#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnr h LYS 14 N 0.00 0.18 -0.37 -0.52 1.57 -2.05 0.13 116.57 115.52 2pnr h LYS 14 Ca 0.00 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 2pnr h LYS 14 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2pnr h LYS 14 CO 0.00 0.73 -0.32 1.96 -0.57 0.00 0.00 179.45 181.26 2pnr h GLN 15 N -0.34 0.86 -0.22 3.15 1.08 -2.05 -2.14 115.11 115.45 2pnr h GLN 15 Ca -0.00 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 2pnr h GLN 15 Cb 0.74 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 2pnr h GLN 15 CO 0.03 1.08 0.14 0.82 -0.95 0.00 0.00 178.83 179.95 2pnr h ILE 16 N 0.66 1.05 -0.15 2.54 2.04 -1.97 0.22 117.51 121.89 2pnr h ILE 16 Ca 0.06 -0.10 -0.19 0.00 1.00 0.00 0.00 64.86 65.63 2pnr h ILE 16 Cb 0.90 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2pnr h ILE 16 CO 0.08 0.05 -0.68 -0.08 0.00 0.00 0.00 178.15 177.52 2pnr h GLU 17 N 0.29 0.63 -0.00 2.37 4.22 -0.52 -2.32 114.58 119.25 2pnr h GLU 17 Ca 0.08 -0.47 -0.00 0.00 0.08 0.00 0.00 59.36 59.04 2pnr h GLU 17 Cb -0.03 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2pnr h GLU 17 CO -0.02 1.09 -0.01 -0.09 -2.18 0.00 0.00 179.01 177.80 2pnr h ARG 18 N 0.45 0.01 -0.36 1.92 2.43 -0.45 -3.14 114.38 115.25 2pnr h ARG 18 Ca -0.02 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 2pnr h ARG 18 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2pnr h ARG 18 CO 0.13 0.69 -0.21 1.88 -1.51 0.00 0.00 179.97 180.95 2pnr h TYR 19 N -0.66 0.77 0.00 2.20 0.05 -0.75 -2.39 116.97 116.19 2pnr h TYR 19 Ca -0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.61 2pnr h TYR 19 Cb 0.69 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 2pnr h TYR 19 CO 0.16 0.84 -0.05 0.66 -1.05 0.00 0.00 178.16 178.72 2pnr h SER 20 N 0.60 0.00 -0.01 3.88 4.64 -1.52 -0.17 113.55 120.97 2pnr h SER 20 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2pnr h SER 20 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2pnr h SER 20 CO 0.05 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.60 2pnr n ARG 21 N -4.15 1.07 -3.34 4.77 1.74 -0.90 -4.63 116.66 111.22 2pnr n ARG 21 Ca -0.03 -0.10 -0.24 0.00 -0.77 0.00 0.00 57.85 56.71 2pnr n ARG 21 Cb 0.13 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2pnr n ARG 21 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2pnr s PHE 22 N -1.98 3.50 -0.12 -1.55 0.40 -0.08 -5.08 117.98 113.07 2pnr s PHE 22 Ca 0.31 0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 56.97 2pnr s PHE 22 Cb 0.15 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 2pnr s PHE 22 CO 0.24 0.11 0.08 -1.54 0.70 0.00 0.00 175.22 174.81 2pnr s SER 23 N -4.00 5.87 1.17 1.36 1.04 -1.26 -4.82 113.70 113.05 2pnr s SER 23 Ca 0.40 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 56.99 2pnr s SER 23 Cb -0.10 -1.84 0.25 0.00 0.10 0.00 0.00 66.02 64.44 2pnr s SER 23 CO 0.36 0.37 0.81 -2.65 0.98 0.00 0.00 173.24 173.11 2pnr n PRO 24 N 2.26 -2.31 -3.84 4.02 -0.02 -1.26 -5.00 135.00 128.84 2pnr n PRO 24 Ca -0.19 -0.65 -0.30 0.00 -2.02 0.00 0.00 63.50 60.34 2pnr n PRO 24 Cb 0.54 -2.07 -0.15 0.00 -0.02 0.00 0.00 33.50 31.79 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 -2.29 4.12 0.40 2.55 0.01 -1.26 -5.12 113.70 112.11 2pnr s SER 25 Ca 0.66 -1.64 -0.24 0.00 1.31 0.00 0.00 55.95 56.04 2pnr s SER 25 Cb -0.23 -1.10 -0.09 0.00 0.21 0.00 0.00 66.02 64.81 2pnr s SER 25 CO 0.65 -0.37 1.05 -2.16 0.41 0.00 0.00 173.24 172.83 2pnr s PRO 26 N 1.41 4.16 -0.04 12.44 0.04 -1.26 -5.05 135.00 146.69 2pnr s PRO 26 Ca 0.07 1.51 0.06 0.00 0.04 0.00 0.00 61.00 62.69 2pnr s PRO 26 Cb -0.18 -2.54 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 2pnr s PRO 26 CO -0.17 -0.15 -0.24 -0.51 0.04 0.00 0.00 177.00 175.98 2pnr s LEU 27 N -2.65 2.14 0.67 -3.56 1.43 -1.26 -4.80 118.68 110.65 2pnr s LEU 27 Ca 0.58 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 2pnr s LEU 27 Cb -0.22 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2pnr s LEU 27 CO 0.28 0.28 1.07 -0.94 0.23 0.00 0.00 176.35 177.26 2pnr s SER 28 N -0.36 5.31 0.23 2.29 1.04 -1.26 -2.41 113.70 118.55 2pnr s SER 28 Ca 0.03 1.76 -0.06 0.00 0.48 0.00 0.00 55.95 58.15 2pnr s SER 28 Cb -0.12 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.79 2pnr s SER 28 CO 0.02 -1.49 1.85 0.40 0.98 0.00 0.00 173.24 175.00 2pnr h ILE 29 N -0.36 1.04 -0.66 -1.02 2.04 -0.90 -0.84 117.51 116.80 2pnr h ILE 29 Ca -0.45 -0.32 0.13 0.00 1.00 0.00 0.00 64.86 65.22 2pnr h ILE 29 Cb 1.22 0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.24 2pnr h ILE 29 CO 0.56 0.17 0.17 0.50 0.00 0.00 0.00 178.15 179.55 2pnr h LYS 30 N 0.93 0.29 -0.47 2.37 3.64 -1.82 -1.55 116.57 119.95 2pnr h LYS 30 Ca 0.36 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2pnr h LYS 30 Cb 0.15 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2pnr h LYS 30 CO -0.17 0.19 0.28 1.96 -2.27 0.00 0.00 179.45 179.44 2pnr h GLN 31 N 0.29 0.64 -0.49 1.90 4.20 -1.48 0.14 115.11 120.31 2pnr h GLN 31 Ca 0.36 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.05 2pnr h GLN 31 Cb 0.55 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 2pnr h GLN 31 CO -0.43 0.48 0.26 0.74 -0.67 0.00 0.00 178.83 179.20 2pnr h PHE 32 N 0.63 0.48 0.54 2.96 0.04 -0.72 -1.76 116.94 119.11 2pnr h PHE 32 Ca 0.17 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 2pnr h PHE 32 Cb 0.00 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.01 2pnr h PHE 32 CO -0.03 0.25 -0.26 1.25 -0.60 0.00 0.00 178.31 178.92 2pnr h LEU 33 N 0.51 -0.61 -1.87 1.54 5.85 -0.96 -1.77 115.31 118.00 2pnr h LEU 33 Ca 0.21 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.17 2pnr h LEU 33 Cb 0.10 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2pnr h LEU 33 CO -0.14 -0.42 0.57 0.44 -0.34 0.00 0.00 178.44 178.55 2pnr h ASP 34 N -0.76 0.11 0.07 1.25 3.32 -0.77 -0.42 116.42 119.21 2pnr h ASP 34 Ca -0.07 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2pnr h ASP 34 Cb 0.56 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2pnr h ASP 34 CO 0.12 0.04 -0.03 0.15 -1.72 0.00 0.00 179.24 177.80 2pnr h PHE 35 N 0.11 -0.08 0.00 4.55 3.57 -1.12 0.40 116.94 124.37 2pnr h PHE 35 Ca 0.39 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 2pnr h PHE 35 Cb 1.40 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.16 2pnr h PHE 35 CO -0.00 0.44 0.00 0.41 -2.23 0.00 0.00 178.31 176.93 2pnr n GLY 36 N 0.46 -0.97 0.39 2.40 0.00 -0.68 -0.19 105.19 106.59 2pnr n GLY 36 Ca -0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.11 0.25 -0.08 1.61 0.63 -0.22 -4.61 116.66 113.13 2pnr n ARG 37 Ca 0.17 0.09 -0.14 0.00 -0.92 0.00 0.00 57.85 57.05 2pnr n ARG 37 Cb 0.14 -1.04 -0.08 0.00 0.45 0.00 0.00 32.46 31.93 2pnr n ARG 37 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2pnr h ASP 38 N -0.23 0.00 0.00 6.15 3.32 -0.31 -3.44 116.42 121.91 