#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnr h GLN 15 N 0.00 0.16 0.05 1.64 1.08 -2.05 -2.44 115.11 113.55 2pnr h GLN 15 Ca 0.00 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2pnr h GLN 15 Cb 0.00 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 2pnr h GLN 15 CO 0.00 0.44 -0.32 0.82 -0.95 0.00 0.00 178.83 178.83 2pnr h ILE 16 N -0.14 0.32 -0.90 2.54 2.04 -1.99 -0.36 117.51 119.01 2pnr h ILE 16 Ca 0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.07 2pnr h ILE 16 Cb 0.38 0.32 -0.11 0.00 -0.74 0.00 0.00 36.82 36.67 2pnr h ILE 16 CO 0.01 0.00 0.47 -0.08 0.00 0.00 0.00 178.15 178.54 2pnr h GLU 17 N -0.50 0.56 -0.52 2.37 4.57 -1.96 0.67 114.58 119.77 2pnr h GLU 17 Ca 0.05 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 2pnr h GLU 17 Cb 0.56 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2pnr h GLU 17 CO -0.23 0.37 0.04 -0.09 -1.18 0.00 0.00 179.01 177.92 2pnr h ARG 18 N 0.58 0.90 0.00 1.92 2.43 -0.75 -2.80 114.38 116.65 2pnr h ARG 18 Ca 0.53 -0.27 -0.16 0.00 -0.81 0.00 0.00 59.98 59.27 2pnr h ARG 18 Cb 0.87 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 2pnr h ARG 18 CO -0.43 0.90 -0.76 1.88 -1.51 0.00 0.00 179.97 180.06 2pnr h TYR 19 N 0.77 0.00 0.00 2.20 0.05 0.59 -3.26 116.97 117.32 2pnr h TYR 19 Ca 0.15 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 2pnr h TYR 19 Cb 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 2pnr h TYR 19 CO 0.04 0.76 -0.27 0.66 -1.05 0.00 0.00 178.16 178.29 2pnr h SER 20 N 0.00 0.00 1.41 3.88 4.64 0.33 -3.08 113.55 120.72 2pnr h SER 20 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2pnr h SER 20 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2pnr h SER 20 CO 0.10 0.27 0.00 -0.09 -0.87 0.00 0.00 176.83 176.23 2pnr h ARG 21 N 0.00 0.00 -7.08 4.77 2.43 -1.53 -3.44 114.38 109.53 2pnr h ARG 21 Ca -0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 2pnr h ARG 21 Cb 1.03 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 30.65 2pnr h ARG 21 CO 0.03 0.00 0.44 -0.06 -1.51 0.00 0.00 179.97 178.87 2pnr s PHE 22 N -3.19 2.71 -0.22 2.20 2.99 -1.17 -5.01 117.98 116.28 2pnr s PHE 22 Ca 0.08 1.54 -0.11 0.00 0.00 0.00 0.00 56.93 58.44 2pnr s PHE 22 Cb 0.10 -3.29 -0.05 0.00 0.00 0.00 0.00 43.02 39.78 2pnr s PHE 22 CO 0.57 -1.54 0.20 -1.12 -0.00 0.00 0.00 175.22 173.33 2pnr s SER 23 N -1.73 6.20 0.54 1.36 0.01 -1.26 -4.91 113.70 113.92 2pnr s SER 23 Ca 0.71 0.22 -0.18 0.00 1.31 0.00 0.00 55.95 58.02 2pnr s SER 23 Cb -0.24 -2.13 -0.11 0.00 0.21 0.00 0.00 66.02 63.75 2pnr s SER 23 CO 0.28 0.07 0.24 -2.65 0.41 0.00 0.00 173.24 171.58 2pnr n PRO 24 N 4.12 0.28 -3.88 12.44 -0.02 -1.26 -4.93 135.00 141.75 2pnr n PRO 24 Ca -0.14 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.10 2pnr n PRO 24 Cb 0.52 -1.40 -0.14 0.00 -0.02 0.00 0.00 33.50 32.46 2pnr n PRO 24 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2pnr s SER 25 N -1.10 4.60 0.35 2.55 0.01 -1.26 -5.09 113.70 113.76 2pnr s SER 25 Ca 0.64 -0.70 -0.26 0.00 1.31 0.00 0.00 55.95 56.93 2pnr s SER 25 Cb -0.47 -1.76 -0.09 0.00 0.21 0.00 0.00 66.02 63.91 2pnr s SER 25 CO 0.59 -0.12 1.10 -2.84 0.41 0.00 0.00 173.24 172.38 2pnr s PRO 26 N 1.42 4.32 0.04 12.44 0.02 -1.26 -5.05 135.00 146.94 2pnr s PRO 26 Ca 0.02 1.72 0.05 0.00 0.02 0.00 0.00 61.00 62.81 2pnr s PRO 26 Cb -0.16 -2.83 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 2pnr s PRO 26 CO -0.02 -0.05 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.94 2pnr s LEU 27 N -2.13 2.16 0.35 -5.54 1.43 -1.26 -4.89 118.68 108.80 2pnr s LEU 27 Ca 0.52 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2pnr s LEU 27 Cb -0.28 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 2pnr s LEU 27 CO 0.36 0.07 0.51 -0.94 0.23 0.00 0.00 176.35 176.58 2pnr s SER 28 N -1.11 6.04 0.51 2.29 1.04 -1.26 -0.34 113.70 120.87 2pnr s SER 28 Ca 0.03 0.06 0.28 0.00 0.48 0.00 0.00 55.95 56.80 2pnr s SER 28 Cb -0.08 -1.52 1.35 0.00 0.10 0.00 0.00 66.02 65.86 2pnr s SER 28 CO 0.01 -0.42 2.01 0.40 0.98 0.00 0.00 173.24 176.23 2pnr h ILE 29 N 0.80 0.51 -0.15 -1.02 2.04 -1.07 -1.68 117.51 116.94 2pnr h ILE 29 Ca -0.48 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 64.59 2pnr h ILE 29 Cb 1.25 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2pnr h ILE 29 CO 0.56 0.13 -0.41 0.50 0.00 0.00 0.00 178.15 178.94 2pnr h LYS 30 N 0.00 0.53 -0.08 2.37 3.64 -1.79 -1.28 116.57 119.96 2pnr h LYS 30 Ca -0.00 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2pnr h LYS 30 Cb 0.44 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2pnr h LYS 30 CO 0.02 1.00 0.05 1.96 -2.27 0.00 0.00 179.45 180.20 2pnr h GLN 31 N 0.16 0.11 -0.41 1.90 4.20 -1.76 0.18 115.11 119.49 2pnr h GLN 31 Ca -0.01 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.77 2pnr h GLN 31 Cb 1.02 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.71 2pnr h GLN 31 CO 0.09 0.12 0.01 0.74 -0.67 0.00 0.00 178.83 179.12 2pnr h PHE 32 N 0.07 -0.01 -0.33 2.96 0.04 -1.32 0.67 116.94 119.02 2pnr h PHE 32 Ca 0.03 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.79 2pnr h PHE 32 Cb 0.04 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 2pnr h PHE 32 CO -0.06 -0.08 0.05 1.25 -0.60 0.00 0.00 178.31 178.88 2pnr h LEU 33 N 0.12 0.53 0.23 1.54 5.85 -0.94 -2.13 115.31 120.50 2pnr h LEU 33 Ca 0.20 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2pnr h LEU 33 Cb 0.29 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2pnr h LEU 33 CO -0.33 0.65 -0.15 0.44 -0.34 0.00 0.00 178.44 178.71 2pnr h ASP 34 N 0.38 -0.38 0.18 1.25 3.32 -0.22 -2.39 116.42 118.56 2pnr h ASP 34 Ca 0.10 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.19 2pnr h ASP 34 Cb 0.35 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 2pnr h ASP 34 CO 0.01 -0.24 -0.42 0.15 -1.72 0.00 0.00 179.24 177.01 2pnr h PHE 35 N -0.38 -1.18 0.00 4.55 3.57 -0.81 -0.84 116.94 121.85 2pnr h PHE 35 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2pnr h PHE 35 Cb 0.32 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2pnr h PHE 35 CO -0.10 -0.53 0.00 0.41 -2.23 0.00 0.00 178.31 175.86 2pnr n GLY 36 N -1.47 -0.84 0.00 2.40 0.00 -0.81 -0.48 105.19 103.99 2pnr n GLY 36 Ca -0.08 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.82 2pnr n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pnr n ARG 37 N -0.90 0.40 0.00 1.61 0.63 -0.90 -4.63 116.66 112.87 2pnr n ARG 37 Ca 0.16 -0.03 -0.01 0.00 -0.92 0.00 0.00 57.85 57.05 2pnr n ARG 37 Cb 0.07 -1.07 -0.00 0.00 0.45 0.00 0.00 32.46 31.91 2pnr n ARG 37 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2pnr n ASP 38 N -1.61 0.44 0.00 6.15 -0.08 -0.36 -4.94 116.55 116.15 2pnr n ASP 38 Ca -0.01 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2pnr n ASP 38 Cb 0.10 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.30 2pnr n ASP 38 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2pnr n ASN 39 N -2.92 0.00 -3.43 1.67 4.05 -0.53 -4.91 115.26 109.20 2pnr n ASN 39 Ca -0.01 0.28 -0.23 0.00 0.45 0.00 0.00 54.58 55.06 2pnr n ASN 39 Cb 0.05 0.00 0.07 0.00 1.23 0.00 0.00 39.78 41.14 2pnr n ASN 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnr n ALA 40 N -1.63 -1.23 -3.13 5.20 0.00 0.37 -4.95 120.51 115.14 2pnr n ALA 40 Ca 0.00 0.39 -0.45 0.00 0.00 0.00 0.00 53.44 53.37 2pnr n ALA 40 Cb 0.00 -5.24 -0.04 0.00 0.00 0.00 0.00 19.45 14.17 2pnr n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnr h GLU 42 N 8.79 0.00 -0.17 0.00 4.81 -1.99 0.20 114.58 126.23 2pnr h GLU 42 Ca -0.12 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.91 2pnr h GLU 42 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2pnr h GLU 42 CO 1.02 0.00 -0.69 0.87 -0.73 0.00 0.00 179.01 179.48 2pnr h LYS 43 N 0.00 0.68 0.19 1.92 1.57 -1.96 -2.74 116.57 116.24 2pnr h LYS 43 Ca 0.49 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2pnr h LYS 43 Cb 2.24 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.64 2pnr h LYS 43 CO -0.01 1.13 -0.09 1.15 -0.57 0.00 0.00 179.45 181.06 2pnr h THR 44 N 0.49 0.90 -0.57 -0.16 2.02 -1.03 -2.63 112.91 111.93 2pnr h THR 44 Ca -0.03 -0.83 0.11 0.00 0.77 0.00 0.00 66.41 66.44 2pnr h THR 44 Cb 1.29 1.36 -0.11 0.00 -1.74 0.00 0.00 68.15 68.95 2pnr h THR 44 CO 0.14 0.18 -0.23 -1.28 0.37 0.00 0.00 175.52 174.70 2pnr h SER 45 N -0.70 -0.80 -0.43 4.18 0.87 -1.54 0.51 113.55 115.65 2pnr h SER 45 Ca -0.03 0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.82 2pnr h SER 45 Cb 0.49 0.45 -0.09 0.00 -0.44 0.00 0.00 62.40 62.81 2pnr h SER 45 CO 0.04 -0.25 -0.15 0.22 -0.53 0.00 0.00 176.83 176.16 2pnr h TYR 46 N -0.09 -0.36 -0.65 2.24 3.20 -1.51 0.21 116.97 120.01 2pnr h TYR 46 Ca 0.26 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.22 2pnr h TYR 46 Cb 0.49 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 2pnr h TYR 46 CO -0.54 -0.24 0.37 0.52 -1.64 0.00 0.00 178.16 176.63 2pnr h MET 47 N -0.06 0.68 0.23 1.82 2.86 -0.66 -1.74 114.93 118.05 2pnr h MET 47 Ca 0.21 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2pnr h MET 47 Cb 0.38 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2pnr h MET 47 CO -0.47 0.45 -0.11 0.35 1.06 0.00 0.00 176.91 178.19 2pnr h PHE 48 N 0.70 -0.28 -0.20 -0.22 3.57 0.09 -3.28 116.94 117.31 2pnr h PHE 48 Ca 0.28 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 2pnr h PHE 48 Cb 0.14 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2pnr h PHE 48 CO -0.07 0.08 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.89 2pnr h LEU 49 N -0.71 0.31 -1.73 0.59 3.38 -0.60 0.76 115.31 117.31 2pnr h LEU 49 Ca -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2pnr h LEU 49 Cb 0.49 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2pnr h LEU 49 CO 0.05 0.46 -0.13 0.08 0.09 0.00 0.00 178.44 178.99 2pnr h ARG 50 N 0.30 0.00 0.00 1.13 0.11 -1.39 -1.56 114.38 112.98 2pnr h ARG 50 Ca 0.06 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.74 2pnr h ARG 50 Cb 0.41 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.42 2pnr h ARG 50 CO 0.02 0.13 -2.46 1.63 0.10 0.00 0.00 179.97 179.40 2pnr n LYS 51 N -3.51 0.61 -0.12 0.08 5.02 -1.02 -4.38 118.16 114.85 2pnr n LYS 51 Ca -0.01 0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 56.33 2pnr n LYS 51 Cb 0.28 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2pnr n LYS 51 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2pnr h GLU 52 N -0.28 0.83 -0.61 1.97 4.57 -0.83 -3.04 114.58 117.18 2pnr h GLU 52 Ca -0.60 -0.40 -0.02 0.00 -1.18 0.00 0.00 59.36 57.15 2pnr h GLU 52 Cb 1.79 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.35 2pnr h GLU 52 CO -0.18 1.04 0.29 -0.07 -1.18 0.00 0.00 179.01 178.91 2pnr h LEU 53 N 0.62 0.80 -1.60 1.64 3.38 -1.50 -1.66 115.31 117.00 2pnr h LEU 53 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2pnr h LEU 53 Cb 0.84 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2pnr h LEU 53 CO 0.07 0.71 -0.10 1.55 0.09 0.00 0.00 178.44 180.76 2pnr h PRO 54 N 0.84 0.00 0.18 1.13 0.13 -1.76 -0.51 132.00 132.01 2pnr h PRO 54 Ca 0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 2pnr h PRO 54 Cb 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2pnr h PRO 54 CO -0.03 0.10 -0.09 0.28 -0.23 0.00 0.00 178.00 178.04 2pnr h VAL 55 N 0.00 0.92 -0.68 1.56 2.07 -1.21 0.37 116.25 119.28 2pnr h VAL 55 Ca -0.00 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2pnr h VAL 55 Cb 0.50 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2pnr h VAL 55 CO 0.01 0.16 0.26 0.03 0.02 0.00 0.00 177.57 178.05 2pnr h ARG 56 N -0.60 1.02 -0.42 1.57 3.08 -1.18 -1.42 114.38 116.42 2pnr h ARG 56 Ca -0.03 -0.18 -0.08 0.00 0.07 0.00 0.00 59.98 59.76 2pnr h ARG 56 Cb 0.44 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2pnr h ARG 56 CO 0.04 0.84 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.64 2pnr h LEU 57 N 0.99 0.70 -0.11 3.04 3.38 -1.02 -2.32 115.31 119.96 2pnr h LEU 57 Ca 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2pnr h LEU 57 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pnr h LEU 57 CO -0.02 0.82 -0.02 0.00 