234 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2pk9 n PRO 235 N 0.00 4.82 -0.13 1.43 -0.04 -1.26 -4.64 135.00 135.18 2pk9 n PRO 235 Ca 0.00 -3.91 -0.04 0.00 -0.04 0.00 0.00 63.50 59.51 2pk9 n PRO 235 Cb 0.00 -2.59 0.04 0.00 -0.04 0.00 0.00 33.50 30.91 2pk9 n PRO 235 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2pk9 h ASP 236 N 4.57 0.08 -1.14 3.54 5.19 -1.94 -2.79 116.42 123.93 2pk9 h ASP 236 Ca 0.61 0.06 0.39 0.00 -0.62 0.00 0.00 57.03 57.48 2pk9 h ASP 236 Cb 0.34 0.07 -0.15 0.00 0.18 0.00 0.00 39.33 39.77 2pk9 h ASP 236 CO 1.38 0.08 0.69 0.50 -3.12 0.00 0.00 179.24 178.77 2pk9 h LYS 237 N 0.26 0.14 0.12 3.56 1.63 -1.98 -3.16 116.57 117.15 2pk9 h LYS 237 Ca 0.20 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2pk9 h LYS 237 Cb 0.22 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2pk9 h LYS 237 CO -0.24 0.09 -0.06 0.77 -3.45 0.00 0.00 179.45 176.57 2pk9 h SER 238 N 0.14 -0.14 -2.82 4.20 0.02 -1.89 -3.44 113.55 109.62 2pk9 h SER 238 Ca 0.80 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.46 2pk9 h SER 238 Cb 2.20 0.04 -0.35 0.00 0.14 0.00 0.00 62.40 64.42 2pk9 h SER 238 CO -0.56 -0.10 -0.61 -0.60 -1.14 0.00 0.00 176.83 173.82 2pk9 s ARG 239 N -3.28 0.12 -1.14 3.45 6.06 -1.19 -5.08 118.95 117.89 2pk9 s ARG 239 Ca -0.02 0.45 -0.21 0.00 -2.50 0.00 0.00 55.73 53.44 2pk9 s ARG 239 Cb 0.00 -0.63 0.02 0.00 0.06 0.00 0.00 34.95 34.40 2pk9 s ARG 239 CO 0.07 -0.45 1.72 0.21 -2.50 0.00 0.00 175.30 174.36 2pk9 s LYS 240 N 2.33 3.37 -0.12 5.12 2.20 -1.26 -4.91 119.74 126.47 2pk9 s LYS 240 Ca 0.04 -1.33 -0.14 0.00 -0.36 0.00 0.00 55.97 54.19 2pk9 s LYS 240 Cb -0.14 -5.36 0.04 0.00 -1.51 0.00 0.00 37.83 30.86 2pk9 s LYS 240 CO -0.09 -2.74 0.38 0.14 -0.36 0.00 0.00 175.35 172.68 2pk9 s VAL 241 N 6.62 0.01 -0.13 4.02 -7.23 -1.26 -4.23 120.40 118.19 2pk9 s VAL 241 Ca 0.57 -0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.56 2pk9 s VAL 241 Cb 0.00 -0.56 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 2pk9 s VAL 241 CO 0.02 -0.04 0.23 -1.81 -0.31 0.00 0.00 175.10 173.19 2pk9 s ASP 242 N -0.05 6.42 -0.15 4.85 1.01 -0.55 -4.28 116.67 123.92 2pk9 s ASP 242 Ca -0.02 0.50 -0.01 0.00 0.71 0.00 0.00 52.55 53.72 2pk9 s ASP 242 Cb -0.03 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 2pk9 s ASP 242 CO 0.01 0.24 -0.10 -0.31 0.21 0.00 0.00 175.17 175.23 2pk9 s TYR 243 N -0.23 2.88 0.22 4.23 1.51 0.16 -2.24 117.35 123.88 2pk9 s TYR 243 Ca 0.15 -0.66 0.08 0.00 -1.01 0.00 0.00 57.07 55.64 2pk9 s TYR 243 Cb -0.13 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2pk9 s TYR 243 CO 0.04 -0.25 0.02 0.08 -1.11 0.00 0.00 175.55 174.32 2pk9 s VAL 244 N 0.58 3.67 -0.15 0.71 1.01 -1.00 -4.49 120.40 120.73 2pk9 s VAL 244 Ca -0.06 -1.63 -0.04 0.00 0.00 0.00 0.00 61.98 60.25 2pk9 s VAL 244 Cb -0.15 -2.91 0.06 0.00 0.00 0.00 0.00 36.38 33.38 2pk9 s VAL 244 CO 0.03 -0.24 0.11 -0.22 0.00 0.00 0.00 175.10 174.78 2pk9 s LEU 245 N -3.33 0.20 0.09 3.92 2.96 -1.26 -1.46 118.68 119.80 2pk9 s LEU 245 Ca 0.29 -0.39 -0.33 0.00 -0.22 0.00 0.00 54.13 53.49 2pk9 s LEU 245 Cb -0.08 -0.08 -0.18 0.00 0.50 0.00 0.00 46.19 46.35 2pk9 s LEU 245 CO 0.20 -0.33 0.78 -2.65 -1.32 0.00 0.00 176.35 173.03 2pk9 n PRO 246 N 5.29 0.00 -1.57 0.98 -0.02 -1.26 -4.71 135.00 133.72 2pk9 n PRO 246 Ca -0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 2pk9 n PRO 246 Cb 0.49 -1.21 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 2pk9 n PRO 246 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2pk9 n PRO 247 N 1.21 2.30 0.00 0.52 -0.02 -1.26 -5.05 135.00 132.71 2pk9 n PRO 247 Ca 0.18 -2.34 0.00 0.00 -2.02 0.00 0.00 63.50 59.32 2pk9 n PRO 247 Cb 0.15 -3.17 0.00 0.00 -0.02 0.00 0.00 33.50 30.46 2pk9 n PRO 247 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77