2pnr h ASP 38 Ca -0.27 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.40 2pnr h ASP 38 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2pnr h ASP 38 CO -0.12 1.12 -0.00 -1.13 -1.72 0.00 0.00 179.24 177.39 2pnr h ASN 39 N -1.00 -0.00 -2.18 6.45 -0.00 -1.53 -3.48 115.58 113.84 2pnr h ASN 39 Ca -0.17 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 55.79 2pnr h ASN 39 Cb 0.91 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 39.19 2pnr h ASN 39 CO -0.10 0.01 -0.42 0.00 -0.00 0.00 0.00 177.43 176.92 2pnr n ALA 40 N -2.02 -0.47 -2.62 1.57 0.00 0.73 -4.97 120.51 112.74 2pnr n ALA 40 Ca -0.00 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 2pnr n ALA 40 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.52 2pnr n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnr n GLU 42 N 6.60 0.06 -0.04 0.00 2.13 -1.26 -2.54 120.64 125.59 2pnr n GLU 42 Ca -0.01 0.42 -0.13 0.00 0.66 0.00 0.00 57.16 58.10 2pnr n GLU 42 Cb 0.47 -1.65 -0.11 0.00 0.27 0.00 0.00 31.44 30.43 2pnr n GLU 42 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2pnr h LYS 43 N 0.00 -0.02 -0.59 5.31 1.57 -1.92 -2.65 116.57 118.28 2pnr h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pnr h LYS 43 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2pnr h LYS 43 CO 0.00 0.74 0.37 1.15 -0.57 0.00 0.00 179.45 181.14 2pnr h THR 44 N -0.86 1.16 -0.05 -0.16 2.02 -1.94 -1.39 112.91 111.69 2pnr h THR 44 Ca -0.00 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.86 2pnr h THR 44 Cb 0.77 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2pnr h THR 44 CO 0.00 0.16 -0.04 -1.28 0.37 0.00 0.00 175.52 174.74 2pnr h SER 45 N 0.79 -0.13 -0.46 4.18 0.87 -1.58 -0.00 113.55 117.22 2pnr h SER 45 Ca 0.21 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2pnr h SER 45 Cb -0.06 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2pnr h SER 45 CO -0.04 -0.06 0.17 0.22 -0.53 0.00 0.00 176.83 176.59 2pnr h TYR 46 N -0.05 0.77 -0.63 2.24 3.20 -1.38 -0.29 116.97 120.83 2pnr h TYR 46 Ca 0.04 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2pnr h TYR 46 Cb 0.10 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 2pnr h TYR 46 CO -0.14 0.62 0.41 0.52 -1.64 0.00 0.00 178.16 177.93 2pnr h MET 47 N 0.75 0.84 -0.04 1.82 2.86 -0.54 -1.04 114.93 119.58 2pnr h MET 47 Ca 0.17 -0.06 -0.17 0.00 -2.06 0.00 0.00 59.70 57.59 2pnr h MET 47 Cb 0.20 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.69 2pnr h MET 47 CO -0.01 0.56 -0.65 0.35 1.06 0.00 0.00 176.91 178.22 2pnr h PHE 48 N 0.86 0.72 -0.01 -0.22 3.57 -0.63 -3.35 116.94 117.87 2pnr h PHE 48 Ca 0.23 -0.37 -0.16 0.00 3.53 0.00 0.00 57.97 61.20 2pnr h PHE 48 Cb -0.08 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2pnr h PHE 48 CO -0.03 1.18 -0.73 -0.07 -2.23 0.00 0.00 178.31 176.43 2pnr h LEU 49 N 0.06 0.11 -0.35 0.59 3.38 -1.00 0.85 115.31 118.95 2pnr h LEU 49 Ca -0.07 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2pnr h LEU 49 Cb 1.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2pnr h LEU 49 CO 0.13 0.80 0.00 -2.11 0.09 0.00 0.00 178.44 177.35 2pnr n ARG 50 N -3.72 0.07 -0.07 1.13 1.85 -0.40 -1.45 116.66 114.08 2pnr n ARG 50 Ca -0.02 0.38 -0.14 0.00 -1.00 0.00 0.00 57.85 57.07 2pnr n ARG 50 Cb 0.71 -1.65 -0.05 0.00 -1.05 0.00 0.00 32.46 30.42 2pnr n ARG 50 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2pnr n LYS 51 N -1.79 0.36 -0.32 2.89 4.81 -1.16 -4.59 118.16 118.36 2pnr n LYS 51 Ca 0.02 0.15 -0.01 0.00 -0.87 0.00 0.00 58.31 57.60 2pnr n LYS 51 Cb 0.14 -1.11 0.11 0.00 0.02 0.00 0.00 35.03 34.19 2pnr n LYS 51 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2pnr h GLU 52 N -0.63 1.06 -0.09 1.64 4.57 -0.77 -2.06 114.58 118.30 2pnr h GLU 52 Ca -0.28 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 2pnr h GLU 52 Cb 1.11 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2pnr h GLU 52 CO -0.17 0.70 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.27 2pnr h LEU 53 N 1.09 0.17 -0.96 1.64 3.38 -1.48 -2.46 115.31 116.70 2pnr h LEU 53 Ca 0.35 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pnr h LEU 53 Cb 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2pnr h LEU 53 CO -0.12 0.50 0.00 1.55 0.09 0.00 0.00 178.44 180.47 2pnr h PRO 54 N -0.16 0.00 0.34 1.13 0.13 -1.74 -2.24 132.00 129.46 2pnr h PRO 54 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2pnr h PRO 54 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2pnr h PRO 54 CO 0.01 0.00 -0.16 0.28 -0.23 0.00 0.00 178.00 177.90 2pnr h VAL 55 N 0.00 0.00 -0.96 1.56 2.07 -1.20 -1.99 116.25 115.73 2pnr h VAL 55 Ca 0.00 -0.51 0.25 0.00 0.82 0.00 0.00 66.70 67.26 2pnr h VAL 55 Cb 0.41 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 2pnr h VAL 55 CO 0.00 0.00 0.65 0.03 0.02 0.00 0.00 177.57 178.27 2pnr h ARG 56 N -0.96 0.25 -0.19 1.57 3.08 -1.36 0.17 114.38 116.94 2pnr h ARG 56 Ca -0.05 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 2pnr h ARG 56 Cb 0.35 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2pnr h ARG 56 CO 0.08 0.17 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.92 2pnr h LEU 57 N 0.26 0.46 -1.25 3.04 3.38 -1.42 -2.84 115.31 116.94 2pnr h LEU 57 Ca 0.50 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2pnr h LEU 57 Cb 1.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 2pnr h LEU 57 CO -0.15 0.83 -0.30 0.00 0.09 0.00 0.00 178.44 178.90 2pnr h ALA 58 N 0.65 1.15 -0.00 1.53 0.00 -0.31 -0.60 119.26 121.68 2pnr h ALA 58 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pnr h ALA 58 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2pnr h ALA 58 CO 0.04 0.38 -0.05 0.09 0.00 0.00 0.00 179.25 179.71 2pnr n ASN 59 N -3.67 0.05 -0.12 0.00 3.02 -0.12 -2.83 115.26 111.59 2pnr n ASN 59 Ca -0.01 0.40 -0.23 0.00 -0.03 0.00 0.00 54.58 54.70 2pnr n ASN 59 Cb 0.42 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2pnr n ASN 59 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2pnr n THR 60 N -1.49 1.52 0.18 3.41 -1.04 -0.93 -4.18 114.28 111.76 2pnr n THR 60 Ca 0.07 -0.22 0.19 0.00 -2.04 0.00 0.00 64.05 62.05 2pnr n THR 60 Cb 0.33 -2.02 0.79 0.00 -1.82 0.00 0.00 70.33 67.61 2pnr n THR 60 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2pnr h MET 61 N -1.00 0.00 -0.17 -2.82 2.86 -1.23 0.12 114.93 112.69 2pnr h MET 61 Ca -0.49 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.01 2pnr h MET 61 Cb 1.