0.09 0.00 0.00 178.44 179.31 2pnr h ALA 58 N 1.26 0.15 -0.95 1.53 0.00 -0.36 -1.60 119.26 119.29 2pnr h ALA 58 Ca 0.12 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2pnr h ALA 58 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2pnr h ALA 58 CO 0.03 -0.12 0.61 -0.91 0.00 0.00 0.00 179.25 178.86 2pnr h ASN 59 N -0.10 0.96 -0.30 0.00 -0.26 -1.17 -1.56 115.58 113.16 2pnr h ASN 59 Ca 0.03 0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 2pnr h ASN 59 Cb 0.42 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2pnr h ASN 59 CO 0.01 0.62 -0.07 0.74 -1.06 0.00 0.00 177.43 177.66 2pnr h THR 60 N 1.09 1.28 -0.94 2.81 2.02 -1.30 -3.17 112.91 114.70 2pnr h THR 60 Ca 0.41 -1.11 0.14 0.00 0.77 0.00 0.00 66.41 66.62 2pnr h THR 60 Cb 0.19 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.89 2pnr h THR 60 CO -0.16 0.36 0.56 0.24 0.37 0.00 0.00 175.52 176.89 2pnr h MET 61 N 0.35 0.81 -0.83 6.66 2.86 -0.35 -0.69 114.93 123.75 2pnr h MET 61 Ca 0.08 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2pnr h MET 61 Cb 0.56 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2pnr h MET 61 CO 0.03 0.54 0.47 0.00 1.06 0.00 0.00 176.91 179.01 2pnr h ARG 62 N 0.84 1.13 0.00 1.72 2.47 -1.31 -1.13 114.38 118.10 2pnr h ARG 62 Ca 0.49 -0.12 -0.18 0.00 -1.26 0.00 0.00 59.98 58.92 2pnr h ARG 62 Cb 0.59 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 2pnr h ARG 62 CO -0.31 0.81 -0.83 0.93 0.56 0.00 0.00 179.97 181.14 2pnr h GLU 63 N 1.15 0.03 0.00 0.04 5.08 -1.21 -2.46 114.58 117.21 2pnr h GLU 63 Ca 0.29 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2pnr h GLU 63 Cb -0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pnr h GLU 63 CO -0.05 0.84 0.00 -0.24 -1.00 0.00 0.00 179.01 178.55 2pnr h VAL 64 N 0.01 0.00 -0.00 3.13 3.04 -0.75 -2.25 116.25 119.43 2pnr h VAL 64 Ca -0.01 -0.66 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2pnr h VAL 64 Cb 1.46 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.39 2pnr h VAL 64 CO 0.11 0.00 -0.40 -3.20 -1.01 0.00 0.00 177.57 173.07 2pnr n ASN 65 N -3.05 0.52 -1.23 3.17 5.15 -0.47 -3.55 115.26 115.80 2pnr n ASN 65 Ca 0.02 -0.27 0.11 0.00 -0.60 0.00 0.00 54.58 53.84 2pnr n ASN 65 Cb 0.38 0.15 0.29 0.00 -0.53 0.00 0.00 39.78 40.07 2pnr n ASN 65 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2pnr n LEU 66 N -1.37 3.57 -4.78 1.20 7.99 -0.85 -4.96 117.00 117.81 2pnr n LEU 66 Ca 0.07 -1.78 -0.36 0.00 -0.01 0.00 0.00 56.01 53.93 2pnr n LEU 66 Cb 0.33 -0.44 -0.04 0.00 -0.11 0.00 0.00 43.42 43.17 2pnr n LEU 66 CO 0.33 0.89 0.74 -0.76 -1.51 0.00 0.00 177.39 177.08 2pnr s LEU 67 N -1.02 4.11 0.22 2.23 1.02 -1.23 -4.86 118.68 119.15 2pnr s LEU 67 Ca 0.45 2.05 -0.31 0.00 0.02 0.00 0.00 54.13 56.33 2pnr s LEU 67 Cb 0.23 -4.22 -0.11 0.00 0.02 0.00 0.00 46.19 42.11 2pnr s LEU 67 CO 0.31 -0.54 1.66 -2.16 0.02 0.00 0.00 176.35 175.64 2pnr s PRO 68 N -2.57 4.14 0.38 1.29 0.04 -1.26 -4.73 135.00 132.30 2pnr s PRO 68 Ca 0.59 2.55 0.14 0.00 0.04 0.00 0.00 61.00 64.31 2pnr s PRO 68 Cb -0.22 -3.08 0.96 0.00 0.04 0.00 0.00 34.50 32.20 2pnr s PRO 68 CO 0.27 -0.70 1.83 0.22 0.04 0.00 0.00 177.00 178.67 2pnr h ASP 69 N 6.39 0.54 0.06 6.66 1.82 -1.96 -1.73 116.42 128.20 2pnr h ASP 69 Ca -0.44 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 2pnr h ASP 69 Cb 1.21 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.17 2pnr h ASP 69 CO 0.91 0.21 0.00 0.59 -1.61 0.00 0.00 179.24 179.35 2pnr n ASN 70 N -4.58 0.00 -0.09 2.28 5.03 -1.26 -0.38 115.26 116.25 2pnr n ASN 70 Ca 0.20 0.19 -0.20 0.00 0.87 0.00 0.00 54.58 55.64 2pnr n ASN 70 Cb 0.65 -0.25 -0.07 0.00 -1.02 0.00 0.00 39.78 39.09 2pnr n ASN 70 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2pnr n LEU 71 N -1.25 1.41 0.16 3.41 7.94 -0.66 -4.24 117.00 123.76 2pnr n LEU 71 Ca 0.02 0.21 0.17 0.00 -1.11 0.00 0.00 56.01 55.30 2pnr n LEU 71 Cb 0.03 -0.55 0.78 0.00 0.53 0.00 0.00 43.42 44.20 2pnr n LEU 71 CO 0.03 0.41 1.15 0.25 -1.11 0.00 0.00 177.39 178.12 2pnr h LEU 72 N -0.64 0.00 -0.71 -1.96 6.46 -1.31 0.27 115.31 117.42 2pnr h LEU 72 Ca -0.47 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.30 2pnr h LEU 72 Cb 1.43 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.32 2pnr h LEU 72 CO -0.28 0.00 0.47 0.78 -0.62 0.00 0.00 178.44 178.79 2pnr h ASN 73 N 0.00 0.80 -0.91 1.25 2.35 -0.92 -3.36 115.58 114.79 2pnr h ASN 73 Ca 0.12 -0.02 -0.62 0.00 -0.55 0.00 0.00 56.30 55.23 2pnr h ASN 73 Cb 0.60 -0.20 0.09 0.00 0.05 0.00 0.00 38.32 38.87 2pnr h ASN 73 CO -0.00 0.58 -0.42 0.54 -1.65 0.00 0.00 177.43 176.48 2pnr n ARG 74 N -4.60 0.00 0.07 0.81 5.12 0.96 -4.61 116.66 114.40 2pnr n ARG 74 Ca 0.07 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.87 2pnr n ARG 74 Cb 0.03 -0.97 -0.07 0.00 -1.16 0.00 0.00 32.46 30.29 2pnr n ARG 74 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2pnr h PRO 75 N 1.14 -0.52 -0.88 5.56 0.11 -1.88 0.11 132.00 135.63 2pnr h PRO 75 Ca -0.28 0.04 0.23 0.00 0.11 0.00 0.00 66.00 66.10 2pnr h PRO 75 Cb 1.31 0.12 -0.14 0.00 0.11 0.00 0.00 31.00 32.40 2pnr h PRO 75 CO 0.53 -0.35 0.29 0.77 -0.21 0.00 0.00 178.00 179.03 2pnr h SER 76 N -0.54 0.12 0.15 -2.05 0.02 -1.91 0.55 113.55 109.88 2pnr h SER 76 Ca -0.00 0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 2pnr h SER 76 Cb 0.56 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2pnr h SER 76 CO -0.23 -0.11 -0.39 0.58 -1.14 0.00 0.00 176.83 175.54 2pnr h VAL 77 N 0.27 1.30 -0.69 2.27 2.07 -1.71 -2.04 116.25 117.71 2pnr h VAL 77 Ca 0.56 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.59 2pnr h VAL 77 Cb 1.11 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 2pnr h VAL 77 CO -0.61 0.46 0.45 1.23 0.02 0.00 0.00 177.57 179.11 2pnr h GLY 78 N 1.17 0.98 1.00 2.17 0.00 0.27 -1.68 103.07 106.98 2pnr h GLY 78 Ca 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2pnr h GLY 78 CO 0.07 0.32 0.63 -2.00 0.00 0.00 0.00 176.54 175.56 2pnr h LEU 79 N 0.90 1.09 0.12 3.11 5.85 -0.88 -3.10 115.31 122.41 2pnr h LEU 79 Ca 0.26 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2pnr h LEU 79 Cb -0.06 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.70 2pnr h LEU 79 CO -0.08 0.79 -0.06 0.58 -0.34 0.00 0.00 178.44 179.33 2pnr h VAL 80 N 1.29 1.06 -0.39 1.05 2.07 -0.78 -2.68 116.25 117.87 2pnr h VAL 80 Ca 0.35 -0.93 0.11 0.00 0.82 0.00 0.00 66.70 67.05 2pnr h VAL 80 Cb -0.14 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2pnr h VAL 80 CO -0.08 0.22 0.28 -0.61 0.02 0.00 0.00 177.57 177.40 2pnr h GLN 81 N -0.62 0.00 0.14 1.57 4.15 -1.31 -1.34 115.11 117.70 2pnr h GLN 81 Ca -0.02 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.21 2pnr h GLN 81 Cb 0.48 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.19 2pnr h GLN 81 CO 0.03 0.00 -0.83 0.66 -1.93 0.00 0.00 178.83 176.76 2pnr h SER 82 N 0.00 0.48 -0.63 -0.69 4.64 -1.58 -2.89 113.55 112.89 2pnr h SER 82 Ca 0.18 -0.95 0.10 0.00 -0.47 0.00 0.00 61.79 60.66 2pnr h SER 82 Cb 0.74 -0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 62.60 2pnr h SER 82 CO -0.00 1.40 0.22 -0.50 -0.87 0.00 0.00 176.83 177.08 2pnr h TRP 83 N -0.34 0.38 -0.83 4.77 6.55 -0.92 0.70 115.95 126.25 2pnr h TRP 83 Ca -0.14 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.69 2pnr h TRP 83 Cb 1.65 -0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 29.84 2pnr h TRP 83 CO 0.19 0.07 0.38 1.88 -1.05 0.00 0.00 178.44 179.92 2pnr h TYR 84 N 0.39 1.21 -0.13 0.49 -1.99 -1.40 -1.82 116.97 113.74 2pnr h TYR 84 Ca 0.33 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.98 2pnr h TYR 84 Cb 0.43 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 2pnr h TYR 84 CO -0.18 0.89 0.05 1.98 -0.00 0.00 0.00 178.16 180.90 2pnr h MET 85 N 1.19 0.19 -0.16 4.88 4.05 -0.63 0.03 114.93 124.48 2pnr h MET 85 Ca 0.28 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.71 2pnr h MET 85 Cb 0.14 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 30.84 2pnr h MET 85 CO -0.03 0.27 -0.46 0.37 0.23 0.00 0.00 176.91 177.29 2pnr h GLN 86 N 0.06 -0.49 -0.56 0.39 4.15 0.57 0.98 115.11 120.21 2pnr h GLN 86 Ca 0.04 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.57 2pnr h GLN 86 Cb 0.15 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 2pnr h GLN 86 CO -0.00 -0.33 0.22 0.77 -1.93 0.00 0.00 178.83 177.56 2pnr h SER 87 N -0.51 0.25 -0.88 -0.69 0.02 -1.23 0.72 113.55 111.23 2pnr h SER 87 Ca 0.07 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2pnr h SER 87 Cb 0.64 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 2pnr h SER 87 CO -0.43 0.16 0.56 0.15 -1.14 0.00 0.00 176.83 176.13 2pnr h PHE 88 N 0.42 1.04 0.20 3.45 3.57 0.08 -1.50 116.94 124.21 2pnr h PHE 88 Ca 0.27 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2pnr h PHE 88 Cb 0.29 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.69 2pnr h PHE 88 CO -0.15 0.56 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.32 2pnr h LEU 89 N 1.04 -0.23 -0.88 0.59 3.38 -0.06 -3.06 115.31 116.08 2pnr h LEU 89 Ca 0.37 -0.25 0.20 0.00 0.09 0.00 0.00 57.88 58.30 2pnr h LEU 89 Cb 0.11 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.76 2pnr h LEU 89 CO -0.15 0.30 -0.09 -0.33 0.09 0.00 0.00 178.44 178.26 2pnr h GLU 90 N -0.95 0.03 0.00 1.13 5.08 -0.82 0.99 114.58 120.03 2pnr h GLU 90 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2pnr h GLU 90 Cb 0.47 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2pnr h GLU 90 CO 0.05 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.36 2pnr n LEU 91 N -5.49 0.34 0.14 1.33 4.77 -0.57 -2.82 117.00 114.70 2pnr n LEU 91 Ca 0.16 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.83 2pnr n LEU 91 Cb 0.55 -0.51 0.15 0.00 -2.33 0.00 0.00 43.42 41.28 2pnr n LEU 91 CO -0.04 -0.33 0.48 0.25 -1.33 0.00 0.00 177.39 176.43 2pnr h LEU 92 N 0.00 0.00 -2.46 2.23 5.85 0.11 -3.27 115.31 117.77 2pnr h LEU 92 Ca 0.00 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2pnr h LEU 92 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2pnr h LEU 92 CO 0.00 0.02 0.09 -0.33 -0.34 0.00 0.00 178.44 177.88 2pnr h GLU 93 N 0.00 0.00 -0.65 1.25 5.08 -1.38 0.28 114.58 119.16 2pnr h GLU 93 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pnr h GLU 93 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2pnr h GLU 93 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 2pnr n TYR 94 N -3.62 0.98 -0.12 4.33 4.02 -1.23 -4.40 117.16 117.12 2pnr n TYR 94 Ca -0.01 -0.37 -0.07 0.00 -0.01 0.00 0.00 57.90 57.44 2pnr n TYR 94 Cb 0.18 -0.22 -0.01 0.00 -0.02 0.00 0.00 39.34 39.27 2pnr n TYR 94 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2pnr h GLU 95 N 2.33 -0.22 -1.05 -0.72 4.57 -0.64 -3.21 114.58 115.65 2pnr h GLU 95 Ca 0.00 0.02 -0.40 0.00 -1.18 0.00 0.00 59.36 57.80 2pnr h GLU 95 Cb 1.08 0.05 -0.40 0.00 -0.16 0.00 0.00 28.75 29.32 2pnr h GLU 95 CO 0.19 -0.15 -1.10 0.27 -1.18 0.00 0.00 179.01 177.04 2pnr n ASN 96 N -5.41 2.10 -4.90 1.04 6.94 -1.26 -5.07 115.26 108.69 2pnr n ASN 96 Ca 0.01 -2.86 -0.32 0.00 -0.02 0.00 0.00 54.58 51.40 2pnr n ASN 96 Cb 0.33 -0.51 -0.05 0.00 -2.36 0.00 0.00 39.78 37.20 2pnr n ASN 96 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2pnr s LYS 97 N -3.25 3.55 -0.17 -3.83 1.02 -1.22 -5.08 119.74 110.75 2pnr s LYS 97 Ca 0.31 -0.21 -0.19 0.00 0.02 0.00 0.00 55.97 55.90 2pnr s LYS 97 Cb 0.44 -2.96 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 2pnr s LYS 97 CO -0.01 0.55 0.53 0.45 -0.92 0.00 0.00 175.35 175.95 2pnr s SER 98 N -2.32 6.63 0.62 2.83 0.15 -1.26 -4.94 113.70 115.41 2pnr s SER 98 Ca 0.36 0.75 0.39 0.00 0.70 0.00 0.00 55.95 58.15 2pnr s SER 98 Cb -0.13 -2.30 2.06 0.00 -1.71 0.00 0.00 66.02 63.94 2pnr s SER 98 CO 0.24 -0.14 2.25 1.55 1.20 0.00 0.00 173.24 178.35 2pnr h PRO 99 N 7.23 0.00 -0.74 5.44 0.13 -1.98 -3.11 132.00 138.97 2pnr h PRO 99 Ca -0.36 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.93 2pnr h PRO 99 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 2pnr h PRO 99 CO 0.75 0.01 -0.09 0.93 -0.23 0.00 0.00 178.00 179.37 2pnr h GLU 100 N 0.00 0.04 -6.43 0.86 4.39 -1.99 -3.38 114.58 108.07 2pnr h GLU 100 Ca -0.00 -0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 2pnr h GLU 100 Cb 0.14 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2pnr h GLU 100 CO 0.00 0.03 0.74 0.34 -1.16 0.00 0.00 179.01 178.96 2pnr s ASP 101 N -5.21 6.91 0.36 1.42 2.15 -1.18 -4.89 116.67 116.23 2pnr s ASP 101 Ca -0.14 2.12 0.04 0.00 0.43 0.00 0.00 52.55 55.00 2pnr s ASP 101 Cb 0.22 -2.57 0.71 0.00 -0.30 0.00 0.00 42.92 40.97 2pnr s ASP 101 CO 0.75 -0.64 2.00 1.55 -0.17 0.00 0.00 175.17 178.66 2pnr h PRO 102 N 7.34 0.75 -0.70 4.34 0.13 -1.91 -2.80 132.00 139.15 2pnr h PRO 102 Ca -0.39 -0.05 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 2pnr h PRO 102 Cb 1.19 -0.17 -0.08 0.00 0.13 0.00 0.00 31.00 32.07 2pnr h PRO 102 CO 0.87 0.50 0.27 0.37 -0.23 0.00 0.00 178.00 179.78 2pnr h GLN 103 N 0.78 0.43 -0.12 0.86 5.75 -1.90 -1.13 115.11 119.78 2pnr h GLN 103 Ca 0.24 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.76 2pnr h GLN 103 Cb 0.02 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.41 2pnr h GLN 103 CO -0.06 0.28 -0.35 0.28 -2.65 0.00 0.00 178.83 176.33 2pnr h VAL 104 N 0.44 0.25 -0.71 2.39 2.07 -1.80 -1.06 116.25 117.82 2pnr h VAL 104 Ca 0.37 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.08 2pnr h VAL 104 Cb 0.51 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2pnr h VAL 104 CO -0.36 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 177.66 2pnr h LEU 105 N -0.43 0.07 0.20 2.57 4.07 -1.31 0.28 115.31 120.75 2pnr h LEU 105 Ca 0.09 0.01 -0.31 0.00 0.08 0.00 0.00 57.88 57.74 2pnr h LEU 105 Cb 0.57 -0.01 0.03 0.00 1.08 0.00 0.00 40.66 42.34 2pnr h LEU 105 CO -0.36 0.03 -1.34 0.44 -1.08 0.00 0.00 178.44 176.13 2pnr h ASP 106 N 0.07 0.84 -0.32 -0.43 5.19 -0.63 -2.65 116.42 118.49 2pnr h ASP 106 Ca 0.34 -0.89 -0.04 0.00 -0.62 0.00 0.00 57.03 55.83 2pnr h ASP 106 Cb 1.25 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 2pnr h ASP 106 CO -0.03 1.65 0.05 0.78 -3.12 0.00 0.00 179.24 178.57 2pnr h ASN 107 N 0.15 0.51 -0.56 6.45 -0.26 -0.12 -2.44 115.58 119.31 2pnr h ASN 107 Ca -0.22 -0.26 0.02 0.00 -0.56 0.00 0.00 56.30 55.27 2pnr h ASN 107 Cb 2.04 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 39.13 2pnr h ASN 107 CO 0.25 0.64 0.35 0.15 -1.06 0.00 0.00 177.43 177.76 2pnr h PHE 108 N 0.35 0.66 -0.21 1.19 3.57 -0.60 -0.93 116.94 120.97 2pnr h PHE 108 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 2pnr h PHE 108 Cb 0.35 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2pnr h PHE 108 CO 0.02 0.39 0.15 1.25 -2.23 0.00 0.00 178.31 177.89 2pnr h LEU 109 N 0.70 0.07 0.17 0.59 5.85 -1.26 -1.50 115.31 119.94 2pnr h LEU 109 Ca 0.22 -0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.62 2pnr h LEU 109 Cb -0.02 -0.02 0.03 0.00 0.37 0.00 0.00 40.66 41.03 2pnr h LEU 109 CO -0.08 0.05 -1.34 1.56 -0.34 0.00 0.00 178.44 178.29 2pnr h GLN 110 N 0.08 0.60 -0.96 1.25 4.20 -0.79 -2.76 115.11 116.74 2pnr h GLN 110 Ca 0.09 -0.88 0.03 0.00 0.06 0.00 0.00 58.65 57.95 2pnr h GLN 110 Cb 0.27 0.30 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 2pnr h GLN 110 CO -0.01 1.41 0.63 0.28 -0.67 0.00 0.00 178.83 180.47 2pnr h VAL 111 N 0.23 1.20 -0.21 -0.54 2.07 -0.44 0.52 116.25 119.08 2pnr h VAL 111 Ca -0.22 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2pnr h VAL 111 Cb 2.02 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2pnr h VAL 111 CO 0.25 0.23 0.12 -0.07 0.02 0.00 0.00 177.57 178.12 2pnr h LEU 112 N 1.24 0.27 -1.65 2.57 3.38 -1.34 0.14 115.31 119.91 2pnr h LEU 112 Ca 0.37 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.33 2pnr h LEU 112 Cb -0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2pnr h LEU 112 CO -0.10 0.27 0.35 0.40 0.09 0.00 0.00 178.44 179.44 2pnr h ILE 113 N 0.24 0.96 -0.06 1.22 2.04 -1.04 0.15 117.51 121.01 2pnr h ILE 113 Ca 0.08 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 2pnr h ILE 113 Cb 0.06 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 2pnr h ILE 113 CO -0.01 0.08 -0.38 0.50 0.00 0.00 0.00 178.15 178.34 2pnr h LYS 114 N 0.42 0.37 0.00 2.37 3.64 -0.08 -2.85 116.57 120.44 2pnr h LYS 114 Ca 0.23 -0.31 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 2pnr h LYS 114 Cb 0.36 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 2pnr h LYS 114 CO -0.06 0.96 -0.58 -0.39 -2.27 0.00 0.00 179.45 177.11 2pnr h VAL 115 N -0.13 1.31 -0.76 2.00 -1.51 -0.46 -1.57 116.25 115.15 2pnr h VAL 115 Ca -0.03 -2.05 0.01 0.00 -1.23 0.00 0.00 66.70 63.39 2pnr h VAL 115 Cb 1.04 2.14 -0.04 0.00 -2.13 0.00 0.00 31.29 32.30 2pnr h VAL 115 CO 0.08 0.57 0.50 -0.09 -1.23 0.00 0.00 177.57 177.40 2pnr h ARG 116 N 0.00 1.00 0.00 5.19 1.12 -0.70 -1.87 114.38 119.12 2pnr h ARG 116 Ca -0.01 -0.06 -0.21 0.00 -1.11 0.00 0.00 59.98 58.59 2pnr h ARG 116 Cb 1.09 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 30.80 2pnr h ARG 116 CO 0.08 0.66 -1.01 -0.91 -3.11 0.00 0.00 179.97 175.67 2pnr h ASN 117 N 1.03 0.00 0.23 -3.80 2.35 -1.34 -3.05 115.58 111.00 2pnr h ASN 117 Ca 0.28 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 2pnr h ASN 117 Cb -0.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2pnr h ASN 117 CO -0.06 0.98 -0.26 0.03 -1.65 0.00 0.00 177.43 176.47 2pnr h ARG 118 N 0.00 0.06 -0.78 0.81 3.08 -0.96 -3.14 114.38 113.45 2pnr h ARG 118 Ca -0.02 -0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.47 2pnr h ARG 118 Cb 1.77 -0.01 -0.35 0.00 0.08 0.00 0.00 29.97 31.46 2pnr h ARG 118 CO 0.13 0.32 -0.22 0.72 -1.07 0.00 0.00 179.97 179.85 2pnr n HIS 119 N -4.21 2.70 -2.43 3.04 8.25 -0.73 -5.01 115.22 116.83 2pnr n HIS 119 Ca -0.02 -2.40 -0.31 0.00 -0.26 0.00 0.00 57.72 54.73 2pnr n HIS 119 Cb 0.33 -0.70 -0.02 0.00 1.12 0.00 0.00 29.99 30.72 2pnr n HIS 119 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2pnr s ASN 120 N -2.94 6.50 0.00 0.41 2.20 -1.16 -4.97 114.94 114.98 2pnr s ASN 120 Ca 0.54 1.39 0.14 0.00 -0.94 0.00 0.00 52.86 53.99 2pnr s ASN 120 Cb 0.44 -2.44 0.27 0.00 -2.00 0.00 0.00 41.25 37.53 2pnr s ASN 120 CO 0.02 -0.59 1.17 0.47 -2.94 0.00 0.00 177.10 175.23 2pnr n ASP 121 N -1.77 2.77 0.01 3.54 10.43 -1.26 -4.27 116.55 126.00 2pnr n ASP 121 Ca 0.05 -1.82 -0.03 0.00 2.57 0.00 0.00 54.79 55.55 2pnr n ASP 121 Cb 0.54 -0.17 0.21 0.00 1.84 0.00 0.00 41.12 43.54 2pnr n ASP 121 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 2pnr h VAL 122 N 2.74 1.26 -3.57 2.53 2.07 -1.99 -3.34 116.25 115.95 2pnr h VAL 122 Ca 0.00 -1.22 -0.77 0.00 0.82 0.00 0.00 66.70 65.54 2pnr h VAL 122 Cb 0.72 1.30 -0.27 0.00 -1.52 0.00 0.00 31.29 31.52 2pnr h VAL 122 CO 0.00 0.39 -0.07 -0.69 0.02 0.00 0.00 177.57 177.22 2pnr s VAL 123 N -4.55 5.18 -0.90 2.57 1.01 -1.26 -5.04 120.40 117.41 2pnr s VAL 123 Ca -0.07 -2.23 -0.25 0.00 0.00 0.00 0.00 61.98 59.43 2pnr s VAL 123 Cb 0.14 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 2pnr s VAL 123 CO 0.79 -0.95 2.12 -2.84 0.00 0.00 0.00 175.10 174.21 2pnr s PRO 124 N 0.59 2.14 -0.02 2.72 0.02 -1.26 -4.81 135.00 134.38 2pnr s PRO 124 Ca 0.13 -0.10 -0.00 0.00 0.02 0.00 0.00 61.00 61.05 2pnr s PRO 124 Cb -0.17 -4.98 -0.00 0.00 0.02 0.00 0.00 34.50 29.37 2pnr s PRO 124 CO -0.05 -3.92 -0.01 1.15 -0.33 0.00 0.00 177.00 173.84 2pnr h THR 125 N 7.29 0.00 -0.90 0.99 2.02 -1.93 -3.30 112.91 117.08 2pnr h THR 125 Ca 0.07 -0.18 0.19 0.00 0.77 0.00 0.00 66.41 67.26 2pnr h THR 125 Cb 1.00 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 67.24 2pnr h THR 125 CO 1.13 0.00 -0.17 -0.03 0.37 0.00 0.00 175.52 176.81 2pnr h MET 126 N -0.18 0.01 -0.40 6.66 1.85 -1.87 0.28 114.93 121.26 2pnr h MET 126 Ca 0.00 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 2pnr h MET 126 Cb 0.02 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 2pnr h MET 126 CO 0.00 0.01 0.22 0.00 -0.40 0.00 0.00 176.91 176.73 2pnr h ALA 127 N 1.90 0.52 0.00 0.39 0.00 -1.97 -2.16 119.26 117.94 2pnr h ALA 127 Ca 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2pnr h ALA 127 Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pnr h ALA 127 CO -0.91 0.05 -0.05 0.37 0.00 0.00 0.00 179.25 178.71 2pnr h GLN 128 N 0.52 0.00 0.00 0.00 5.75 -1.05 -0.58 115.11 119.75 2pnr h GLN 128 Ca 0.14 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 2pnr h GLN 128 Cb 0.07 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 2pnr h GLN 128 CO -0.02 0.05 -0.14 0.78 -2.65 0.00 0.00 178.83 176.85 2pnr h GLY 129 N 0.24 0.00 1.19 2.39 0.00 -0.66 -2.18 103.07 104.06 2pnr h GLY 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pnr h GLY 129 CO 0.01 0.00 -0.25 -0.62 0.00 0.00 0.00 176.54 175.67 2pnr n VAL 130 N -3.28 0.00 0.00 4.60 0.31 -0.24 -3.38 118.33 116.34 2pnr n VAL 130 Ca 0.00 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 2pnr n VAL 130 Cb 0.39 -0.02 -0.14 0.00 -0.91 0.00 0.00 33.84 33.16 2pnr n VAL 130 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2pnr h ILE 131 N 0.22 0.90 -0.10 2.52 2.04 -1.26 -3.19 117.51 118.65 2pnr h ILE 131 Ca 0.00 -2.68 0.03 0.00 1.00 0.00 0.00 64.86 63.20 2pnr h ILE 131 Cb 0.47 2.51 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2pnr h ILE 131 CO 0.00 0.66 0.20 -0.33 0.00 0.00 0.00 178.15 178.68 2pnr h GLU 132 N 0.03 0.00 0.00 2.37 5.08 -1.51 1.29 114.58 121.84 2pnr h GLU 132 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2pnr h GLU 132 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2pnr h GLU 132 CO 0.10 0.00 0.00 0.98 -1.00 0.00 0.00 179.01 179.09 2pnr n TYR 133 N -3.35 0.00 0.29 4.33 4.19 -1.20 -1.74 117.16 119.67 2pnr n TYR 133 Ca -0.00 0.00 0.19 0.00 3.31 0.00 0.00 57.90 61.40 2pnr n TYR 133 Cb 0.29 -0.03 1.00 0.00 0.49 0.00 0.00 39.34 41.10 2pnr n TYR 133 CO 0.00 0.00 0.00 1.57 0.91 0.00 0.00 176.86 179.34 2pnr h LYS 134 N 0.00 0.00 -5.46 2.98 2.10 0.15 -3.34 116.57 113.00 2pnr h LYS 134 Ca 0.00 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 2pnr h LYS 134 Cb 0.01 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.23 2pnr h LYS 134 CO 0.00 0.00 -0.14 -1.21 -2.00 0.00 0.00 179.45 176.10 2pnr s GLU 135 N -3.94 4.18 0.00 0.07 2.02 -0.71 -5.18 118.70 115.13 2pnr s GLU 135 Ca -0.04 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.23 2pnr s GLU 135 Cb 0.11 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.79 2pnr s GLU 135 CO 0.36 -0.09 0.00 1.63 0.02 0.00 0.00 175.26 177.18 2pnr n LYS 136 N 4.61 0.00 -3.43 1.61 5.02 -1.26 -5.03 118.16 119.68 2pnr n LYS 136 Ca -0.07 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.95 2pnr n LYS 136 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.43 2pnr n LYS 136 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2pnr n SER 144 N 0.00 2.92 -3.82 4.39 2.88 -1.26 -5.05 113.62 113.68 2pnr n SER 144 Ca 0.00 -3.26 -0.31 0.00 -1.33 0.00 0.00 58.87 53.98 2pnr n SER 144 Cb 0.00 -0.67 0.01 0.00 -0.75 0.00 0.00 64.21 62.80 2pnr n SER 144 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2pnr n THR 145 N 1.13 -2.36 0.61 2.46 -2.24 -1.26 -4.77 114.28 107.85 2pnr n THR 145 Ca 0.27 -0.26 0.06 0.00 -2.27 0.00 0.00 64.05 61.85 2pnr n THR 145 Cb 0.43 -2.06 -0.04 0.00 -2.10 0.00 0.00 70.33 66.56 2pnr n THR 145 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pnr n ASN 146 N -1.81 0.98 -0.03 3.42 0.23 -1.26 -4.09 115.26 112.71 2pnr n ASN 146 Ca -0.17 -0.99 -0.14 0.00 -0.53 0.00 0.00 54.58 52.74 2pnr n ASN 146 Cb 0.51 0.77 -0.03 0.00 -2.08 0.00 0.00 39.78 38.95 2pnr n ASN 146 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2pnr h ILE 147 N 0.66 1.29 -0.55 1.53 5.03 -1.96 -3.14 117.51 120.37 2pnr h ILE 147 Ca 0.00 -1.86 0.11 0.00 -0.12 0.00 0.00 64.86 62.98 2pnr h ILE 147 Cb 0.38 1.82 -0.11 0.00 -3.03 0.00 0.00 36.82 35.87 2pnr h ILE 147 CO 0.00 0.59 -0.23 -0.61 -0.68 0.00 0.00 178.15 177.22 2pnr h GLN 148 N 0.55 -0.09 0.74 2.37 5.75 -1.94 -1.65 115.11 120.84 2pnr h GLN 148 Ca -0.01 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2pnr h GLN 148 Cb 1.25 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 2pnr h GLN 148 CO 0.13 -0.06 -0.47 -0.92 -2.65 0.00 0.00 178.83 174.86 2pnr h TYR 149 N -0.10 -1.25 -0.41 3.99 3.20 -1.81 -2.54 116.97 118.05 2pnr h TYR 149 Ca 0.25 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.19 2pnr h TYR 149 Cb 0.49 0.45 -0.09 0.00 1.54 0.00 0.00 36.73 39.12 2pnr h TYR 149 CO -0.53 -0.70 -0.36 0.35 -1.64 0.00 0.00 178.16 175.28 2pnr h PHE 150 N -1.14 -1.03 -0.45 -3.82 3.57 -1.41 -2.34 116.94 110.32 2pnr h PHE 150 Ca -0.10 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2pnr h PHE 150 Cb 0.92 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 2pnr h PHE 150 CO -0.11 -0.41 0.15 -0.07 -2.23 0.00 0.00 178.31 175.64 2pnr h LEU 151 N -0.28 0.60 -1.12 0.59 3.38 -1.32 0.27 115.31 117.42 2pnr h LEU 151 Ca 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2pnr h LEU 151 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2pnr h LEU 151 CO -0.56 0.57 0.14 0.44 0.09 0.00 0.00 178.44 179.12 2pnr h ASP 152 N 0.64 0.70 0.43 -0.43 3.45 -0.98 0.22 116.42 120.45 2pnr h ASP 152 Ca 0.15 -0.11 -0.31 0.00 0.43 0.00 0.00 57.03 57.19 2pnr h ASP 152 Cb 0.18 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2pnr h ASP 152 CO -0.01 0.68 -1.56 0.03 -1.57 0.00 0.00 179.24 176.81 2pnr h ARG 153 N 0.74 0.25 0.63 3.56 3.08 -1.08 -2.56 114.38 119.01 2pnr h ARG 153 Ca 0.17 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 2pnr h ARG 153 Cb 0.25 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 2pnr h ARG 153 CO -0.01 1.11 -0.39 0.35 -1.07 0.00 0.00 179.97 179.97 2pnr h PHE 154 N 0.07 -1.03 -0.35 3.04 3.57 -0.22 -2.38 116.94 119.63 2pnr h PHE 154 Ca -0.26 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 2pnr h PHE 154 Cb 2.02 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 41.11 2pnr h PHE 154 CO 0.06 -0.59 -0.01 1.88 -2.23 0.00 0.00 178.31 177.42 2pnr h TYR 155 N -0.96 0.57 0.00 0.41 0.05 -0.70 -2.39 116.97 113.95 2pnr h TYR 155 Ca -0.08 -0.06 -0.05 0.00 0.05 0.00 0.00 58.73 58.59 2pnr h TYR 155 Cb 0.78 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 2pnr h TYR 155 CO -0.10 0.57 -0.25 1.15 -1.05 0.00 0.00 178.16 178.48 2pnr h THR 156 N 0.53 0.80 -0.04 -2.88 2.02 -1.35 -2.43 112.91 109.56 2pnr h THR 156 Ca 0.11 -1.03 -0.20 0.00 0.77 0.00 0.00 66.41 66.07 2pnr h THR 156 Cb 0.36 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2pnr h THR 156 CO 0.01 0.25 -0.80 -1.13 0.37 0.00 0.00 175.52 174.22 2pnr h ASN 157 N 0.00 0.45 0.14 4.18 -1.24 -0.91 -2.87 115.58 115.32 2pnr h ASN 157 Ca -0.00 -0.32 -0.14 0.00 0.71 0.00 0.00 56.30 56.55 2pnr h ASN 157 Cb 0.60 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 2pnr h ASN 157 CO 0.03 1.08 -0.49 0.03 -1.29 0.00 0.00 177.43 176.79 2pnr h ARG 158 N 0.23 0.41 -0.82 6.67 2.47 -1.27 -0.40 114.38 121.68 2pnr h ARG 158 Ca -0.04 -0.24 0.02 0.00 -1.26 0.00 0.00 59.98 58.46 2pnr h ARG 158 Cb 1.40 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.70 2pnr h ARG 158 CO 0.13 0.81 0.54 0.82 0.56 0.00 0.00 179.97 182.84 2pnr h ILE 159 N 0.33 1.18 -0.17 2.04 2.04 -1.39 -1.43 117.51 120.11 2pnr h ILE 159 Ca 0.02 -0.37 -0.15 0.00 1.00 0.00 0.00 64.86 65.36 2pnr h ILE 159 Cb 0.99 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2pnr h ILE 159 CO 0.09 0.20 -0.47 0.77 0.00 0.00 0.00 178.15 178.74 2pnr h SER 160 N 1.08 0.71 -0.09 1.72 4.64 -1.20 -1.49 113.55 118.92 2pnr h SER 160 Ca 0.31 -0.58 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 2pnr h SER 160 Cb -0.08 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.75 2pnr h SER 160 CO -0.08 1.16 -0.34 -0.26 -0.87 0.00 0.00 176.83 176.45 2pnr h PHE 161 N 0.29 -0.93 -0.02 4.77 0.05 -0.49 0.46 116.94 121.06 2pnr h PHE 161 Ca -0.01 0.04 0.02 0.00 3.82 0.00 0.00 57.97 61.84 2pnr h PHE 161 Cb 1.08 0.43 -0.02 0.00 2.00 0.00 0.00 35.95 39.43 2pnr h PHE 161 CO 0.10 -0.42 -0.09 0.00 -0.18 0.00 0.00 178.31 177.71 2pnr h ARG 162 N -0.43 -0.15 -0.75 1.51 3.08 -1.30 0.14 114.38 116.47 2pnr h ARG 162 Ca 0.08 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.30 2pnr h ARG 162 Cb 0.56 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 2pnr h ARG 162 CO -0.34 -0.10 0.24 1.98 -1.07 0.00 0.00 179.97 180.68 2pnr h MET 163 N -0.16 0.33 -0.22 0.04 4.05 -0.70 0.76 114.93 119.04 2pnr h MET 163 Ca 0.04 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.31 2pnr h MET 163 Cb 0.21 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 2pnr h MET 163 CO -0.11 0.22 -0.41 -0.07 0.23 0.00 0.00 176.91 176.77 2pnr h LEU 164 N 0.34 0.56 0.00 3.39 3.38 -0.45 -2.48 115.31 120.05 2pnr h LEU 164 Ca 0.42 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2pnr h LEU 164 Cb 0.69 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2pnr h LEU 164 CO -0.47 0.91 -0.62 0.40 0.09 0.00 0.00 178.44 178.76 2pnr h ILE 165 N 0.44 0.95 0.01 1.22 2.04 0.15 -2.97 117.51 119.34 2pnr h ILE 165 Ca 0.04 -2.36 -0.19 0.00 1.00 0.00 0.00 64.86 63.34 2pnr h ILE 165 Cb 0.91 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 2pnr h ILE 165 CO 0.08 0.54 -0.88 0.78 0.00 0.00 0.00 178.15 178.67 2pnr h ASN 166 N 0.00 0.21 -0.58 1.72 2.35 0.45 -2.03 115.58 117.70 2pnr h ASN 166 Ca -0.02 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 2pnr h ASN 166 Cb 1.45 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 2pnr h ASN 166 CO 0.07 0.98 0.06 1.56 -1.65 0.00 0.00 177.43 178.45 2pnr h GLN 167 N 0.09 1.01 -0.00 0.81 1.08 -1.42 0.01 115.11 116.68 2pnr h GLN 167 Ca -0.04 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 2pnr h GLN 167 Cb 1.51 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 2pnr h GLN 167 CO 0.13 0.96 -0.05 1.25 -0.95 0.00 0.00 178.83 180.17 2pnr h HIS 168 N 0.94 0.06 -0.46 2.96 2.76 -1.48 -2.71 115.15 117.22 2pnr h HIS 168 Ca 0.18 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.21 2pnr h HIS 168 Cb 0.47 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 2pnr h HIS 168 CO 0.03 0.77 -0.18 1.79 -1.30 0.00 0.00 177.93 179.04 2pnr h THR 169 N -0.67 1.27 -0.37 6.26 1.35 -1.39 -1.00 112.91 118.36 2pnr h THR 169 Ca -0.01 -1.31 -0.11 0.00 -0.55 0.00 0.00 66.41 64.43 2pnr h THR 169 Cb 0.78 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2pnr h THR 169 CO 0.01 0.45 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.43 2pnr h LEU 170 N 0.79 0.74 0.18 3.87 3.38 -1.09 0.19 115.31 123.36 2pnr h LEU 170 Ca 0.11 -0.26 -0.31 0.00 0.09 0.00 0.00 57.88 57.51 2pnr h LEU 170 Cb 0.72 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2pnr h LEU 170 CO 0.06 0.95 -1.43 -0.07 0.09 0.00 0.00 178.44 178.04 2pnr h LEU 171 N 0.64 0.58 -2.91 1.67 3.38 -1.38 -3.38 115.31 113.91 2pnr h LEU 171 Ca 0.09 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2pnr h LEU 171 Cb 0.72 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2pnr h LEU 171 CO 0.06 1.53 0.00 0.49 0.09 0.00 0.00 178.44 180.61 2pnr n PHE 172 N -3.59 0.15 0.22 1.13 3.72 -0.39 -4.69 117.46 114.02 2pnr n PHE 172 Ca -0.14 -0.49 0.06 0.00 -0.05 0.00 0.00 57.45 56.83 2pnr n PHE 172 Cb 1.06 -0.04 0.52 0.00 -0.94 0.00 0.00 39.48 40.08 2pnr n PHE 172 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2pnr h GLY 173 N 0.67 0.00 0.00 1.37 0.00 -0.74 -3.46 103.07 100.90 2pnr h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pnr h GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2pnr n GLY 174 N -0.88 0.76 3.60 4.60 0.00 -1.26 -4.99 105.19 107.02 2pnr n GLY 174 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2pnr n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnr s ASP 175 N -2.37 5.75 -0.00 1.61 -1.08 -1.26 -4.81 116.67 114.51 2pnr s ASP 175 Ca 0.00 1.41 0.03 0.00 -0.52 0.00 0.00 52.55 53.47 2pnr s ASP 175 Cb 0.00 -2.52 0.08 0.00 -1.46 0.00 0.00 42.92 39.02 2pnr s ASP 175 CO 0.00 -1.80 1.03 0.35 0.52 0.00 0.00 175.17 175.27 2pnr n THR 176 N 7.50 0.13 -2.83 1.71 -2.24 -1.26 -4.00 114.28 113.29 2pnr n THR 176 Ca 0.25 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.79 2pnr n THR 176 Cb 0.47 0.02 0.03 0.00 -2.10 0.00 0.00 70.33 68.75 2pnr n THR 176 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pnr n ASN 177 N -0.22 0.33 -4.59 3.42 3.02 -1.26 -5.13 115.26 110.82 2pnr n ASN 177 Ca 0.03 -2.87 -0.42 0.00 -0.03 0.00 0.00 54.58 51.30 2pnr n ASN 177 Cb 0.09 -0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.22 2pnr n ASN 177 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2pnr n PRO 178 N -0.00 1.28 -0.25 3.52 -0.02 -1.26 -4.87 135.00 133.40 2pnr n PRO 178 Ca 0.11 0.46 -0.07 0.00 -2.02 0.00 0.00 63.50 61.98 2pnr n PRO 178 Cb 0.76 -1.98 0.05 0.00 -0.02 0.00 0.00 33.50 32.31 2pnr n PRO 178 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pnr h VAL 179 N 1.50 1.26 -3.44 -1.45 2.07 -2.00 -3.35 116.25 110.84 2pnr h VAL 179 Ca -0.44 -0.90 -0.64 0.00 0.82 0.00 0.00 66.70 65.54 2pnr h VAL 179 Cb 1.34 0.52 -0.41 0.00 -1.52 0.00 0.00 31.29 31.22 2pnr h VAL 179 CO 0.57 0.35 -0.67 -1.00 0.02 0.00 0.00 177.57 176.84 2pnr s HIS 180 N -5.39 3.22 0.27 1.57 3.76 -1.26 -4.98 115.29 112.48 2pnr s HIS 180 Ca -0.12 -3.02 -0.04 0.00 -0.15 0.00 0.00 55.06 51.72 2pnr s HIS 180 Cb 0.14 -2.75 0.33 0.00 1.11 0.00 0.00 32.58 31.42 2pnr s HIS 180 CO 0.84 -0.81 1.94 -1.35 -0.85 0.00 0.00 174.74 174.50 2pnr h PRO 181 N 6.91 1.24 0.00 8.40 0.11 -1.97 -2.46 132.00 144.22 2pnr h PRO 181 Ca -0.06 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2pnr h PRO 181 Cb 0.94 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2pnr h PRO 181 CO 0.61 0.82 0.00 1.63 -0.21 0.00 0.00 178.00 180.85 2pnr n LYS 182 N -4.40 0.38 -2.35 1.05 4.01 -1.26 -4.77 118.16 110.82 2pnr n LYS 182 Ca 0.12 0.02 -0.35 0.00 -0.51 0.00 0.00 58.31 57.59 2pnr n LYS 182 Cb 0.04 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.05 2pnr n LYS 182 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2pnr s HIS 183 N -2.58 2.79 -0.77 2.13 3.76 -0.93 -4.65 115.29 115.04 2pnr s HIS 183 Ca 0.26 1.56 -0.05 0.00 -0.15 0.00 0.00 55.06 56.67 2pnr s HIS 183 Cb 0.19 -3.22 0.20 0.00 1.11 0.00 0.00 32.58 30.85 2pnr s HIS 183 CO 0.43 -1.32 0.64 0.42 -0.85 0.00 0.00 174.74 174.05 2pnr s ILE 184 N -1.82 4.42 0.00 0.60 -1.09 -0.10 -4.94 121.20 118.26 2pnr s ILE 184 Ca 0.70 -3.14 0.00 0.00 -2.23 0.00 0.00 60.65 55.98 2pnr s ILE 184 Cb -0.22 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2pnr s ILE 184 CO 0.25 -0.99 0.00 0.61 -1.23 0.00 0.00 174.94 173.59 2pnr n GLY 185 N 3.21 1.76 0.88 6.18 0.00 -1.26 -3.27 105.19 112.69 2pnr n GLY 185 Ca 0.14 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.65 2pnr n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pnr n SER 186 N 7.41 2.93 -4.71 1.61 3.41 -1.26 -4.94 113.62 118.06 2pnr n SER 186 Ca 0.00 -1.87 -0.37 0.00 -0.26 0.00 0.00 58.87 56.37 2pnr n SER 186 Cb 0.00 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 2pnr n SER 186 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pnr s ILE 187 N -1.39 5.26 -0.39 -1.33 1.01 -1.20 -4.03 121.20 119.13 2pnr s ILE 187 Ca 0.28 0.68 -0.15 0.00 0.00 0.00 0.00 60.65 61.46 2pnr s ILE 187 Cb 0.18 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.96 2pnr s ILE 187 CO 0.25 0.35 0.30 -0.62 0.00 0.00 0.00 174.94 175.21 2pnr s ASP 188 N 0.63 6.11 0.00 3.58 2.15 0.54 -0.92 116.67 128.75 2pnr s ASP 188 Ca 0.19 -0.72 0.12 0.00 0.43 0.00 0.00 52.55 52.57 2pnr s ASP 188 Cb -0.14 -2.16 0.53 0.00 -0.30 0.00 0.00 42.92 40.85 2pnr s ASP 188 CO 0.06 -0.40 1.39 -0.81 -0.17 0.00 0.00 175.17 175.24 2pnr n PRO 189 N 5.19 0.01 -3.15 4.34 -0.04 -1.26 -2.61 135.00 137.48 2pnr n PRO 189 Ca -0.11 0.28 -0.17 0.00 -0.04 0.00 0.00 63.50 63.46 2pnr n PRO 189 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 2pnr n PRO 189 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pnr n THR 190 N -1.49 -0.13 -1.95 0.52 -2.24 -1.26 -4.22 114.28 103.52 2pnr n THR 190 Ca 0.03 -4.35 -0.43 0.00 -2.27 0.00 0.00 64.05 57.03 2pnr n THR 190 Cb 0.14 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 2pnr n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnr s ASN 192 N 5.62 6.71 0.33 0.00 -0.87 -1.26 -2.37 114.94 123.10 2pnr s ASN 192 Ca 0.81 -2.13 0.10 0.00 -1.57 0.00 0.00 52.86 50.06 2pnr s ASN 192 Cb -0.27 -2.47 0.98 0.00 -0.02 0.00 0.00 41.25 39.48 2pnr s ASN 192 CO 0.33 -1.13 1.59 0.58 -2.57 0.00 0.00 177.10 175.90 2pnr h VAL 193 N 5.81 0.08 -0.97 1.60 2.07 -1.91 0.27 116.25 123.20 2pnr h VAL 193 Ca 0.24 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.82 2pnr h VAL 193 Cb 0.97 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 2pnr h VAL 193 CO 1.26 0.01 0.61 0.00 0.02 0.00 0.00 177.57 179.47 2pnr h ALA 194 N 1.95 1.38 -0.40 1.67 0.00 -1.90 0.19 119.26 122.16 2pnr h ALA 194 Ca 0.69 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.49 2pnr h ALA 194 Cb 1.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2pnr h ALA 194 CO -0.81 0.31 -0.20 -0.44 0.00 0.00 0.00 179.25 178.11 2pnr h ASP 195 N 1.05 0.78 0.26 0.00 3.32 -0.86 -0.64 116.42 120.33 2pnr h ASP 195 Ca 0.44 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 2pnr h ASP 195 Cb 0.30 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2pnr h ASP 195 CO -0.21 0.97 -0.35 0.58 -1.72 0.00 0.00 179.24 178.51 2pnr h VAL 196 N 0.68 1.27 -0.32 -1.35 2.07 -1.12 -1.91 116.25 115.58 2pnr h VAL 196 Ca 0.10 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 2pnr h VAL 196 Cb 0.71 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2pnr h VAL 196 CO 0.05 0.39 -0.21 0.58 0.02 0.00 0.00 177.57 178.40 2pnr h VAL 197 N 0.12 1.29 -0.11 2.57 2.07 -0.34 -1.14 116.25 120.71 2pnr h VAL 197 Ca 0.01 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 2pnr h VAL 197 Cb 0.68 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2pnr h VAL 197 CO 0.05 0.44 0.04 0.11 0.02 0.00 0.00 177.57 178.23 2pnr h LYS 198 N 0.47 0.17 -0.01 1.57 1.57 -0.96 -2.10 116.57 117.28 2pnr h LYS 198 Ca 0.06 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2pnr h LYS 198 Cb 0.77 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 2pnr h LYS 198 CO 0.06 0.28 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.40 2pnr h ASP 199 N 0.02 -1.16 -0.97 0.86 3.32 -1.28 1.02 116.42 118.22 2pnr h ASP 199 Ca 0.04 0.15 0.11 0.00 0.02 0.00 0.00 57.03 57.34 2pnr h ASP 199 Cb 0.18 0.46 -0.08 0.00 0.22 0.00 0.00 39.33 40.11 2pnr h ASP 199 CO -0.00 -0.43 0.62 0.00 -1.72 0.00 0.00 179.24 177.70 2pnr h ALA 200 N 0.08 1.56 -0.06 3.45 0.00 -1.17 -0.02 119.26 123.10 2pnr h ALA 200 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2pnr h ALA 200 Cb 0.62 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pnr h ALA 200 CO -0.30 0.21 -0.09 -0.92 0.00 0.00 0.00 179.25 178.15 2pnr h TYR 201 N 0.96 0.21 -0.97 0.00 3.20 -0.60 -1.28 116.97 118.50 2pnr h TYR 201 Ca 0.47 -0.07 0.12 0.00 3.14 0.00 0.00 58.73 62.39 2pnr h TYR 201 Cb 0.46 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.61 2pnr h TYR 201 CO -0.00 0.66 0.59 0.93 -1.64 0.00 0.00 178.16 178.70 2pnr h GLU 202 N -0.30 0.90 0.00 1.82 4.39 0.18 0.68 114.58 122.24 2pnr h GLU 202 Ca 0.01 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 2pnr h GLU 202 Cb 0.64 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2pnr h GLU 202 CO 0.02 0.59 -0.66 1.79 -1.16 0.00 0.00 179.01 179.59 2pnr h THR 203 N 0.92 1.20 0.02 1.13 1.35 -0.97 -1.58 112.91 114.99 2pnr h THR 203 Ca 0.49 -2.51 -0.00 0.00 -0.55 0.00 0.00 66.41 63.84 2pnr h THR 203 Cb 0.51 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 2pnr h THR 203 CO -0.28 0.65 -0.01 0.00 -0.25 0.00 0.00 175.52 175.63 2pnr h ALA 204 N 1.34 -0.03 -0.91 6.62 0.00 -0.08 -2.68 119.26 123.53 2pnr h ALA 204 Ca -0.01 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 54.77 2pnr h ALA 204 Cb 1.41 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.12 2pnr h ALA 204 CO 0.09 -0.21 0.50 -0.22 0.00 0.00 0.00 179.25 179.41 2pnr h LYS 205 N -0.64 0.67 0.07 0.00 3.64 0.31 -0.35 116.57 120.27 2pnr h LYS 205 Ca -0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2pnr h LYS 205 Cb 0.60 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2pnr h LYS 205 CO 0.00 0.45 -0.05 1.98 -2.27 0.00 0.00 179.45 179.56 2pnr h MET 206 N 0.69 -0.12 0.00 1.90 4.05 -1.25 -1.41 114.93 118.80 2pnr h MET 206 Ca 0.50 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.93 2pnr h MET 206 Cb 0.72 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2pnr h MET 206 CO -0.36 -0.08 0.00 -0.11 0.23 0.00 0.00 176.91 176.59 2pnr n LEU 207 N -5.15 0.30 -0.06 3.39 0.00 -0.24 -2.83 117.00 112.40 2pnr n LEU 207 Ca -0.07 0.62 -0.04 0.00 0.00 0.00 0.00 56.01 56.51 2pnr n LEU 207 Cb 0.08 -0.63 -0.01 0.00 0.00 0.00 0.00 43.42 42.86 2pnr n LEU 207 CO 0.33 -0.64 -0.30 0.00 0.00 0.00 0.00 177.39 176.78 2pnr n GLU 209 N -4.42 0.00 0.14 0.00 4.07 -0.61 0.12 120.64 119.95 2pnr n GLU 209 Ca -0.06 0.99 0.13 0.00 -0.06 0.00 0.00 57.16 58.15 2pnr n GLU 209 Cb 0.23 -2.34 0.48 0.00 -0.06 0.00 0.00 31.44 29.75 2pnr n GLU 209 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2pnr h GLN 210 N 0.00 0.00 0.00 5.31 4.15 -1.69 0.20 115.11 123.07 2pnr h GLN 210 Ca 0.73 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.15 2pnr h GLN 210 Cb 3.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.95 2pnr h GLN 210 CO -0.01 0.00 -0.16 0.66 -1.93 0.00 0.00 178.83 177.40 2pnr n TYR 211 N -2.35 0.00 -0.03 3.99 4.02 0.31 -4.84 117.16 118.26 2pnr n TYR 211 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2pnr n TYR 211 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 2pnr n TYR 211 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pnr n TYR 212 N -0.39 0.00 -2.71 -0.72 4.01 -0.07 -5.04 117.16 112.24 2pnr n TYR 212 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 2pnr n TYR 212 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2pnr n TYR 212 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pnr n LEU 213 N -0.60 -1.13 0.00 7.72 4.77 0.69 -4.80 117.00 123.65 2pnr n LEU 213 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2pnr n LEU 213 Cb 0.01 -2.01 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 2pnr n LEU 213 CO 0.00 -0.03 0.00 0.52 -1.33 0.00 0.00 177.39 176.55 2pnr n VAL 214 N -3.44 0.00 -4.28 4.08 0.31 -1.26 -4.97 118.33 108.77 2pnr n VAL 214 Ca -0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 63.98 2pnr n VAL 214 Cb 0.58 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.43 2pnr n VAL 214 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pnr s ALA 215 N 0.00 3.41 0.59 3.52 0.00 -1.26 -4.86 121.76 123.16 2pnr s ALA 215 Ca 0.00 -2.11 -0.19 0.00 0.00 0.00 0.00 51.96 49.66 2pnr s ALA 215 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 2pnr s ALA 215 CO 0.00 -0.10 1.26 -2.14 0.00 0.00 0.00 175.76 174.78 2pnr s PRO 216 N -3.82 2.92 0.95 0.00 0.02 -1.26 -4.94 135.00 128.86 2pnr s PRO 216 Ca 0.38 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 63.24 2pnr s PRO 216 Cb 0.04 -1.99 0.16 0.00 0.02 0.00 0.00 34.50 32.73 2pnr s PRO 216 CO 0.21 -1.29 1.14 -1.21 -0.33 0.00 0.00 177.00 175.52 2pnr s GLU 217 N -3.23 0.84 -0.16 5.54 2.02 -1.26 -4.77 118.70 117.67 2pnr s GLU 217 Ca 0.77 0.24 -0.00 0.00 0.02 0.00 0.00 54.97 56.01 2pnr s GLU 217 Cb -0.34 -1.81 -0.00 0.00 0.10 0.00 0.00 34.13 32.08 2pnr s GLU 217 CO 0.38 -2.39 -0.14 -1.17 0.02 0.00 0.00 175.26 171.95 2pnr s LEU 218 N -6.15 2.50 -0.11 1.80 2.96 -1.26 -1.11 118.68 117.31 2pnr s LEU 218 Ca 0.65 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2pnr s LEU 218 Cb -0.14 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2pnr s LEU 218 CO 0.54 0.07 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.99 2pnr s GLU 219 N 0.89 3.20 0.00 1.98 2.02 -0.95 -4.97 118.70 120.87 2pnr s GLU 219 Ca -0.04 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.46 2pnr s GLU 219 Cb -0.15 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.31 2pnr s GLU 219 CO -0.01 0.48 -0.07 0.08 0.02 0.00 0.00 175.26 175.76 2pnr s VAL 220 N -0.29 0.54 -0.05 2.63 1.01 -1.26 -0.64 120.40 122.33 2pnr s VAL 220 Ca 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2pnr s VAL 220 Cb -0.13 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2pnr s VAL 220 CO 0.02 0.10 0.14 -1.61 0.00 0.00 0.00 175.10 173.75 2pnr s GLU 221 N -0.30 0.13 0.32 2.72 0.41 -0.77 -4.99 118.70 116.22 2pnr s GLU 221 Ca 0.02 0.25 0.10 0.00 -0.41 0.00 0.00 54.97 54.92 2pnr s GLU 221 Cb -0.03 -0.01 -0.05 0.00 -1.78 0.00 0.00 34.13 32.26 2pnr s GLU 221 CO -0.00 -0.07 -0.05 -1.21 -0.49 0.00 0.00 175.26 173.44 2pnr s GLU 222 N 0.43 2.00 -0.32 1.61 2.02 -1.26 -0.72 118.70 122.46 2pnr s GLU 222 Ca -0.03 -1.72 0.03 0.00 0.02 0.00 0.00 54.97 53.27 2pnr s GLU 222 Cb -0.04 -1.91 0.17 0.00 0.10 0.00 0.00 34.13 32.45 2pnr s GLU 222 CO -0.02 0.21 0.45 0.12 0.02 0.00 0.00 175.26 176.04 2pnr s PHE 223 N -2.50 -1.02 -0.77 1.61 2.19 0.02 -4.90 117.98 112.61 2pnr s PHE 223 Ca 0.33 0.13 -0.26 0.00 0.33 0.00 0.00 56.93 57.45 2pnr s PHE 223 Cb -0.02 -0.11 0.03 0.00 -1.31 0.00 0.00 43.02 41.61 2pnr s PHE 223 CO 0.18 -1.02 1.37 1.21 1.83 0.00 0.00 175.22 178.80 2pnr s ASN 224 N 2.24 6.11 0.53 6.13 3.84 -1.26 -2.88 114.94 129.65 2pnr s ASN 224 Ca 0.12 -0.53 0.28 0.00 0.21 0.00 0.00 52.86 52.94 2pnr s ASN 224 Cb -0.12 -2.56 1.52 0.00 -0.55 0.00 0.00 41.25 39.54 2pnr s ASN 224 CO -0.21 -1.86 2.10 0.00 -2.79 0.00 0.00 177.10 174.34 2pnr h ALA 225 N 10.50 1.30 0.00 1.71 0.00 -1.72 0.64 119.26 131.68 2pnr h ALA 225 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2pnr h ALA 225 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pnr h ALA 225 CO 1.30 0.12 0.00 -0.22 0.00 0.00 0.00 179.25 180.45 2pnr h LYS 226 N 0.00 0.00 0.00 0.00 3.64 -1.87 -3.41 116.57 114.93 2pnr h LYS 226 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pnr h LYS 226 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2pnr h LYS 226 CO 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 2pnr n ALA 227 N -1.95 0.00 -0.01 5.00 0.00 -1.01 -5.05 120.51 117.49 2pnr n ALA 227 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.51 2pnr n ALA 227 Cb 0.41 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.91 2pnr n ALA 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pnr n PRO 228 N 0.00 0.00 -0.00 0.00 -0.04 0.22 -0.53 135.00 134.65 2pnr n PRO 228 Ca 0.00 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.60 2pnr n PRO 228 Cb 0.00 -0.41 -0.01 0.00 -0.04 0.00 0.00 33.50 33.04 2pnr n PRO 228 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2pnr h ASP 229 N 0.00 -0.10 -2.49 3.54 3.32 -1.97 -3.40 116.42 115.32 2pnr h ASP 229 Ca 0.06 -0.02 -0.60 0.00 0.02 0.00 0.00 57.03 56.49 2pnr h ASP 229 Cb 0.43 0.03 0.08 0.00 0.22 0.00 0.00 39.33 40.08 2pnr h ASP 229 CO -0.00 0.40 0.57 0.29 -1.72 0.00 0.00 179.24 178.77 2pnr n LYS 230 N -4.85 1.87 -2.42 3.56 5.02 0.31 -4.95 118.16 116.69 2pnr n LYS 230 Ca -0.02 0.67 -0.38 0.00 -2.02 0.00 0.00 58.31 56.56 2pnr n LYS 230 Cb 0.06 -2.30 -0.03 0.00 -0.02 0.00 0.00 35.03 32.73 2pnr n LYS 230 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pnr s PRO 231 N -0.27 4.28 0.12 1.97 0.04 -1.26 -4.62 135.00 135.27 2pnr s PRO 231 Ca 0.70 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 2pnr s PRO 231 Cb -0.69 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 30.95 2pnr s PRO 231 CO 0.49 -0.09 1.48 0.42 0.04 0.00 0.00 177.00 179.34 2pnr s ILE 232 N -1.40 3.05 0.42 0.56 1.01 -1.26 -5.00 121.20 118.58 2pnr s ILE 232 Ca 0.53 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.94 2pnr s ILE 232 Cb -0.29 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2pnr s ILE 232 CO 0.36 0.05 0.13 -1.10 0.00 0.00 0.00 174.94 174.38 2pnr s GLN 233 N 1.33 1.98 0.00 2.79 -0.21 -1.26 -3.41 119.66 120.88 2pnr s GLN 233 Ca 0.67 -2.22 0.00 0.00 0.02 0.00 0.00 55.36 53.84 2pnr s GLN 233 Cb -0.39 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 32.95 2pnr s GLN 233 CO 0.31 -0.49 0.00 1.55 -2.12 0.00 0.00 175.29 174.53 2pnr n VAL 234 N -0.96 0.00 -2.58 1.09 3.14 -1.00 -4.92 118.33 113.10 2pnr n VAL 234 Ca -0.07 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.88 2pnr n VAL 234 Cb 0.65 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.40 2pnr n VAL 234 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2pnr s VAL 235 N -1.98 4.55 