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.08 2pnr h MET 61 CO -0.30 0.00 -0.43 -0.09 1.06 0.00 0.00 176.91 177.16 2pnr h ARG 62 N 0.00 0.60 0.58 1.72 9.65 -1.73 -3.09 114.38 122.11 2pnr h ARG 62 Ca 0.12 -0.41 -0.03 0.00 -1.10 0.00 0.00 59.98 58.57 2pnr h ARG 62 Cb 0.83 0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.48 2pnr h ARG 62 CO -0.00 1.03 -0.28 0.93 2.80 0.00 0.00 179.97 184.44 2pnr h GLU 63 N 0.26 -0.75 -0.98 0.20 5.08 -0.94 -2.91 114.58 114.53 2pnr h GLU 63 Ca -0.00 0.05 0.29 0.00 -1.00 0.00 0.00 59.36 58.69 2pnr h GLU 63 Cb 1.04 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 2pnr h GLU 63 CO 0.09 -0.50 1.03 -0.24 -1.00 0.00 0.00 179.01 178.39 2pnr h VAL 64 N -1.20 0.11 0.00 3.13 3.04 -1.56 1.50 116.25 121.27 2pnr h VAL 64 Ca -0.08 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 2pnr h VAL 64 Cb 0.60 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 2pnr h VAL 64 CO 0.13 0.00 0.00 -1.13 -1.01 0.00 0.00 177.57 175.56 2pnr h ASN 65 N 0.00 0.00 -0.41 3.17 -0.73 -1.42 -2.95 115.58 113.25 2pnr h ASN 65 Ca 0.47 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.64 2pnr h ASN 65 Cb 2.52 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.11 2pnr h ASN 65 CO -0.00 0.00 0.00 0.18 -0.37 0.00 0.00 177.43 177.24 2pnr n LEU 66 N -2.46 4.70 -4.84 0.34 4.32 0.51 -5.01 117.00 114.56 2pnr n LEU 66 Ca 0.02 -2.96 -0.30 0.00 -0.02 0.00 0.00 56.01 52.75 2pnr n LEU 66 Cb 0.29 -0.60 0.06 0.00 -1.62 0.00 0.00 43.42 41.54 2pnr n LEU 66 CO 0.24 0.66 0.72 -0.76 -1.22 0.00 0.00 177.39 177.03 2pnr s LEU 67 N -2.75 2.91 0.30 2.23 1.02 -1.12 -4.85 118.68 116.42 2pnr s LEU 67 Ca 0.48 1.36 -0.29 0.00 0.02 0.00 0.00 54.13 55.69 2pnr s LEU 67 Cb 0.37 -4.15 -0.11 0.00 0.02 0.00 0.00 46.19 42.32 2pnr s LEU 67 CO 0.12 -1.50 1.49 -2.84 0.02 0.00 0.00 176.35 173.64 2pnr s PRO 68 N -5.19 4.19 0.58 1.29 0.02 -1.26 -4.68 135.00 129.96 2pnr s PRO 68 Ca 0.58 2.46 0.30 0.00 0.02 0.00 0.00 61.00 64.36 2pnr s PRO 68 Cb -0.13 -3.04 1.41 0.00 0.02 0.00 0.00 34.50 32.76 2pnr s PRO 68 CO 0.54 -0.50 1.78 -0.44 -0.33 0.00 0.00 177.00 178.05 2pnr h ASP 69 N 4.32 0.00 -0.28 2.53 3.32 -1.98 0.18 116.42 124.51 2pnr h ASP 69 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 2pnr h ASP 69 Cb 1.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2pnr h ASP 69 CO 0.74 0.00 -0.14 0.78 -1.72 0.00 0.00 179.24 178.90 2pnr h ASN 70 N 0.00 0.62 0.03 6.45 -0.26 -1.99 -2.63 115.58 117.79 2pnr h ASN 70 Ca 0.34 -0.41 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 2pnr h ASN 70 Cb 1.71 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 38.80 2pnr h ASN 70 CO -0.00 0.89 -0.01 0.25 -1.06 0.00 0.00 177.43 177.49 2pnr h LEU 71 N 0.34 -0.03 -2.13 1.61 5.85 -1.06 -3.04 115.31 116.85 2pnr h LEU 71 Ca 0.06 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2pnr h LEU 71 Cb 0.66 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2pnr h LEU 71 CO 0.04 0.50 0.31 0.25 -0.34 0.00 0.00 178.44 179.20 2pnr h LEU 72 N -0.58 0.00 0.00 2.25 6.46 -1.30 -1.15 115.31 120.99 2pnr h LEU 72 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2pnr h LEU 72 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 2pnr h LEU 72 CO 0.01 0.00 -0.17 0.59 -0.62 0.00 0.00 178.44 178.24 2pnr n ASN 73 N -3.44 0.38 -4.70 1.25 5.03 -0.99 -4.27 115.26 108.51 2pnr n ASN 73 Ca 0.02 0.33 -0.42 0.00 0.87 0.00 0.00 54.58 55.38 2pnr n ASN 73 Cb 0.42 -0.35 -0.03 0.00 -1.02 0.00 0.00 39.78 38.80 2pnr n ASN 73 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2pnr s ARG 74 N -3.05 4.18 0.56 3.52 1.81 -0.44 -4.86 118.95 120.68 2pnr s ARG 74 Ca 0.12 2.43 0.33 0.00 -1.72 0.00 0.00 55.73 56.88 2pnr s ARG 74 Cb 0.16 -3.35 1.48 0.00 -0.45 0.00 0.00 34.95 32.79 2pnr s ARG 74 CO 0.60 -0.71 1.83 -1.35 -0.68 0.00 0.00 175.30 174.99 2pnr h PRO 75 N 7.56 0.00 0.00 3.54 0.11 -1.90 0.23 132.00 141.55 2pnr h PRO 75 Ca -0.43 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 2pnr h PRO 75 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2pnr h PRO 75 CO 0.93 0.00 -0.32 0.77 -0.21 0.00 0.00 178.00 179.17 2pnr h SER 76 N 0.00 0.00 0.08 -2.05 0.02 -1.89 -2.00 113.55 107.71 2pnr h SER 76 Ca 0.43 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.27 2pnr h SER 76 Cb 1.86 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.41 2pnr h SER 76 CO -0.00 0.32 -0.49 0.58 -1.14 0.00 0.00 176.83 176.09 2pnr h VAL 77 N 0.00 1.61 0.00 2.27 2.07 -0.84 -2.59 116.25 118.77 2pnr h VAL 77 Ca -0.00 -2.42 -0.03 0.00 0.82 0.00 0.00 66.70 65.06 2pnr h VAL 77 Cb 0.57 3.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 2pnr h VAL 77 CO 0.04 0.67 -0.16 1.23 0.02 0.00 0.00 177.57 179.37 2pnr h GLY 78 N -0.59 0.00 0.75 2.17 0.00 -1.51 -0.52 103.07 103.38 2pnr h GLY 78 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 2pnr h GLY 78 CO 0.09 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.61 2pnr h LEU 79 N 0.00 0.23 0.52 3.11 5.85 -1.40 -2.11 115.31 121.51 2pnr h LEU 79 Ca -0.00 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2pnr h LEU 79 Cb 0.29 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2pnr h LEU 79 CO 0.02 0.52 -0.42 0.58 -0.34 0.00 0.00 178.44 178.81 2pnr h VAL 80 N -0.07 0.16 -0.81 1.05 2.07 -0.96 -2.49 116.25 115.21 2pnr h VAL 80 Ca 0.03 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.73 2pnr h VAL 80 Cb 0.42 0.16 -0.15 0.00 -1.52 0.00 0.00 31.29 30.20 2pnr h VAL 80 CO 0.01 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.08 2pnr h GLN 81 N -0.92 0.04 -0.64 1.57 4.20 -1.11 -0.32 115.11 117.94 2pnr h GLN 81 Ca -0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2pnr h GLN 81 Cb 0.78 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2pnr h GLN 81 CO -0.01 0.03 0.41 0.66 -0.67 0.00 0.00 178.83 179.25 2pnr h SER 82 N 0.04 0.74 -0.77 1.46 4.64 -1.10 0.17 113.55 118.74 2pnr h SER 82 Ca 0.43 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 2pnr h SER 82 Cb 0.74 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 2pnr h SER 82 CO -0.77 0.56 0.44 -0.50 -0.87 0.00 0.00 176.83 175.68 2pnr h TRP 83 N 0.86 1.03 -0.09 4.77 6.55 -0.66 -0.01 115.95 128.41 2pnr h TRP 83 Ca 0.23 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.05 2pnr h TRP 83 Cb -0.07 -0.33 -0.00 0.00 -0.86 0.00 0.00 29.16 27.89 2pnr h TRP 83 CO -0.02 0.71 0.04 1.88 -1.05 0.00 0.00 178.44 179.99 2pnr h TYR 84 N 1.05 0.13 -0.13 0.49 -1.99 -0.80 -2.20 116.97 113.52 2pnr h TYR 84 Ca 0.27 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.03 2pnr h TYR 84 Cb 0.00 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.65 2pnr h TYR 84 CO -0.00 0.22 -0.14 1.98 -0.00 0.00 0.00 178.16 180.22 2pnr h MET 85 N -0.00 -0.16 0.51 4.88 4.05 -0.28 0.13 114.93 124.06 2pnr h MET 85 Ca 0.03 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2pnr h MET 85 Cb 0.14 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 2pnr h MET 85 CO -0.00 -0.11 -0.34 0.37 0.23 0.00 0.00 176.91 177.05 2pnr h GLN 86 N -0.17 -0.79 -1.00 0.39 4.15 -0.98 -0.40 115.11 116.30 2pnr h GLN 86 Ca 0.09 0.05 0.22 0.00 0.77 0.00 0.00 58.65 59.79 2pnr h GLN 86 Cb 0.31 0.18 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 2pnr h GLN 86 CO -0.23 -0.53 0.62 0.77 -1.93 0.00 0.00 178.83 177.53 2pnr h SER 87 N -0.82 0.64 -0.35 -0.69 0.02 -1.22 0.12 113.55 