0.20 1.55 1.01 -1.26 -1.47 120.40 122.99 2pnr s VAL 235 Ca 0.00 1.84 -0.22 0.00 0.00 0.00 0.00 61.98 63.60 2pnr s VAL 235 Cb 0.00 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.26 2pnr s VAL 235 CO 0.00 -0.04 0.98 -0.47 0.00 0.00 0.00 175.10 175.57 2pnr s TYR 236 N 2.41 0.01 -0.49 5.22 5.04 -1.07 -4.80 117.35 123.65 2pnr s TYR 236 Ca 0.51 -0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 54.56 2pnr s TYR 236 Cb -0.20 0.70 0.07 0.00 0.35 0.00 0.00 41.96 42.88 2pnr s TYR 236 CO 0.17 -0.96 0.49 0.08 -1.34 0.00 0.00 175.55 173.99 2pnr s VAL 237 N -2.59 5.09 0.18 3.14 1.01 -1.26 -0.34 120.40 125.64 2pnr s VAL 237 Ca 0.18 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 2pnr s VAL 237 Cb -0.02 -4.22 0.12 0.00 0.00 0.00 0.00 36.38 32.26 2pnr s VAL 237 CO 0.05 -0.70 1.67 -0.65 0.00 0.00 0.00 175.10 175.47 2pnr h PRO 238 N 8.87 0.05 -0.34 2.72 0.11 -1.92 -1.93 132.00 139.55 2pnr h PRO 238 Ca -0.28 -0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.92 2pnr h PRO 238 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2pnr h PRO 238 CO 0.93 0.03 0.28 0.66 -0.21 0.00 0.00 178.00 179.70 2pnr h SER 239 N 0.05 0.00 0.24 -2.05 4.64 -1.94 0.82 113.55 115.31 2pnr h SER 239 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2pnr h SER 239 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2pnr h SER 239 CO -0.43 0.00 -0.12 0.45 -0.87 0.00 0.00 176.83 175.86 2pnr h HIS 240 N 0.00 -0.30 -0.23 4.77 3.86 -1.74 -2.75 115.15 118.77 2pnr h HIS 240 Ca 0.16 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.43 2pnr h HIS 240 Cb 0.73 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 2pnr h HIS 240 CO 0.00 0.06 0.26 1.25 0.86 0.00 0.00 177.93 180.36 2pnr h LEU 241 N -0.92 0.00 -0.10 2.43 5.85 -1.10 -1.36 115.31 120.11 2pnr h LEU 241 Ca -0.03 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 2pnr h LEU 241 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2pnr h LEU 241 CO 0.05 0.00 -0.32 0.15 -0.34 0.00 0.00 178.44 177.98 2pnr h PHE 242 N 0.00 0.52 -0.83 1.25 3.57 -0.81 -2.08 116.94 118.56 2pnr h PHE 242 Ca 0.11 -0.21 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2pnr h PHE 242 Cb 0.64 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 2pnr h PHE 242 CO 0.00 0.94 0.45 0.45 -2.23 0.00 0.00 178.31 177.92 2pnr h HIS 243 N -0.05 1.15 0.20 0.41 3.86 -0.95 0.18 115.15 119.94 2pnr h HIS 243 Ca -0.01 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2pnr h HIS 243 Cb 0.95 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2pnr h HIS 243 CO 0.12 0.80 -0.09 0.52 0.86 0.00 0.00 177.93 180.13 2pnr h MET 244 N 1.17 -0.26 -0.61 2.45 2.86 -1.47 -2.74 114.93 116.34 2pnr h MET 244 Ca 0.29 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 2pnr h MET 244 Cb 0.03 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2pnr h MET 244 CO -0.05 -0.02 0.20 -0.07 1.06 0.00 0.00 176.91 178.03 2pnr h LEU 245 N -0.46 0.88 0.15 1.22 3.38 -1.07 -2.51 115.31 116.91 2pnr h LEU 245 Ca -0.03 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.76 2pnr h LEU 245 Cb 0.35 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2pnr h LEU 245 CO 0.04 0.85 -0.37 0.15 0.09 0.00 0.00 178.44 179.20 2pnr h PHE 246 N 0.87 -1.03 -0.49 1.13 3.57 -0.67 0.22 116.94 120.54 2pnr h PHE 246 Ca 0.20 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.82 2pnr h PHE 246 Cb 0.27 0.43 -0.10 0.00 2.79 0.00 0.00 35.95 39.35 2pnr h PHE 246 CO 0.02 -0.48 -0.15 1.49 -2.23 0.00 0.00 178.31 176.96 2pnr h GLU 247 N -0.63 -0.03 0.71 1.11 4.57 -1.41 0.33 114.58 119.23 2pnr h GLU 247 Ca 0.02 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2pnr h GLU 247 Cb 0.64 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.24 2pnr h GLU 247 CO -0.20 -0.02 -0.34 -0.07 -1.18 0.00 0.00 179.01 177.20 2pnr h LEU 248 N -0.03 -0.81 -1.99 1.64 3.38 -1.08 -1.60 115.31 114.82 2pnr h LEU 248 Ca 0.24 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.48 2pnr h LEU 248 Cb 0.39 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2pnr h LEU 248 CO -0.52 -0.49 0.67 -0.26 0.09 0.00 0.00 178.44 177.93 2pnr h PHE 249 N -1.10 0.01 0.68 1.13 0.04 -0.17 0.19 116.94 117.72 2pnr h PHE 249 Ca -0.10 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 2pnr h PHE 249 Cb 0.76 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.91 2pnr h PHE 249 CO -0.01 0.00 -0.33 -0.22 -0.60 0.00 0.00 178.31 177.16 2pnr h LYS 250 N 0.00 -0.88 -0.88 1.51 3.64 0.04 -2.78 116.57 117.23 2pnr h LYS 250 Ca 0.44 0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.96 2pnr h LYS 250 Cb 1.77 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 33.73 2pnr h LYS 250 CO -0.01 -0.59 0.57 -0.91 -2.27 0.00 0.00 179.45 176.25 2pnr h ASN 251 N -1.22 0.82 0.39 4.20 -0.26 -0.05 -0.82 115.58 118.63 2pnr h ASN 251 Ca -0.09 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 55.61 2pnr h ASN 251 Cb 0.70 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.79 2pnr h ASN 251 CO 0.15 0.51 -0.26 0.77 -1.06 0.00 0.00 177.43 177.54 2pnr h SER 252 N 0.92 0.00 0.08 5.81 4.64 -0.75 -1.88 113.55 122.37 2pnr h SER 252 Ca 0.39 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.47 2pnr h SER 252 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2pnr h SER 252 CO -0.16 0.26 -1.29 0.24 -0.87 0.00 0.00 176.83 175.01 2pnr h MET 253 N 0.00 0.16 -0.82 4.77 2.86 -0.98 -2.86 114.93 118.05 2pnr h MET 253 Ca -0.00 -0.28 0.11 0.00 -2.06 0.00 0.00 59.70 57.47 2pnr h MET 253 Cb 0.53 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.23 2pnr h MET 253 CO 0.03 1.13 0.54 -0.09 1.06 0.00 0.00 176.91 179.58 2pnr h ARG 254 N -0.51 0.70 0.13 1.72 2.43 -1.18 0.13 114.38 117.81 2pnr h ARG 254 Ca -0.30 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2pnr h ARG 254 Cb 1.60 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 2pnr h ARG 254 CO -0.01 0.46 -0.06 0.00 -1.51 0.00 0.00 179.97 178.85 2pnr h ALA 255 N 1.60 -0.18 -0.28 2.80 0.00 -1.47 -0.80 119.26 120.93 2pnr h ALA 255 Ca 0.39 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2pnr h ALA 255 Cb 0.53 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2pnr h ALA 255 CO -0.16 -0.27 -0.41 1.15 0.00 0.00 0.00 179.25 179.57 2pnr h THR 256 N -0.85 0.15 -0.13 0.00 2.02 -1.22 -1.18 112.91 111.70 2pnr h THR 256 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.18 2pnr h THR 256 Cb 0.54 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2pnr h THR 256 CO 0.03 0.00 0.02 0.58 0.37 0.00 0.00 175.52 176.52 2pnr h VAL 257 N -0.39 0.95 -0.01 3.16 2.07 -0.85 -0.79 116.25 120.38 2pnr h VAL 257 Ca 0.11 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2pnr h VAL 257 Cb 0.59 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2pnr h VAL 257 CO -0.48 0.01 0.00 -0.33 0.02 0.00 0.00 177.57 176.79 2pnr h GLU 258 N 0.08 0.01 0.00 1.57 5.08 -0.63 -3.23 114.58 117.46 2pnr h GLU 258 Ca 0.06 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2pnr h GLU 258 Cb 0.05 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2pnr h GLU 258 CO -0.07 0.01 -0.17 1.25 -1.00 0.00 0.00 179.01 179.04 2pnr h LEU 259 N 0.02 0.00 -6.79 1.33 5.85 -0.92 -3.39 115.31 111.40 2pnr h LEU 259 Ca 0.00 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 58.12 2pnr h LEU 259 Cb 0.01 0.00 0.10 0.00 0.37 0.00 0.00 40.66 41.13 2pnr h LEU 259 CO -0.00 0.45 1.78 -1.22 -0.34 0.00 0.00 178.44 179.10 2pnr n TYR 260 N -4.01 0.97 -1.55 1.25 4.01 -0.33 -4.83 117.16 112.67 2pnr n TYR 260 Ca -0.02 -1.14 -0.20 0.00 -0.16 0.00 0.00 57.90 56.38 2pnr n TYR 260 Cb 0.09 -1.28 -0.08 0.00 -0.31 0.00 0.00 39.34 37.75 2pnr n TYR 260 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2pnr n GLU 261 N 7.53 0.60 -0.24 -0.72 1.02 -1.25 -4.81 120.64 122.78 2pnr n GLU 261 Ca 0.48 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2pnr n GLU 261 Cb 0.41 -3.33 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 2pnr n GLU 261 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2pnr n ASP 262 N 16.65 -0.32 -3.57 1.62 8.00 -1.26 -5.18 116.55 132.49 2pnr n ASP 262 Ca 0.47 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.82 2pnr n ASP 262 Cb 0.42 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 2pnr n ASP 262 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2pnr s TYR 267 N -2.09 -0.48 0.05 1.24 2.02 -1.26 -5.19 117.35 111.63 2pnr s TYR 267 Ca 0.00 0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 57.07 2pnr s TYR 267 Cb 0.00 0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.87 2pnr s TYR 267 CO 0.00 -0.61 0.98 -2.14 -1.57 0.00 0.00 175.55 172.21 2pnr s PRO 268 N -1.94 4.61 0.82 -1.71 0.02 -1.26 -4.71 135.00 130.84 2pnr s PRO 268 Ca -0.08 1.44 -0.13 0.00 0.02 0.00 0.00 61.00 62.26 2pnr s PRO 268 Cb -0.01 -3.42 0.09 0.00 0.02 0.00 0.00 34.50 31.18 2pnr s PRO 268 CO 0.03 0.05 1.18 0.00 -0.33 0.00 0.00 177.00 177.93 2pnr n ALA 269 N 3.43 -0.17 -2.80 -1.55 0.00 -1.26 -4.51 120.51 113.65 2pnr n ALA 269 Ca 0.05 -0.36 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 2pnr n ALA 269 Cb 0.50 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 2pnr n ALA 269 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pnr s VAL 270 N -2.19 4.73 -0.14 0.00 1.01 -0.27 -4.66 120.40 118.88 2pnr s VAL 270 Ca 0.72 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2pnr s VAL 270 Cb -0.28 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2pnr s VAL 270 CO 0.52 0.03 0.22 -0.54 0.00 0.00 0.00 175.10 175.33 2pnr s LYS 271 N 1.63 3.99 -0.02 2.72 1.02 -0.92 -2.24 119.74 125.92 2pnr s LYS 271 Ca 0.05 -0.02 0.06 0.00 0.02 0.00 0.00 55.97 56.08 2pnr s LYS 271 Cb -0.17 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 2pnr s LYS 271 CO 0.07 0.45 -0.18 0.99 -0.92 0.00 0.00 175.35 175.76 2pnr s THR 272 N -0.12 2.76 -0.05 2.17 2.01 0.19 -0.78 115.64 121.81 2pnr s THR 272 Ca 0.15 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.21 2pnr s THR 272 Cb -0.13 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.33 2pnr s THR 272 CO 0.03 0.52 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.24 2pnr s LEU 273 N -0.89 1.03 -0.20 4.42 2.96 0.87 -1.85 118.68 125.01 2pnr s LEU 273 Ca 0.12 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2pnr s LEU 273 Cb -0.10 -0.43 -0.00 0.00 0.50 0.00 0.00 46.19 46.15 2pnr s LEU 273 CO 0.01 -0.11 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.16 2pnr s VAL 274 N 1.35 3.08 0.13 1.68 1.01 0.10 -0.85 120.40 126.90 2pnr s VAL 274 Ca -0.04 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.43 2pnr s VAL 274 Cb -0.13 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2pnr s VAL 274 CO -0.02 0.46 -0.21 0.42 0.00 0.00 0.00 175.10 175.75 2pnr s THR 275 N 1.35 1.81 -0.07 3.92 -4.23 -0.28 -0.80 115.64 117.33 2pnr s THR 275 Ca 0.04 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.86 2pnr s THR 275 Cb -0.14 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.01 2pnr s THR 275 CO -0.05 -0.14 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.60 2pnr s LEU 276 N -2.20 1.39 0.00 4.79 2.96 -1.14 -1.40 118.68 123.09 2pnr s LEU 276 Ca 0.11 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2pnr s LEU 276 Cb -0.09 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.91 2pnr s LEU 276 CO 0.05 -0.04 0.04 0.61 -1.32 0.00 0.00 176.35 175.70 2pnr n GLY 277 N 4.20 3.86 0.40 7.98 0.00 0.13 -1.72 105.19 120.03 2pnr n GLY 277 Ca -0.20 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 2pnr n GLY 277 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pnr h LYS 278 N 0.00 -0.42 0.02 1.61 1.57 -2.00 -3.34 116.57 114.01 2pnr h LYS 278 Ca -0.11 0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.36 2pnr h LYS 278 Cb 0.39 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 2pnr h LYS 278 CO 0.17 -0.28 -1.90 0.39 -0.57 0.00 0.00 179.45 177.26 2pnr n GLU 279 N -5.43 0.61 -4.02 3.15 1.02 -1.26 -4.78 120.64 109.93 2pnr n GLU 279 Ca -0.03 0.39 -0.21 0.00 -0.02 0.00 0.00 57.16 57.29 2pnr n GLU 279 Cb 0.36 -1.64 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 2pnr n GLU 279 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pnr s ASP 280 N -7.07 5.84 -0.19 1.62 1.01 -1.25 0.22 116.67 116.84 2pnr s ASP 280 Ca -0.32 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 52.81 2pnr s ASP 280 Cb 0.09 -1.55 0.04 0.00 1.01 0.00 0.00 42.92 42.51 2pnr s ASP 280 CO 0.58 -0.08 -0.13 -0.22 0.21 0.00 0.00 175.17 175.53 2pnr s LEU 281 N -3.92 2.27 -0.00 1.23 2.96 0.15 -0.69 118.68 120.68 2pnr s LEU 281 Ca 0.34 -0.83 0.07 0.00 -0.22 0.00 0.00 54.13 53.49 2pnr s LEU 281 Cb -0.08 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2pnr s LEU 281 CO 0.27 -0.11 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.54 2pnr s SER 282 N 1.36 3.50 -0.11 3.68 0.01 -0.49 -0.07 113.70 121.58 2pnr s SER 282 Ca 0.00 -0.40 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 2pnr s SER 282 Cb -0.15 -0.53 0.02 0.00 0.21 0.00 0.00 66.02 65.57 2pnr s SER 282 CO -0.09 0.30 -0.07 -0.63 0.41 0.00 0.00 173.24 173.16 2pnr s ILE 283 N -0.74 0.97 -0.12 1.44 1.01 -0.06 -1.13 121.20 122.57 2pnr s ILE 283 Ca 0.12 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2pnr s ILE 283 Cb -0.10 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.37 2pnr s ILE 283 CO 0.01 0.36 -0.23 -0.75 0.00 0.00 0.00 174.94 174.33 2pnr s LYS 284 N 1.69 3.04 -0.10 2.79 2.20 -0.03 -0.58 119.74 128.75 2pnr s LYS 284 Ca 0.04 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 2pnr s LYS 284 Cb -0.13 -2.38 -0.02 0.00 -1.51 0.00 0.00 37.83 33.79 2pnr s LYS 284 CO -0.08 0.07 -0.11 0.42 -0.36 0.00 0.00 175.35 175.29 2pnr s ILE 285 N 0.61 3.25 -0.02 5.43 1.01 -0.73 -0.09 121.20 130.65 2pnr s ILE 285 Ca -0.12 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.92 2pnr s ILE 285 Cb -0.17 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 39.98 2pnr s ILE 285 CO 0.03 0.55 -0.03 -0.44 0.00 0.00 0.00 174.94 175.05 2pnr s SER 286 N -0.12 0.58 0.19 3.58 0.01 0.04 -1.26 113.70 116.72 2pnr s SER 286 Ca -0.01 -0.07 0.11 0.00 1.31 0.00 0.00 55.95 57.30 2pnr s SER 286 Cb -0.14 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2pnr s SER 286 CO 0.03 -0.04 -0.24 1.51 0.41 0.00 0.00 173.24 174.91 2pnr s ASP 287 N 0.61 3.42 -0.69 2.44 1.47 -0.69 -2.16 116.67 121.08 2pnr s ASP 287 Ca -0.07 -0.86 -0.01 0.00 1.18 0.00 0.00 52.55 52.79 2pnr s ASP 287 Cb -0.10 -0.25 0.42 0.00 -0.34 0.00 0.00 42.92 42.64 2pnr s ASP 287 CO -0.01 0.12 1.91 0.18 0.68 0.00 0.00 175.17 178.06 2pnr n LEU 288 N 0.31 7.25 -1.25 2.11 4.77 -1.26 -1.54 117.00 127.38 2pnr n LEU 288 Ca -0.13 -4.57 -0.04 0.00 -0.03 0.00 0.00 56.01 51.24 2pnr n LEU 288 Cb 0.56 -0.93 0.10 0.00 -2.33 0.00 0.00 43.42 40.82 2pnr n LEU 288 CO 0.29 1.67 0.65 0.61 -1.33 0.00 0.00 177.39 179.27 2pnr n GLY 289 N -0.75 2.52 2.25 -0.72 0.00 -1.23 -4.80 105.19 102.46 2pnr n GLY 289 Ca 0.57 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2pnr n GLY 289 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnr n GLY 290 N 0.05 0.84 1.43 -0.02 0.00 -0.53 -4.68 105.19 102.28 2pnr n GLY 290 Ca 0.16 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.37 2pnr n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnr n GLY 291 N -2.18 -2.10 2.94 -0.02 0.00 -1.25 -0.92 105.19 101.66 2pnr n GLY 291 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2pnr n GLY 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnr s VAL 292 N -2.58 0.33 0.19 1.61 1.01 -1.26 -4.56 120.40 115.14 2pnr s VAL 292 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 2pnr s VAL 292 Cb 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 2pnr s VAL 292 CO 0.00 0.10 1.37 -2.16 0.00 0.00 0.00 175.10 174.40 2pnr s PRO 293 N -0.06 4.34 0.40 2.72 0.04 -1.26 -4.17 135.00 137.01 2pnr s PRO 293 Ca 0.01 2.14 0.23 0.00 0.04 0.00 0.00 61.00 63.42 2pnr s PRO 293 Cb -0.02 -3.18 1.28 0.00 0.04 0.00 0.00 34.50 32.62 2pnr s PRO 293 CO -0.00 -0.34 1.65 1.25 0.04 0.00 0.00 177.00 179.60 2pnr h LEU 294 N 5.61 0.35 -0.03 -3.56 5.85 -2.00 0.09 115.31 121.62 2pnr h LEU 294 Ca -0.44 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.45 2pnr h LEU 294 Cb 1.21 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2pnr h LEU 294 CO 0.80 -0.15 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.57 2pnr h ARG 295 N 0.19 -0.13 -0.28 1.25 2.43 -2.04 -3.00 114.38 112.80 2pnr h ARG 295 Ca 0.76 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.91 2pnr h ARG 295 Cb 2.14 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.71 2pnr h ARG 295 CO -0.48 -0.09 0.05 0.87 -1.51 0.00 0.00 179.97 178.81 2pnr h LYS 296 N -0.14 0.46 -1.00 0.20 1.57 -1.37 -3.30 116.57 113.00 2pnr h LYS 296 Ca 0.05 -0.12 0.38 0.00 -1.87 0.00 0.00 60.65 59.08 2pnr h LYS 296 Cb 0.20 -0.05 -0.18 0.00 0.08 0.00 0.00 32.23 32.28 2pnr h LYS 296 CO -0.12 0.57 0.43 0.82 -0.57 0.00 0.00 179.45 180.58 2pnr h ILE 297 N 0.28 0.04 -0.10 1.86 2.04 -1.29 0.50 117.51 120.84 2pnr h ILE 297 Ca 0.09 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2pnr h ILE 297 Cb 0.33 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2pnr h ILE 297 CO 0.00 0.01 0.04 -0.78 0.00 0.00 0.00 178.15 177.42 2pnr h ASP 298 N 0.04 0.14 0.00 1.72 1.82 -1.63 -2.75 116.42 115.75 2pnr h ASP 298 Ca 0.78 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.26 2pnr h ASP 298 Cb 1.97 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.94 2pnr h ASP 298 CO -0.78 0.26 0.29 0.03 -1.61 0.00 0.00 179.24 177.43 2pnr h ARG 299 N 0.01 0.00 0.00 0.28 3.08 -0.15 0.13 114.38 117.73 2pnr h ARG 299 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2pnr h ARG 299 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2pnr h ARG 299 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2pnr n LEU 300 N -2.36 0.00 -0.02 3.04 4.77 -1.04 -3.77 117.00 117.62 2pnr n LEU 300 Ca -0.01 0.37 -0.02 0.00 -0.03 0.00 0.00 56.01 56.32 2pnr n LEU 300 Cb 0.32 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2pnr n LEU 300 CO 0.09 -0.13 -0.65 0.49 -1.33 0.00 0.00 177.39 175.86 2pnr n PHE 301 N -1.37 0.00 -1.45 -1.77 3.72 0.45 -4.28 117.46 112.76 2pnr n PHE 301 Ca 0.07 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.18 2pnr n PHE 301 Cb 0.19 -0.23 0.14 0.00 -0.94 0.00 0.00 39.48 38.63 2pnr n PHE 301 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2pnr s ASN 302 N -3.60 3.51 -0.41 4.37 0.01 -1.24 -4.72 114.94 112.86 2pnr s ASN 302 Ca -0.02 1.10 -0.04 0.00 -0.71 0.00 0.00 52.86 53.18 2pnr s ASN 302 Cb 0.01 -1.72 0.06 0.00 0.41 0.00 0.00 41.25 40.01 2pnr s ASN 302 CO 0.19 -2.57 2.75 -1.22 -1.51 0.00 0.00 177.10 174.74 2pnr n TYR 303 N -3.79 1.50 -1.74 2.20 4.01 -1.26 -4.96 117.16 113.11 2pnr n TYR 303 Ca 0.06 -1.92 -0.01 0.00 -0.16 0.00 0.00 57.90 55.88 2pnr n TYR 303 Cb 0.58 -1.35 0.16 0.00 -0.31 0.00 0.00 39.34 38.42 2pnr n TYR 303 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pnr n MET 304 N 0.91 1.97 0.00 -0.72 0.00 -1.26 -5.13 117.12 112.89 2pnr n MET 304 Ca 0.47 -3.45 0.00 0.00 0.00 0.00 0.00 57.70 54.72 2pnr n MET 304 Cb 0.58 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 32.10 2pnr n MET 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pnr n GLY 327 N -0.96 1.35 0.25 3.17 0.00 -1.26 -5.06 105.19 102.68 2pnr n GLY 327 Ca 0.24 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 2pnr n GLY 327 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pnr h LEU 328 N 0.00 0.81 -1.41 0.99 5.85 -1.96 -2.46 115.31 117.13 2pnr h LEU 328 Ca 0.00 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 2pnr h LEU 328 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2pnr h LEU 328 CO 0.00 1.09 -0.24 -0.65 -0.34 0.00 0.00 178.44 178.30 2pnr h PRO 329 N 0.64 0.08 0.08 5.25 0.11 -1.85 -2.19 132.00 134.12 2pnr h PRO 329 Ca 0.06 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.96 2pnr h PRO 329 Cb 0.91 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.03 2pnr h PRO 329 CO 0.08 0.32 -0.80 0.82 -0.21 0.00 0.00 178.00 178.21 2pnr h ILE 330 N 0.07 1.44 -1.01 4.15 1.08 -1.93 -2.83 117.51 118.49 2pnr h ILE 330 Ca 0.01 -2.33 0.18 0.00 -0.39 0.00 0.00 64.86 62.33 2pnr h ILE 330 Cb 0.47 2.86 -0.10 0.00 -3.07 0.00 0.00 36.82 36.98 2pnr h ILE 330 CO 0.03 0.67 0.62 0.28 -0.69 0.00 0.00 178.15 179.06 2pnr h SER 331 N -0.15 0.82 0.89 1.72 0.02 -1.28 0.51 113.55 116.07 2pnr h SER 331 Ca -0.12 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2pnr h SER 331 Cb 1.55 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.02 2pnr h SER 331 CO 0.15 0.32 -0.40 -0.09 -1.14 0.00 0.00 176.83 175.67 2pnr h ARG 332 N 0.81 0.00 -0.15 3.45 2.43 -1.40 -1.80 114.38 117.72 2pnr h ARG 332 Ca 0.57 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.59 2pnr h ARG 332 Cb 0.83 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2pnr h ARG 332 CO -0.36 0.40 -0.51 -0.07 -1.51 0.00 0.00 179.97 177.91 2pnr h LEU 333 N 0.00 0.45 0.17 3.80 3.38 0.13 -1.67 115.31 121.57 2pnr h LEU 333 Ca -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2pnr h LEU 333 Cb 0.95 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2pnr h LEU 333 CO 0.05 0.89 -0.08 1.88 0.09 0.00 0.00 178.44 181.27 2pnr h TYR 334 N 0.33 -0.22 -0.66 1.13 0.05 -0.15 1.00 116.97 118.45 2pnr h TYR 334 Ca 0.01 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.83 2pnr h TYR 334 Cb 1.02 0.07 -0.05 0.00 1.01 0.00 0.00 36.73 38.78 2pnr h TYR 334 CO 0.03 -0.10 0.39 0.00 -1.05 0.00 0.00 178.16 177.43 2pnr h ALA 335 N 0.55 0.87 0.00 3.88 0.00 -1.21 -2.52 119.26 120.84 2pnr h ALA 335 Ca -0.02 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2pnr h ALA 335 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pnr h ALA 335 CO 0.04 0.10 -0.58 0.00 0.00 0.00 0.00 179.25 178.81 2pnr h ARG 336 N 0.74 0.00 -0.90 0.00 2.47 -1.18 0.52 114.38 116.03 2pnr h ARG 336 Ca 0.28 0.00 0.24 0.00 -1.26 0.00 0.00 59.98 59.24 2pnr h ARG 336 Cb 0.10 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.28 2pnr h ARG 336 CO -0.14 0.58 0.31 -0.92 0.56 0.00 0.00 179.97 180.36 2pnr h TYR 337 N 0.00 0.48 -0.84 3.04 3.20 -0.33 0.72 116.97 123.24 2pnr h TYR 337 Ca -0.01 0.05 -0.57 0.00 3.14 0.00 0.00 58.73 61.34 2pnr h TYR 337 Cb 1.04 -0.07 -0.32 0.00 1.54 0.00 0.00 36.73 38.92 2pnr h TYR 337 CO 0.00 -0.17 0.15 1.19 -1.64 0.00 0.00 178.16 177.69 2pnr n PHE 338 N -5.17 2.83 -0.90 -3.82 3.72 -1.23 -0.14 117.46 112.76 2pnr n PHE 338 Ca 0.23 -2.53 0.00 0.00 -0.05 0.00 0.00 57.45 55.09 2pnr n PHE 338 Cb 0.71 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 2pnr n PHE 338 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2pnr n GLN 339 N -0.88 -0.18 -0.09 -1.08 1.13 0.25 -4.25 117.38 112.28 2pnr n GLN 339 Ca 0.53 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.63 2pnr n GLN 339 Cb 0.86 -3.24 0.00 0.00 0.11 0.00 0.00 30.24 27.97 2pnr n GLN 339 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pnr n GLY 340 N -1.94 -0.05 3.73 1.08 0.00 0.17 -4.75 105.19 103.42 2pnr n GLY 340 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 2pnr n GLY 340 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnr s ASP 341 N -1.00 -0.20 -0.06 1.61 2.15 -0.22 -3.30 116.67 115.65 2pnr s ASP 341 Ca 0.00 -0.37 -0.02 0.00 0.43 0.00 0.00 52.55 52.59 2pnr s ASP 341 Cb 0.00 0.49 0.03 0.00 -0.30 0.00 0.00 42.92 43.14 2pnr s ASP 341 CO 0.00 -0.89 0.03 -0.22 -0.17 0.00 0.00 175.17 173.92 2pnr s LEU 342 N -2.90 0.39 0.07 -1.34 0.20 -1.26 0.57 118.68 114.41 2pnr s LEU 342 Ca 0.11 -0.02 0.08 0.00 0.69 0.00 0.00 54.13 55.00 2pnr s LEU 342 Cb -0.01 -0.31 -0.03 0.00 -0.43 0.00 0.00 46.19 45.41 2pnr s LEU 342 CO 0.01 -0.22 -0.21 -0.54 -0.29 0.00 0.00 176.35 175.10 2pnr s LYS 343 N 2.06 1.87 -0.13 1.98 1.02 0.13 -4.94 119.74 121.74 2pnr s LYS 343 Ca 0.05 -1.09 0.02 0.00 0.02 0.00 0.00 55.97 54.97 2pnr s LYS 343 Cb -0.12 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.11 2pnr s LYS 343 CO -0.04 0.51 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.20 2pnr s LEU 344 N -1.59 1.91 -0.04 3.17 1.43 -1.26 0.35 118.68 122.65 2pnr s LEU 344 Ca 0.14 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2pnr s LEU 344 Cb -0.10 