111.25 2pnr h SER 87 Ca -0.06 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2pnr h SER 87 Cb 0.68 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 2pnr h SER 87 CO 0.04 0.18 0.20 0.15 -1.14 0.00 0.00 176.83 176.26 2pnr h PHE 88 N 0.60 0.37 -0.01 3.45 3.57 0.59 -2.49 116.94 123.02 2pnr h PHE 88 Ca 0.59 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.89 2pnr h PHE 88 Cb 1.15 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 2pnr h PHE 88 CO -0.00 0.22 -0.88 -0.07 -2.23 0.00 0.00 178.31 175.34 2pnr h LEU 89 N 0.41 0.43 -1.42 0.59 3.38 0.70 0.11 115.31 119.52 2pnr h LEU 89 Ca 0.14 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2pnr h LEU 89 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2pnr h LEU 89 CO -0.07 1.12 0.07 -0.33 0.09 0.00 0.00 178.44 179.33 2pnr h GLU 90 N 0.20 0.46 -0.01 1.13 5.08 -0.85 -2.26 114.58 118.32 2pnr h GLU 90 Ca -0.06 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2pnr h GLU 90 Cb 1.50 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.68 2pnr h GLU 90 CO 0.15 0.43 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.05 2pnr h LEU 91 N 0.45 0.43 -1.66 1.33 3.38 -1.33 -3.19 115.31 114.72 2pnr h LEU 91 Ca 0.11 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2pnr h LEU 91 Cb 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2pnr h LEU 91 CO -0.00 1.12 0.20 0.25 0.09 0.00 0.00 178.44 180.10 2pnr h LEU 92 N -0.21 0.00 -2.28 1.67 5.85 -0.24 -2.44 115.31 117.65 2pnr h LEU 92 Ca -0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2pnr h LEU 92 Cb 1.18 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2pnr h LEU 92 CO 0.09 0.00 0.06 1.21 -0.34 0.00 0.00 178.44 179.46 2pnr n GLU 93 N -2.51 1.11 0.00 1.25 2.13 -0.90 -2.61 120.64 119.11 2pnr n GLU 93 Ca -0.02 -0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.55 2pnr n GLU 93 Cb 0.24 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 30.85 2pnr n GLU 93 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2pnr n TYR 94 N 0.48 0.00 -0.58 4.31 4.02 -0.92 -4.79 117.16 119.68 2pnr n TYR 94 Ca 0.05 0.00 0.47 0.00 -0.01 0.00 0.00 57.90 58.41 2pnr n TYR 94 Cb 0.59 0.00 0.77 0.00 -0.02 0.00 0.00 39.34 40.68 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 0.00 0.00 0.00 -0.72 4.81 -1.69 -2.43 114.58 114.55 2pnr h GLU 95 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pnr h GLU 95 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2pnr h GLU 95 CO 0.00 0.00 -0.15 0.09 -0.73 0.00 0.00 179.01 178.22 2pnr n ASN 96 N -3.88 0.74 -4.73 1.04 3.02 -1.26 -5.05 115.26 105.13 2pnr n ASN 96 Ca 0.38 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 2pnr n ASN 96 Cb 1.82 0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 41.68 2pnr n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2pnr s LYS 97 N -0.87 4.15 0.24 3.52 1.02 -0.92 -4.96 119.74 121.93 2pnr s LYS 97 Ca 0.00 2.54 -0.18 0.00 0.02 0.00 0.00 55.97 58.35 2pnr s LYS 97 Cb 0.00 -3.06 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 2pnr s LYS 97 CO 0.00 -0.66 0.71 0.45 -0.92 0.00 0.00 175.35 174.93 2pnr s SER 98 N 0.82 6.95 0.00 2.83 0.15 -1.26 -4.96 113.70 118.23 2pnr s SER 98 Ca 0.68 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2pnr s SER 98 Cb -0.48 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 2pnr s SER 98 CO 0.40 -0.03 0.65 -0.81 1.20 0.00 0.00 173.24 174.65 2pnr n PRO 99 N 0.40 0.88 -0.02 5.44 -0.04 -1.26 -4.05 135.00 136.35 2pnr n PRO 99 Ca -0.01 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.26 2pnr n PRO 99 Cb 0.52 -1.23 -0.13 0.00 -0.04 0.00 0.00 33.50 32.62 2pnr n PRO 99 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2pnr h GLU 100 N 0.06 0.17 -6.24 0.54 4.39 -1.99 -3.45 114.58 108.06 2pnr h GLU 100 Ca 0.00 -0.29 -0.55 0.00 0.34 0.00 0.00 59.36 58.86 2pnr h GLU 100 Cb 0.23 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2pnr h GLU 100 CO 0.00 1.14 0.21 0.16 -1.16 0.00 0.00 179.01 179.36 2pnr s ASP 101 N -6.82 7.19 0.00 1.42 3.84 -1.26 -4.89 116.67 116.14 2pnr s ASP 101 Ca -0.20 1.43 0.09 0.00 -0.00 0.00 0.00 52.55 53.87 2pnr s ASP 101 Cb 0.02 -2.49 0.53 0.00 -1.38 0.00 0.00 42.92 39.60 2pnr s ASP 101 CO 0.74 -0.14 0.97 -0.81 -0.00 0.00 0.00 175.17 175.93 2pnr n PRO 102 N 3.59 0.28 0.01 2.11 -0.04 -1.26 -1.37 135.00 138.32 2pnr n PRO 102 Ca 0.01 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.30 2pnr n PRO 102 Cb 0.51 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2pnr n PRO 102 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2pnr h GLN 103 N 0.00 0.29 0.70 0.54 4.15 -1.96 -2.17 115.11 116.66 2pnr h GLN 103 Ca 0.00 -0.38 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 2pnr h GLN 103 Cb 0.00 0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.82 2pnr h GLN 103 CO 0.00 1.11 -0.34 0.28 -1.93 0.00 0.00 178.83 177.96 2pnr h VAL 104 N -0.35 0.00 -0.81 2.39 2.07 -1.52 -2.34 116.25 115.69 2pnr h VAL 104 Ca -0.08 -0.08 0.20 0.00 0.82 0.00 0.00 66.70 67.56 2pnr h VAL 104 Cb 1.35 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.98 2pnr h VAL 104 CO 0.11 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.76 2pnr h LEU 105 N -1.01 -0.15 -1.29 2.57 4.07 -1.70 0.31 115.31 118.10 2pnr h LEU 105 Ca -0.10 0.19 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 2pnr h LEU 105 Cb 0.72 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 2pnr h LEU 105 CO 0.16 -0.15 -0.04 -0.78 -1.08 0.00 0.00 178.44 176.54 2pnr h ASP 106 N 0.17 0.40 1.46 -0.43 3.58 -1.37 -2.42 116.42 117.81 2pnr h ASP 106 Ca 0.48 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.80 2pnr h ASP 106 Cb 0.90 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2pnr h ASP 106 CO -0.65 0.50 -0.55 0.78 -2.88 0.00 0.00 179.24 176.44 2pnr h ASN 107 N 0.41 0.00 0.10 2.28 -0.26 0.06 -3.16 115.58 115.01 2pnr h ASN 107 Ca 0.09 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 2pnr h ASN 107 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2pnr h ASN 107 CO 0.01 0.20 -0.05 0.15 -1.06 0.00 0.00 177.43 176.68 2pnr h PHE 108 N 0.00 -0.13 -0.89 1.19 3.57 -0.57 -2.64 116.94 117.46 2pnr h PHE 108 Ca -0.02 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.64 2pnr h PHE 108 Cb 1.17 0.04 -0.16 0.00 2.79 0.00 0.00 35.95 39.79 2pnr h PHE 108 CO 0.00 0.27 -0.29 1.25 -2.23 0.00 0.00 178.31 177.31 2pnr h LEU 109 N -0.56 -1.06 -0.68 0.59 5.85 -1.49 0.92 115.31 118.88 2pnr h LEU 109 Ca -0.01 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2pnr h LEU 109 Cb 0.46 0.62 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2pnr h LEU 109 CO 0.02 -0.30 0.43 1.56 -0.34 0.00 0.00 178.44 179.82 2pnr h GLN 110 N -0.02 0.90 -0.39 1.25 1.08 -1.50 -2.21 115.11 114.21 2pnr h GLN 110 Ca 0.38 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.54 2pnr h GLN 110 Cb 0.63 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 2pnr h GLN 110 CO -0.91 0.62 0.22 0.28 -0.95 0.00 0.00 178.83 178.08 2pnr h VAL 111 N 0.92 1.02 -0.67 -0.54 2.07 -0.50 -1.10 116.25 117.45 2pnr h VAL 111 Ca 0.25 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.73 2pnr h VAL 111 Cb -0.08 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 2pnr h VAL 111 CO -0.05 0.08 0.25 -0.07 0.02 0.00 0.00 177.57 177.80 2pnr h LEU 112 N 0.45 0.23 0.34 2.57 3.38 -0.66 0.20 115.31 121.83 2pnr h LEU 112 Ca 0.16 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 2pnr h LEU 112 Cb 0.03 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2pnr h LEU 112 CO -0.09 0.12 -0.51 0.40 0.09 0.00 0.00 178.44 178.45 2pnr h ILE 113 N 0.42 0.02 -0.28 1.22 5.03 -0.80 -1.58 117.51 121.53 2pnr h ILE 113 Ca 0.35 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 65.13 2pnr h ILE 113 Cb 0.48 0.02 -0.06 0.00 -3.03 0.00 0.00 36.82 34.22 2pnr h ILE 113 CO -0.35 0.00 -0.44 0.50 -0.68 0.00 0.00 178.15 177.18 2pnr h LYS 114 N -0.90 -0.33 -0.58 2.37 3.64 0.06 -1.79 116.57 119.04 2pnr h LYS 114 Ca -0.04 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2pnr h LYS 114 Cb 0.83 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 2pnr h LYS 114 CO -0.16 -0.22 0.38 -0.39 -2.27 0.00 0.00 179.45 176.80 2pnr h VAL 115 N -0.35 1.01 -0.65 2.00 -1.51 -0.99 0.11 116.25 115.88 2pnr h VAL 115 Ca 0.05 -0.20 0.01 0.00 -1.23 0.00 0.00 66.70 65.33 2pnr h VAL 115 Cb 0.49 0.38 -0.03 0.00 -2.13 0.00 0.00 31.29 30.00 2pnr h VAL 115 CO -0.45 0.10 0.43 -0.09 -1.23 0.00 0.00 177.57 176.34 2pnr h ARG 116 N 0.58 0.85 -0.03 5.19 2.43 -0.43 0.84 114.38 123.81 2pnr h ARG 116 Ca 0.25 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2pnr h ARG 116 Cb 0.24 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2pnr h ARG 116 CO -0.07 0.57 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.98 2pnr h ASN 117 N 0.88 0.11 -0.92 -3.80 2.35 -0.91 -0.12 115.58 113.16 2pnr h ASN 117 Ca 0.24 -0.60 0.21 0.00 -0.55 0.00 0.00 56.30 55.60 2pnr h ASN 117 Cb -0.10 -0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.12 2pnr h ASN 117 CO -0.05 0.68 0.47 -0.09 -1.65 0.00 0.00 177.43 176.79 2pnr h ARG 118 N -0.47 0.51 0.00 0.81 2.43 -0.55 -0.19 114.38 116.93 2pnr h ARG 118 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2pnr h ARG 118 Cb 0.67 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2pnr h ARG 118 CO 0.01 0.34 -0.52 0.45 -1.51 0.00 0.00 179.97 178.74 2pnr h HIS 119 N 0.53 0.00 -0.98 2.20 3.86 -0.80 -3.38 115.15 116.58 2pnr h HIS 119 Ca 0.56 0.00 0.41 0.00 -1.16 0.00 0.00 60.37 60.18 2pnr h HIS 119 Cb 0.99 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.28 2pnr h HIS 119 CO -0.08 0.00 0.54 -1.71 0.86 0.00 0.00 177.93 177.53 2pnr n ASN 120 N -2.29 0.33 -2.19 2.45 2.85 -0.06 -0.44 115.26 115.91 2pnr n ASN 120 Ca 0.03 1.60 -0.30 0.00 -0.11 0.00 0.00 54.58 55.80 2pnr n ASN 120 Cb 0.46 -0.78 0.06 0.00 1.24 0.00 0.00 39.78 40.76 2pnr n ASN 120 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2pnr n ASP 121 N -5.17 6.55 -0.03 1.20 5.75 -1.26 -4.57 116.55 119.02 2pnr n ASP 121 Ca 0.37 -3.77 -0.20 0.00 -0.01 0.00 0.00 54.79 51.18 2pnr n ASP 121 Cb 1.26 -0.73 -0.13 0.00 -1.03 0.00 0.00 41.12 40.49 2pnr n ASP 121 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2pnr h VAL 122 N 1.45 1.24 -0.26 2.12 2.07 -1.04 -3.22 116.25 118.60 2pnr h VAL 122 Ca 0.51 -2.36 0.06 0.00 0.82 0.00 0.00 66.70 65.73 2pnr h VAL 122 Cb 1.12 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 33.66 2pnr h VAL 122 CO 1.26 0.60 -0.09 0.58 0.02 0.00 0.00 177.57 179.95 2pnr h VAL 123 N -0.61 0.69 -0.05 2.57 2.07 -1.80 0.13 116.25 119.25 2pnr h VAL 123 Ca -0.23 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2pnr h VAL 123 Cb 1.49 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2pnr h VAL 123 CO 0.00 0.00 -0.26 -0.65 0.02 0.00 0.00 177.57 176.68 2pnr h PRO 124 N -0.03 -0.36 -0.84 1.57 0.11 -1.87 -1.60 132.00 128.98 2pnr h PRO 124 Ca 0.13 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2pnr h PRO 124 Cb 0.23 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.38 2pnr h PRO 124 CO -0.29 -0.24 0.50 1.15 -0.21 0.00 0.00 178.00 178.91 2pnr h THR 125 N -0.37 1.23 0.77 -1.15 2.02 -1.49 -2.52 112.91 111.39 2pnr h THR 125 Ca 0.08 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 2pnr h THR 125 Cb 0.48 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2pnr h THR 125 CO -0.26 0.25 -0.50 -0.03 0.37 0.00 0.00 175.52 175.35 2pnr h MET 126 N 1.15 -1.15 -1.09 6.66 -1.53 -0.35 -0.55 114.93 118.07 2pnr h MET 126 Ca 0.30 0.08 0.30 0.00 -3.44 0.00 0.00 59.70 56.94 2pnr h MET 126 Cb -0.04 0.26 -0.07 0.00 -0.55 0.00 0.00 31.60 31.20 2pnr h MET 126 CO -0.06 -0.77 0.74 0.00 0.14 0.00 0.00 176.91 176.97 2pnr h ALA 127 N -1.15 2.65 -0.26 0.39 0.00 -1.23 0.26 119.26 119.92 2pnr h ALA 127 Ca -0.10 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2pnr h ALA 127 Cb 0.96 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2pnr h ALA 127 CO 0.09 -1.02 -0.42 0.37 0.00 0.00 0.00 179.25 178.27 2pnr h GLN 128 N 0.20 0.74 0.00 0.00 5.75 -0.91 -2.67 115.11 118.21 2pnr h GLN 128 Ca 0.57 -0.45 -0.08 0.00 -0.15 0.00 0.00 58.65 58.55 2pnr h GLN 128 Cb 1.85 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.43 2pnr h GLN 128 CO -0.16 1.07 -0.36 0.78 -2.65 0.00 0.00 178.83 177.52 2pnr h GLY 129 N 0.47 0.00 0.26 2.39 0.00 0.11 -1.61 103.07 104.70 2pnr h GLY 129 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2pnr h GLY 129 CO 0.10 0.00 -0.08 -0.39 0.00 0.00 0.00 176.54 176.17 2pnr h VAL 130 N 0.00 1.62 -0.03 4.60 -1.51 -1.30 -3.11 116.25 116.52 2pnr h VAL 130 Ca -0.00 -1.93 0.02 0.00 -1.23 0.00 0.00 66.70 63.56 2pnr h VAL 130 Cb 0.67 2.91 -0.02 0.00 -2.13 0.00 0.00 31.29 32.71 2pnr h VAL 130 CO 0.05 0.51 -0.09 0.40 -1.23 0.00 0.00 177.57 177.20 2pnr h ILE 131 N -0.72 0.75 0.00 7.19 2.04 -1.46 0.57 117.51 125.88 2pnr h ILE 131 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2pnr h ILE 131 Cb 0.88 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2pnr h ILE 131 CO 0.02 0.00 0.11 1.21 0.00 0.00 0.00 178.15 179.49 2pnr n GLU 132 N -5.22 0.00 -0.08 2.37 2.13 -0.61 -0.70 120.64 118.53 2pnr n GLU 132 Ca -0.05 0.35 -0.09 0.00 0.66 0.00 0.00 57.16 58.03 2pnr n GLU 132 Cb 0.15 -1.61 -0.11 0.00 0.27 0.00 0.00 31.44 30.13 2pnr n GLU 132 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2pnr n TYR 133 N -1.34 0.00 0.36 4.31 4.19 0.02 -4.22 117.16 120.48 2pnr n TYR 133 Ca 0.00 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.07 2pnr n TYR 133 Cb 0.11 -0.74 -0.07 0.00 0.49 0.00 0.00 39.34 39.13 2pnr n TYR 133 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 2pnr h LYS 134 N 0.00 -0.89 -1.22 2.98 3.64 0.79 -0.82 116.57 121.06 2pnr h LYS 134 Ca -0.42 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 2pnr h LYS 