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.87 2pnr s LEU 344 CO 0.05 0.04 0.09 -0.72 0.23 0.00 0.00 176.35 176.04 2pnr s TYR 345 N 0.92 -0.08 0.28 0.29 -0.85 -0.43 -5.00 117.35 112.49 2pnr s TYR 345 Ca -0.06 0.27 0.12 0.00 -0.52 0.00 0.00 57.07 56.88 2pnr s TYR 345 Cb -0.15 -0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.06 2pnr s TYR 345 CO -0.02 -0.09 -0.18 0.45 -1.52 0.00 0.00 175.55 174.19 2pnr s SER 346 N 0.68 3.66 -0.49 -0.18 0.15 -1.26 -1.40 113.70 114.86 2pnr s SER 346 Ca -0.05 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2pnr s SER 346 Cb -0.07 -0.34 0.13 0.00 -1.71 0.00 0.00 66.02 64.03 2pnr s SER 346 CO -0.03 0.02 0.26 -0.04 1.20 0.00 0.00 173.24 174.65 2pnr s MET 347 N -3.53 2.07 -0.03 5.44 -1.94 -0.86 -4.91 119.30 115.54 2pnr s MET 347 Ca 0.30 -2.24 -0.30 0.00 -1.71 0.00 0.00 55.69 51.74 2pnr s MET 347 Cb -0.05 -3.50 -0.09 0.00 2.01 0.00 0.00 34.83 33.21 2pnr s MET 347 CO 0.15 -1.09 2.02 -1.91 -0.01 0.00 0.00 175.02 174.18 2pnr n GLU 348 N 3.84 2.58 0.00 2.03 2.13 -1.26 -0.93 120.64 129.04 2pnr n GLU 348 Ca 0.04 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.77 2pnr n GLU 348 Cb 0.38 -3.00 0.00 0.00 0.27 0.00 0.00 31.44 29.10 2pnr n GLU 348 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pnr n GLY 349 N 4.80 1.65 1.72 8.31 0.00 -0.10 -4.94 105.19 116.62 2pnr n GLY 349 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2pnr n GLY 349 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pnr n VAL 350 N -0.02 0.07 -3.02 1.61 0.31 -0.10 -4.71 118.33 112.47 2pnr n VAL 350 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2pnr n VAL 350 Cb 0.00 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2pnr n VAL 350 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pnr n GLY 351 N 1.95 -0.96 3.04 2.92 0.00 -1.04 -1.45 105.19 109.65 2pnr n GLY 351 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2pnr n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pnr s THR 352 N -3.00 0.08 -0.20 2.61 2.01 -0.59 -2.04 115.64 114.51 2pnr s THR 352 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 2pnr s THR 352 Cb 0.00 -0.32 0.03 0.00 0.01 0.00 0.00 72.50 72.21 2pnr s THR 352 CO 0.00 -0.38 -0.16 -1.81 -0.69 0.00 0.00 174.62 171.58 2pnr s ASP 353 N -1.24 3.56 -0.18 3.53 1.01 -0.49 -1.71 116.67 121.15 2pnr s ASP 353 Ca -0.13 -0.79 -0.06 0.00 0.71 0.00 0.00 52.55 52.28 2pnr s ASP 353 Cb -0.08 -1.53 -0.03 0.00 1.01 0.00 0.00 42.92 42.29 2pnr s ASP 353 CO 0.00 -0.05 0.01 0.00 0.21 0.00 0.00 175.17 175.35 2pnr s ALA 354 N 1.27 3.17 -0.02 5.23 0.00 -0.39 -1.31 121.76 129.71 2pnr s ALA 354 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2pnr s ALA 354 Cb -0.15 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.21 2pnr s ALA 354 CO -0.10 0.10 -0.13 0.08 0.00 0.00 0.00 175.76 175.71 2pnr s VAL 355 N 0.54 1.11 -0.17 0.00 1.01 0.16 -1.78 120.40 121.26 2pnr s VAL 355 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2pnr s VAL 355 Cb -0.14 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2pnr s VAL 355 CO 0.02 0.32 -0.07 -0.63 0.00 0.00 0.00 175.10 174.74 2pnr s ILE 356 N -0.07 3.48 -0.11 2.22 1.01 0.26 0.19 121.20 128.18 2pnr s ILE 356 Ca 0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 2pnr s ILE 356 Cb -0.08 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2pnr s ILE 356 CO 0.01 0.48 -0.03 -0.31 0.00 0.00 0.00 174.94 175.09 2pnr s TYR 357 N 0.67 3.06 -0.01 3.97 2.02 0.19 -0.88 117.35 126.38 2pnr s TYR 357 Ca -0.04 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 2pnr s TYR 357 Cb -0.15 -1.85 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2pnr s TYR 357 CO 0.02 0.23 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.71 2pnr s LEU 358 N -0.33 1.76 0.30 -1.29 1.43 0.90 -1.06 118.68 120.40 2pnr s LEU 358 Ca 0.06 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2pnr s LEU 358 Cb -0.12 -0.12 -0.12 0.00 0.03 0.00 0.00 46.19 45.86 2pnr s LEU 358 CO 0.02 -0.01 1.56 0.29 0.23 0.00 0.00 176.35 178.43 2pnr n LYS 359 N 3.34 2.62 -0.08 1.70 4.76 -1.26 0.29 118.16 129.54 2pnr n LYS 359 Ca -0.17 0.93 0.10 0.00 -2.87 0.00 0.00 58.31 56.31 2pnr n LYS 359 Cb 0.57 -2.69 0.38 0.00 -1.84 0.00 0.00 35.03 31.44 2pnr n LYS 359 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pnr n ALA 360 N 1.82 2.52 -3.70 7.82 0.00 0.13 -4.68 120.51 124.42 2pnr n ALA 360 Ca 0.08 -0.51 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 2pnr n ALA 360 Cb 0.37 -1.09 -0.17 0.00 0.00 0.00 0.00 19.45 18.55 2pnr n ALA 360 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pnr s LEU 361 N -1.55 1.15 0.44 0.00 1.43 -1.26 -4.86 118.68 114.03 2pnr s LEU 361 Ca 0.32 -0.18 0.16 0.00 -1.03 0.00 0.00 54.13 53.39 2pnr s LEU 361 Cb 0.17 -0.59 1.08 0.00 0.03 0.00 0.00 46.19 46.88 2pnr s LEU 361 CO 0.26 -0.09 1.96 0.28 0.23 0.00 0.00 176.35 178.98 2pnr h SER 362 N 7.67 0.33 0.20 2.29 0.02 -1.87 0.73 113.55 122.93 2pnr h SER 362 Ca -0.30 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2pnr h SER 362 Cb 1.15 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 2pnr h SER 362 CO 0.40 0.19 -0.06 0.77 -1.14 0.00 0.00 176.83 176.99 2pnr h SER 363 N 0.37 0.00 -0.02 3.07 4.64 -1.95 -2.72 113.55 116.94 2pnr h SER 363 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2pnr h SER 363 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2pnr h SER 363 CO -0.08 0.06 -0.29 -0.62 -0.87 0.00 0.00 176.83 175.03 2pnr n GLU 364 N -3.72 1.57 -3.16 4.77 1.02 0.23 -4.78 120.64 116.58 2pnr n GLU 364 Ca -0.02 -1.18 -0.45 0.00 -0.02 0.00 0.00 57.16 55.49 2pnr n GLU 364 Cb 0.17 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 2pnr n GLU 364 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2pnr s SER 365 N -2.10 7.06 0.13 1.62 0.01 -1.04 -4.86 113.70 114.52 2pnr s SER 365 Ca 0.19 -3.06 -0.07 0.00 1.31 0.00 0.00 55.95 54.32 2pnr s SER 365 Cb 0.16 -2.30 -0.06 0.00 0.21 0.00 0.00 66.02 64.04 2pnr s SER 365 CO 0.43 -0.58 0.40 -0.36 0.41 0.00 0.00 173.24 173.54 2pnr s PHE 366 N 0.40 3.51 0.41 2.43 0.08 -1.26 -0.87 117.98 122.67 2pnr s PHE 366 Ca 0.33 0.68 -0.26 0.00 0.12 0.00 0.00 56.93 57.79 2pnr s PHE 366 Cb -0.07 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.20 2pnr s PHE 366 CO -0.06 0.45 1.35 -1.21 -0.10 0.00 0.00 175.22 175.65 2pnr s GLU 367 N -2.39 3.96 -0.37 0.44 2.02 0.53 -3.67 118.70 119.22 2pnr s GLU 367 Ca 0.39 2.27 -0.04 0.00 0.02 0.00 0.00 54.97 57.61 2pnr s GLU 367 Cb -0.13 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.39 2pnr s GLU 367 CO 0.22 -0.54 0.14 -0.98 0.02 0.00 0.00 175.26 174.11 2pnr s ARG 368 N -2.23 2.31 0.11 1.61 1.70 0.80 -4.64 118.95 118.61 2pnr s ARG 368 Ca 0.57 -1.51 0.03 0.00 -0.47 0.00 0.00 55.73 54.35 2pnr s ARG 368 Cb -0.40 -3.48 -0.04 0.00 -0.57 0.00 0.00 34.95 30.46 2pnr s ARG 368 CO 0.53 -0.86 0.13 -0.51 -1.08 0.00 0.00 175.30 173.51 2pnr s LEU 369 N 1.26 3.94 -0.52 -1.89 1.43 -1.26 -4.81 118.68 116.82 2pnr s LEU 369 Ca 0.02 0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.85 2pnr s LEU 369 Cb -0.21 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.45 2pnr s LEU 369 CO -0.01 0.13 1.25 -2.84 0.23 0.00 0.00 176.35 175.11 2pnr s PRO 370 N -2.69 3.55 -0.05 1.29 0.02 -1.26 -5.03 135.00 130.82 2pnr s PRO 370 Ca 0.31 0.49 -0.13 0.00 0.02 0.00 0.00 61.00 61.69 2pnr s PRO 370 Cb -0.12 -4.00 -0.05 0.00 0.02 0.00 0.00 34.50 30.35 2pnr s PRO 370 CO 0.24 -1.62 0.33 0.08 -0.33 0.00 0.00 177.00 175.70 2pnr s VAL 371 N 5.09 5.18 -0.39 3.83 1.01 -1.26 -4.84 120.40 129.02 2pnr s VAL 371 Ca 0.49 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 2pnr s VAL 371 Cb -0.09 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2pnr s VAL 371 CO 0.28 0.56 0.24 0.12 0.00 0.00 0.00 175.10 176.30 2pnr s PHE 372 N -0.83 3.25 0.00 5.22 5.36 -1.26 -4.66 117.98 125.06 2pnr s PHE 372 Ca 0.21 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 2pnr s PHE 372 Cb -0.15 -2.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.98 2pnr s PHE 372 CO 0.10 -0.67 0.00 0.27 -1.46 0.00 0.00 175.22 173.46 2pnr n ASN 373 N 5.03 0.00 0.04 6.13 0.23 -1.26 -4.84 115.26 120.59 2pnr n ASN 373 Ca -0.11 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.81 2pnr n ASN 373 Cb 0.46 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.08 2pnr n ASN 373 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2pnr h LYS 374 N 0.00 -0.07 -0.36 -3.83 1.79 -1.98 -1.62 116.57 110.51 2pnr h LYS 374 Ca 0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.54 2pnr h LYS 374 Cb 0.00 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.58 2pnr h LYS 374 CO 0.00 0.13 -0.43 0.77 -1.08 0.00 0.00 179.45 178.84 2pnr h SER 375 N -0.26 -1.43 -0.44 0.86 0.02 -1.97 0.20 113.55 110.54 2pnr h SER 375 Ca -0.01 0.21 0.06 0.00 -0.84 0.00 0.00 61.79 61.22 2pnr h SER 375 Cb 0.23 0.61 -0.05 0.00 0.14 0.00 0.00 62.40 63.33 2pnr h SER 375 CO 0.01 -0.38 0.12 0.00 -1.14 0.00 0.00 176.83 175.44 2pnr h ALA 376 N 0.35 0.51 -0.72 3.77 0.00 -1.82 -2.44 119.26 118.90 2pnr h ALA 376 Ca 0.12 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2pnr h ALA 376 Cb 0.59 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2pnr h ALA 376 CO -0.54 -0.27 0.36 2.35 0.00 0.00 0.00 179.25 181.14 2pnr h TRP 377 N 0.27 0.64 0.00 0.00 7.01 -0.03 -1.52 115.95 122.33 2pnr h TRP 377 Ca 0.21 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.24 2pnr h TRP 377 Cb 0.24 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2pnr h TRP 377 CO -0.18 0.23 -0.01 0.00 -2.79 0.00 0.00 178.44 175.69 2pnr h ARG 378 N 0.61 0.00 0.00 2.65 3.08 -0.19 -2.07 114.38 118.45 2pnr h ARG 378 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2pnr h ARG 378 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2pnr h ARG 378 CO -0.27 0.01 0.00 0.72 -1.07 0.00 0.00 179.97 179.36 2pnr n HIS 379 N -3.74 0.00 -0.62 3.04 8.25 -0.57 -2.81 115.22 118.77 2pnr n HIS 379 Ca -0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.50 2pnr n HIS 379 Cb 0.10 -0.46 0.18 0.00 1.12 0.00 0.00 29.99 30.93 2pnr n HIS 379 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2pnr n TYR 380 N -1.46 0.54 0.00 4.41 4.02 -0.78 -4.39 117.16 119.51 2pnr n TYR 380 Ca 0.06 -0.73 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 2pnr n TYR 380 Cb 0.24 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 2pnr n TYR 380 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2pnr n LYS 381 N -0.30 5.05 0.00 -0.72 4.76 -1.12 -4.92 118.16 120.91 2pnr n LYS 381 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2pnr n LYS 381 Cb 0.63 -0.51 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 2pnr n LYS 381 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2pnr n THR 382 N -0.92 0.00 0.00 -0.18 -2.24 -1.19 -5.13 114.28 104.62 2pnr n THR 382 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2pnr n THR 382 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2pnr n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnr n ALA 386 N -3.00 0.00 -3.58 6.98 0.00 -1.26 -4.94 120.51 114.71 2pnr n ALA 386 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pnr n ALA 386 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2pnr n ALA 386 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pnr s ASP 387 N 0.00 -0.08 -0.20 0.00 2.15 -1.26 -4.98 116.67 112.31 2pnr s ASP 387 Ca 0.00 0.23 0.12 0.00 0.43 0.00 0.00 52.55 53.33 2pnr s ASP 387 Cb 0.00 0.14 0.42 0.00 -0.30 0.00 0.00 42.92 43.18 2pnr s ASP 387 CO 0.00 -0.12 1.22 -0.90 -0.17 0.00 0.00 175.17 175.20 2pnr n ASP 388 N 3.95 1.68 -4.10 -0.34 5.68 -1.26 -4.98 116.55 117.18 2pnr n ASP 388 Ca -0.24 -3.79 -0.10 0.00 -0.50 0.00 0.00 54.79 50.17 2pnr n ASP 388 Cb 0.53 -0.52 -0.10 0.00 -1.14 0.00 0.00 41.12 39.89 2pnr n ASP 388 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 2pnr s TRP 389 N -3.05 0.64 -2.00 2.11 0.52 -1.26 -5.50 118.94 110.39 2pnr s TRP 389 Ca 0.38 -0.83 0.27 0.00 0.02 0.00 0.00 56.10 55.94 2pnr s TRP 389 Cb 0.37 -0.41 1.61 0.00 -1.15 0.00 0.00 33.47 33.89 2pnr s TRP 389 CO -0.07 -0.22 1.96 -1.13 0.02 0.00 0.00 176.95 177.51