134 Cb 1.86 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.87 2pnr h LYS 134 CO -0.00 -0.59 0.03 -0.85 -2.27 0.00 0.00 179.45 175.77 2pnr n GLU 135 N -4.83 1.06 0.00 1.90 0.28 -0.90 -2.79 120.64 115.36 2pnr n GLU 135 Ca -0.11 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 2pnr n GLU 135 Cb 0.36 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 32.18 2pnr n GLU 135 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2pnr n LYS 136 N 0.65 1.99 0.04 3.44 4.81 -1.18 -5.01 118.16 122.90 2pnr n LYS 136 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2pnr n LYS 136 Cb 0.54 -0.17 0.00 0.00 0.02 0.00 0.00 35.03 35.42 2pnr n LYS 136 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2pnr n PHE 137 N 0.00 -0.62 0.00 5.64 3.01 -0.32 -5.03 117.46 120.15 2pnr n PHE 137 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2pnr n PHE 137 Cb 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 2pnr n PHE 137 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnr n GLY 138 N 1.69 1.57 0.00 1.37 0.00 -1.21 -5.00 105.19 103.61 2pnr n GLY 138 Ca 0.00 0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2pnr n GLY 138 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pnr n PHE 139 N -0.07 0.00 -0.65 1.61 3.72 -1.26 -4.91 117.46 115.90 2pnr n PHE 139 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 2pnr n PHE 139 Cb 0.00 -0.04 0.18 0.00 -0.94 0.00 0.00 39.48 38.68 2pnr n PHE 139 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2pnr n ASP 140 N -1.04 -0.97 0.00 4.37 3.85 -1.26 -4.93 116.55 116.57 2pnr n ASP 140 Ca 0.16 0.21 0.00 0.00 -0.71 0.00 0.00 54.79 54.45 2pnr n ASP 140 Cb 0.09 -1.31 0.00 0.00 -1.35 0.00 0.00 41.12 38.55 2pnr n ASP 140 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 2pnr n PRO 141 N -3.61 0.00 -0.35 0.11 -0.04 -1.26 -3.18 135.00 126.67 2pnr n PRO 141 Ca 0.08 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.77 2pnr n PRO 141 Cb 0.54 -0.62 0.47 0.00 -0.04 0.00 0.00 33.50 33.85 2pnr n PRO 141 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pnr h PHE 142 N 0.00 0.88 -0.65 0.54 -5.15 -1.99 0.61 116.94 111.19 2pnr h PHE 142 Ca 0.00 0.03 -0.03 0.00 -0.20 0.00 0.00 57.97 57.78 2pnr h PHE 142 Cb 0.00 -0.24 -0.03 0.00 0.22 0.00 0.00 35.95 35.90 2pnr h PHE 142 CO 0.00 -0.09 0.29 0.82 -2.00 0.00 0.00 178.31 177.34 2pnr h ILE 143 N 0.38 1.22 0.00 0.88 2.04 -1.97 -2.08 117.51 117.97 2pnr h ILE 143 Ca 0.70 -0.63 -0.19 0.00 1.00 0.00 0.00 64.86 65.74 2pnr h ILE 143 Cb 1.62 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 2pnr h ILE 143 CO -0.52 0.26 -0.90 -1.28 0.00 0.00 0.00 178.15 175.72 2pnr h SER 144 N 0.92 0.00 0.86 1.72 0.87 0.22 -2.70 113.55 115.45 2pnr h SER 144 Ca 0.22 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 2pnr h SER 144 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2pnr h SER 144 CO -0.03 0.90 -0.28 0.71 -0.53 0.00 0.00 176.83 177.60 2pnr h THR 145 N 0.00 0.70 0.75 2.23 1.35 -1.02 -2.85 112.91 114.07 2pnr h THR 145 Ca -0.01 -1.25 -0.04 0.00 -0.55 0.00 0.00 66.41 64.56 2pnr h THR 145 Cb 1.64 1.81 0.01 0.00 -1.73 0.00 0.00 68.15 69.88 2pnr h THR 145 CO 0.12 0.28 -0.36 0.78 -0.25 0.00 0.00 175.52 176.08 2pnr h ASN 146 N 0.00 -0.86 -1.02 5.36 4.21 -1.19 -2.63 115.58 119.46 2pnr h ASN 146 Ca -0.00 0.03 0.26 0.00 1.21 0.00 0.00 56.30 57.79 2pnr h ASN 146 Cb 0.79 0.22 -0.09 0.00 -1.12 0.00 0.00 38.32 38.12 2pnr h ASN 146 CO 0.04 -0.49 0.66 0.40 -1.29 0.00 0.00 177.43 176.74 2pnr h ILE 147 N -1.25 0.55 0.22 2.81 2.04 -1.44 0.27 117.51 120.70 2pnr h ILE 147 Ca -0.10 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2pnr h ILE 147 Cb 0.77 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2pnr h ILE 147 CO 0.17 0.08 -0.15 -0.61 0.00 0.00 0.00 178.15 177.63 2pnr h GLN 148 N 0.41 -0.36 -0.61 2.37 5.75 -1.43 -0.06 115.11 121.19 2pnr h GLN 148 Ca 0.58 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 59.22 2pnr h GLN 148 Cb 1.44 0.08 -0.09 0.00 1.07 0.00 0.00 27.48 29.98 2pnr h GLN 148 CO -0.29 -0.24 0.14 -0.92 -2.65 0.00 0.00 178.83 174.87 2pnr h TYR 149 N -0.37 0.22 0.26 3.99 3.20 -0.18 -1.57 116.97 122.52 2pnr h TYR 149 Ca -0.02 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2pnr h TYR 149 Cb 0.32 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 2pnr h TYR 149 CO -0.10 -0.02 -0.13 0.35 -1.64 0.00 0.00 178.16 176.62 2pnr h PHE 150 N 0.27 -0.33 -0.89 -3.82 3.57 -0.67 -3.17 116.94 111.91 2pnr h PHE 150 Ca 0.32 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 2pnr h PHE 150 Cb 0.47 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 2pnr h PHE 150 CO -0.24 -0.14 0.52 -0.07 -2.23 0.00 0.00 178.31 176.15 2pnr h LEU 151 N -0.44 1.08 -0.39 0.59 3.38 -0.46 0.47 115.31 119.54 2pnr h LEU 151 Ca -0.04 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.92 2pnr h LEU 151 Cb 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2pnr h LEU 151 CO 0.06 0.84 0.07 0.44 0.09 0.00 0.00 178.44 179.94 2pnr h ASP 152 N 1.23 0.00 -0.21 -0.43 3.45 -1.35 0.85 116.42 119.96 2pnr h ASP 152 Ca 0.32 0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.76 2pnr h ASP 152 Cb -0.03 0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2pnr h ASP 152 CO -0.06 0.04 -0.18 0.03 -1.57 0.00 0.00 179.24 177.50 2pnr h ARG 153 N 0.20 0.50 0.21 3.56 3.08 -1.45 -0.67 114.38 119.80 2pnr h ARG 153 Ca 0.19 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2pnr h ARG 153 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2pnr h ARG 153 CO -0.25 0.83 -0.19 0.35 -1.07 0.00 0.00 179.97 179.64 2pnr h PHE 154 N 0.18 -0.50 -0.39 3.04 3.57 0.31 -0.84 116.94 122.31 2pnr h PHE 154 Ca 0.04 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2pnr h PHE 154 Cb 0.72 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2pnr h PHE 154 CO 0.08 -0.29 0.06 1.88 -2.23 0.00 0.00 178.31 177.80 2pnr h TYR 155 N -0.43 0.69 -0.62 0.41 0.05 -0.89 -1.89 116.97 114.29 2pnr h TYR 155 Ca -0.00 -0.10 0.05 0.00 0.05 0.00 0.00 58.73 58.73 2pnr h TYR 155 Cb 0.39 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 2pnr h TYR 155 CO -0.14 0.69 0.35 1.15 -1.05 0.00 0.00 178.16 179.16 2pnr h THR 156 N 0.49 0.99 -0.21 -2.88 2.02 -1.00 0.31 112.91 112.63 2pnr h THR 156 Ca 0.12 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.10 2pnr h THR 156 Cb 0.38 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 2pnr h THR 156 CO 0.01 0.12 0.05 -1.13 0.37 0.00 0.00 175.52 174.93 2pnr h ASN 157 N 0.66 0.02 -0.27 4.18 -1.24 -1.00 0.20 115.58 118.13 2pnr h ASN 157 Ca 0.27 0.03 0.06 0.00 0.71 0.00 0.00 56.30 57.37 2pnr h ASN 157 Cb 0.13 0.04 -0.06 0.00 0.73 0.00 0.00 38.32 39.16 2pnr h ASN 157 CO -0.16 0.04 -0.15 0.03 -1.29 0.00 0.00 177.43 175.91 2pnr h ARG 158 N 0.13 -0.11 -0.56 6.67 2.47 -0.43 0.39 114.38 122.95 2pnr h ARG 158 Ca 0.10 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.93 2pnr h ARG 158 Cb 0.09 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.35 2pnr h ARG 158 CO -0.12 -0.08 0.08 0.82 0.56 0.00 0.00 179.97 181.24 2pnr h ILE 159 N -0.12 0.64 -0.58 2.04 2.04 0.22 -0.74 117.51 121.01 2pnr h ILE 159 Ca 0.15 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.86 2pnr h ILE 159 Cb 0.34 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2pnr h ILE 159 CO -0.35 0.04 0.09 0.77 0.00 0.00 0.00 178.15 178.70 2pnr h SER 160 N 0.21 0.89 -0.24 1.72 4.64 0.59 -2.39 113.55 118.98 2pnr h SER 160 Ca 0.29 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.43 2pnr h SER 160 Cb 0.43 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2pnr h SER 160 CO -0.40 0.90 0.09 0.15 -0.87 0.00 0.00 176.83 176.70 2pnr h PHE 161 N 0.89 0.17 -0.42 4.77 3.57 0.12 -1.93 116.94 124.10 2pnr h PHE 161 Ca 0.18 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 2pnr h PHE 161 Cb 0.39 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2pnr h PHE 161 CO 0.02 0.09 -0.09 -0.09 -2.23 0.00 0.00 178.31 176.02 2pnr h ARG 162 N 0.21 0.73 -0.68 1.11 2.43 -1.24 -2.36 114.38 114.60 2pnr h ARG 162 Ca 0.10 -0.23 0.09 0.00 -0.81 0.00 0.00 59.98 59.13 2pnr h ARG 162 Cb 0.05 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.47 2pnr h ARG 162 CO -0.09 0.80 0.32 1.98 -1.51 0.00 0.00 179.97 181.47 2pnr h MET 163 N 0.67 0.54 -0.22 0.20 4.05 -0.88 0.15 114.93 119.45 2pnr h MET 163 Ca 0.12 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.44 2pnr h MET 163 Cb 0.54 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 2pnr h MET 163 CO 0.03 0.36 -0.12 -0.07 0.23 0.00 0.00 176.91 177.34 2pnr h LEU 164 N 0.56 0.48 -0.46 3.39 3.38 -1.15 -2.94 115.31 118.57 2pnr h LEU 164 Ca 0.33 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2pnr h LEU 164 Cb 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2pnr h LEU 164 CO -0.27 0.79 0.05 0.40 0.09 0.00 0.00 178.44 179.50 2pnr h ILE 165 N 0.16 1.25 -0.91 1.22 2.04 -0.95 -2.80 117.51 117.52 2pnr h ILE 165 Ca 0.05 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.00 2pnr h ILE 165 Cb 0.62 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2pnr h ILE 165 CO 0.03 0.33 0.58 0.78 0.00 0.00 0.00 178.15 179.88 2pnr h ASN 166 N 0.64 0.94 -0.67 1.72 4.21 -0.76 0.06 115.58 121.72 2pnr h ASN 166 Ca 0.14 0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.57 2pnr h ASN 166 Cb 0.43 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.41 2pnr h ASN 166 CO 0.01 0.61 0.11 1.56 -1.29 0.00 0.00 177.43 178.44 2pnr h GLN 167 N 1.08 1.11 -0.10 0.81 1.08 -1.42 -0.56 115.11 117.11 2pnr h GLN 167 Ca 0.39 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 57.22 2pnr h GLN 167 Cb 0.12 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2pnr h GLN 167 CO -0.16 1.01 -0.24 1.25 -0.95 0.00 0.00 178.83 179.74 2pnr h HIS 168 N 1.04 0.43 -0.27 2.96 2.76 -1.11 -1.61 115.15 119.34 2pnr h HIS 168 Ca 0.20 -0.17 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2pnr h HIS 168 Cb 0.44 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2pnr h HIS 168 CO 0.03 0.86 -0.04 1.79 -1.30 0.00 0.00 177.93 179.27 2pnr h THR 169 N -0.12 1.27 -0.66 6.26 1.35 -0.99 0.71 112.91 120.73 2pnr h THR 169 Ca -0.00 -1.02 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 2pnr h THR 169 Cb 0.85 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 2pnr h THR 169 CO 0.05 0.32 0.17 -0.07 -0.25 0.00 0.00 175.52 175.75 2pnr h LEU 170 N 0.28 0.97 -0.29 3.87 3.38 -1.19 0.45 115.31 122.77 2pnr h LEU 170 Ca 0.07 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 2pnr h LEU 170 Cb 0.49 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2pnr h LEU 170 CO 0.02 0.93 -0.66 -0.07 0.09 0.00 0.00 178.44 178.75 2pnr h LEU 171 N 0.99 0.85 -0.15 1.67 3.38 -1.10 -3.40 115.31 117.56 2pnr h LEU 171 Ca 0.21 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2pnr h LEU 171 Cb 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2pnr h LEU 171 CO -0.00 1.29 -0.06 0.49 0.09 0.00 0.00 178.44 180.25 2pnr n PHE 172 N -3.95 0.00 1.04 1.13 3.72 0.22 -4.46 117.46 115.17 2pnr n PHE 172 Ca -0.05 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.45 2pnr n PHE 172 Cb 0.68 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.76 2pnr n PHE 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pnr n GLY 173 N 0.90 -0.90 3.20 1.37 0.00 0.16 -4.87 105.19 105.04 2pnr n GLY 173 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2pnr n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnr n GLY 174 N 0.43 -0.42 3.51 -0.02 0.00 -1.26 -4.77 105.19 102.66 2pnr n GLY 174 Ca 0.11 0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2pnr n GLY 174 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pnr n ASP 175 N -1.73 2.12 -0.08 1.61 2.03 -1.26 -4.78 116.55 114.46 2pnr n ASP 175 Ca 0.05 0.08 -0.00 0.00 0.52 0.00 0.00 54.79 55.44 2pnr n ASP 175 Cb 0.44 -1.36 0.01 0.00 -0.72 0.00 0.00 41.12 39.49 2pnr n ASP 175 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pnr n THR 176 N 7.56 -0.11 -3.65 5.18 -2.24 -1.26 -3.13 114.28 116.64 2pnr n THR 176 Ca 0.42 0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 62.31 2pnr n THR 176 Cb 0.33 -0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 2pnr n THR 176 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2pnr s ASN 177 N -5.08 5.52 0.02 3.42 3.04 -1.26 -5.07 114.94 115.53 2pnr s ASN 177 Ca -0.03 -2.50 -0.30 0.00 0.04 0.00 0.00 52.86 50.07 2pnr s ASN 177 Cb 0.04 -1.93 -0.07 0.00 -1.54 0.00 0.00 41.25 37.76 2pnr s ASN 177 CO 0.15 -0.49 1.62 -2.84 -3.04 0.00 0.00 177.10 172.50 2pnr s PRO 178 N 0.47 4.20 0.17 0.43 0.02 -1.18 -4.94 135.00 134.17 2pnr s PRO 178 Ca 0.13 2.23 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 2pnr s PRO 178 Cb -0.21 -3.74 0.10 0.00 0.02 0.00 0.00 34.50 30.67 2pnr s PRO 178 CO -0.04 -0.75 1.66 0.28 -0.33 0.00 0.00 177.00 177.83 2pnr h VAL 179 N 5.10 0.57 -3.47 3.83 2.07 -1.97 -3.32 116.25 119.06 2pnr h VAL 179 Ca -0.41 0.00 -0.71 0.00 0.82 0.00 0.00 66.70 66.41 2pnr h VAL 179 Cb 1.19 0.57 -0.33 0.00 -1.52 0.00 0.00 31.29 31.20 2pnr h VAL 179 CO 0.93 0.00 -0.44 -1.00 0.02 0.00 0.00 177.57 177.08 2pnr s HIS 180 N -6.21 3.51 0.28 1.57 3.76 -1.26 -5.00 115.29 111.95 2pnr s HIS 180 Ca -0.14 -2.35 0.35 0.00 -0.15 0.00 0.00 55.06 52.77 2pnr s HIS 180 Cb 0.14 -3.30 1.63 0.00 1.11 0.00 0.00 32.58 32.16 2pnr s HIS 180 CO 0.71 -0.95 2.09 -1.35 -0.85 0.00 0.00 174.74 174.39 2pnr h PRO 181 N 7.88 0.00 0.00 8.40 0.11 -2.00 -3.27 132.00 143.12 2pnr h PRO 181 Ca -0.11 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 2pnr h PRO 181 Cb 1.03 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2pnr h PRO 181 CO 0.74 0.03 -2.11 1.63 -0.21 0.00 0.00 178.00 178.08 2pnr n LYS 182 N -3.17 0.69 -1.37 1.05 4.01 -1.26 -5.00 118.16 113.11 2pnr n LYS 182 Ca -0.01 -0.13 -0.34 0.00 -0.51 0.00 0.00 58.31 57.32 2pnr n LYS 182 Cb 0.25 -1.51 0.10 0.00 -0.51 0.00 0.00 35.03 33.36 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 -3.13 2.01 -0.61 2.13 3.76 -1.24 -4.82 115.29 113.40 2pnr s HIS 183 Ca -0.08 1.61 -0.02 0.00 -0.15 0.00 0.00 55.06 56.41 2pnr s HIS 183 Cb 0.11 -3.47 0.16 0.00 1.11 0.00 0.00 32.58 30.49 2pnr s HIS 183 CO 0.86 -2.65 0.42 0.42 -0.85 0.00 0.00 174.74 172.94 2pnr s ILE 184 N -2.03 3.61 0.00 0.60 -1.09 -0.22 -4.95 121.20 117.13 2pnr s ILE 184 Ca 0.74 -2.95 0.00 0.00 -2.23 0.00 0.00 60.65 56.21 2pnr s ILE 184 Cb -0.29 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2pnr s ILE 184 CO 0.46 -0.86 0.00 0.61 -1.23 0.00 0.00 174.94 173.92 2pnr n GLY 185 N 3.50 2.59 0.51 6.18 0.00 -1.26 -1.94 105.19 114.77 2pnr n GLY 185 Ca 0.07 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 8.70 2.04 -4.66 1.61 3.41 -1.26 -4.95 113.62 118.51 2pnr n SER 186 Ca 0.00 -1.52 -0.40 0.00 -0.26 0.00 0.00 58.87 56.69 2pnr n SER 186 Cb 0.00 0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 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 -2.35 5.03 -0.45 -1.33 1.01 -0.82 -4.19 121.20 118.10 2pnr s ILE 187 Ca 0.18 1.17 -0.22 0.00 0.00 0.00 0.00 60.65 61.79 2pnr s ILE 187 Cb 0.17 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.73 2pnr s ILE 187 CO 0.53 0.12 0.72 -0.62 0.00 0.00 0.00 174.94 175.68 2pnr s ASP 188 N 1.18 6.36 0.38 3.58 -1.08 -0.30 -1.05 116.67 125.72 2pnr s ASP 188 Ca 0.29 -0.27 0.09 0.00 -0.52 0.00 0.00 52.55 52.13 2pnr s ASP 188 Cb -0.16 -2.35 0.76 0.00 -1.46 0.00 0.00 42.92 39.71 2pnr s ASP 188 CO 0.10 -0.86 1.91 1.55 0.52 0.00 0.00 175.17 178.39 2pnr h PRO 189 N 8.95 0.29 -2.27 4.34 0.13 -1.85 -3.02 132.00 138.57 2pnr h PRO 189 Ca -0.25 -0.06 -0.59 0.00 -0.87 0.00 0.00 66.00 64.22 2pnr h PRO 189 Cb 1.09 -0.04 -0.42 0.00 0.13 0.00 0.00 31.00 31.76 2pnr h PRO 189 CO 0.93 0.40 -0.62 -2.37 -0.23 0.00 0.00 178.00 176.11 2pnr n THR 190 N -4.28 2.95 -2.80 1.56 5.66 -1.26 -4.24 114.28 111.87 2pnr n THR 190 Ca -0.00 -5.52 -0.42 0.00 -3.05 0.00 0.00 64.05 55.06 2pnr n THR 190 Cb 0.26 -1.55 -0.03 0.00 -1.55 0.00 0.00 70.33 67.46 2pnr n THR 190 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pnr s ASN 192 N 1.20 6.35 0.23 0.00 2.47 -1.26 -0.43 114.94 123.50 2pnr s ASN 192 Ca 0.40 -0.31 -0.07 0.00 0.42 0.00 0.00 52.86 53.31 2pnr s ASN 192 Cb -0.16 -2.44 0.27 0.00 -1.45 0.00 0.00 41.25 37.46 2pnr s ASN 192 CO 0.10 -1.22 1.88 0.58 -3.72 0.00 0.00 177.10 174.72 2pnr h VAL 193 N 6.03 1.14 -0.86 -5.21 2.07 -1.83 -1.88 116.25 115.72 2pnr h VAL 193 Ca -0.26 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 66.92 2pnr h VAL 193 Cb 1.07 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2pnr h VAL 193 CO 1.09 0.20 0.57 0.00 0.02 0.00 0.00 177.57 179.44 2pnr h ALA 194 N 1.36 1.45 -0.02 1.67 0.00 -1.91 -1.79 119.26 120.02 2pnr h ALA 194 Ca 0.35 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2pnr h ALA 194 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2pnr h ALA 194 CO -0.12 0.47 0.00 -0.44 0.00 0.00 0.00 179.25 179.17 2pnr h ASP 195 N 1.09 0.03 0.12 0.00 3.32 -1.74 -2.07 116.42 117.17 2pnr h ASP 195 Ca 0.34 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2pnr h ASP 195 Cb 0.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2pnr h ASP 195 CO -0.10 0.29 -0.05 0.58 -1.72 0.00 0.00 179.24 178.25 2pnr h VAL 196 N -0.24 0.62 -0.06 -1.35 2.07 -1.15 -2.01 116.25 114.12 2pnr h VAL 196 Ca 0.00 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2pnr h VAL 196 Cb 0.28 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2pnr h VAL 196 CO 0.00 0.05 -0.17 0.58 0.02 0.00 0.00 177.57 178.05 2pnr h VAL 197 N 0.00 1.43 -0.55 2.57 2.07 -1.10 -1.80 116.25 118.87 2pnr h VAL 197 Ca -0.00 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 2pnr h VAL 197 Cb 0.13 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2pnr h VAL 197 CO 0.01 0.43 0.20 0.11 0.02 0.00 0.00 177.57 178.34 2pnr h LYS 198 N -0.27 0.80 0.11 1.57 1.57 -0.73 -0.68 116.57 118.93 2pnr h LYS 198 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2pnr h LYS 198 Cb 0.78 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2pnr h LYS 198 CO 0.04 0.67 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.09 2pnr h ASP 199 N 0.78 -0.13 -0.87 0.86 3.32 -1.43 0.41 116.42 119.37 2pnr h ASP 199 Ca 0.19 -0.41 0.22 0.00 0.02 0.00 0.00 57.03 57.05 2pnr h ASP 199 Cb 0.18 0.03 -0.13 0.00 0.22 0.00 0.00 39.33 39.63 2pnr h ASP 199 CO -0.01 0.39 0.31 0.00 -1.72 0.00 0.00 179.24 178.20 2pnr h ALA 200 N 0.06 1.33 0.28 3.45 0.00 -1.17 -1.34 119.26 121.87 2pnr h ALA 200 Ca -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pnr h ALA 200 Cb 0.53 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2pnr h ALA 200 CO 0.03 -0.40 -0.14 -0.92 0.00 0.00 0.00 179.25 177.82 2pnr h TYR 201 N 0.30 -0.35 -0.88 0.00 3.20 -0.97 -2.82 116.97 115.45 2pnr h TYR 201 Ca 0.55 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.64 2pnr h TYR 201 Cb 1.06 0.12 -0.15 0.00 1.54 0.00 0.00 36.73 39.30 2pnr h TYR 201 CO -0.20 -0.01 0.10 0.93 -1.64 0.00 0.00 178.16 177.34 2pnr h GLU 202 N -0.77 0.11 0.00 1.82 4.39 0.88 0.67 114.58 121.68 2pnr h GLU 202 Ca -0.04 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 2pnr h GLU 202 Cb 0.50 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2pnr h GLU 202 CO 0.06 0.07 -0.82 1.79 -1.16 0.00 0.00 179.01 178.95 2pnr h THR 203 N 0.11 1.55 0.00 1.13 1.35 -1.33 -1.37 112.91 114.35 2pnr h THR 203 Ca 0.53 -2.70 -0.09 0.00 -0.55 0.00 0.00 66.41 63.60 2pnr h THR 203 Cb 1.04 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.92 2pnr h THR 203 CO -0.74 0.78 -0.42 0.00 -0.25 0.00 0.00 175.52 174.88 2pnr h ALA 204 N 1.13 1.01 -0.10 6.62 0.00 -0.85 -2.80 119.26 124.27 2pnr h ALA 204 Ca -0.02 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2pnr h ALA 204 Cb 1.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2pnr h ALA 204 CO 0.11 0.52 -0.20 -0.22 0.00 0.00 0.00 179.25 179.47 2pnr h LYS 205 N 0.00 0.31 -1.00 0.00 3.64 -0.66 -1.03 116.57 117.83 2pnr h LYS 205 Ca -0.00 -0.20 0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2pnr h LYS 205 Cb 0.92 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.69 2pnr h LYS 205 CO 0.05 0.80 0.64 1.98 -2.27 0.00 0.00 179.45 180.65 2pnr h MET 206 N -0.14 1.07 -0.08 1.90 4.05 -1.18 0.64 114.93 121.20 2pnr h MET 206 Ca 0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2pnr h MET 206 Cb 0.79 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2pnr h MET 206 CO 0.04 0.71 0.01 -0.07 0.23 0.00 0.00 176.91 177.83 2pnr h LEU 207 N 1.10 0.13 0.28 3.39 3.38 -1.45 -1.94 115.31 120.20 2pnr h LEU 207 Ca 0.46 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2pnr h LEU 207 Cb 0.30 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 2pnr h LEU 207 CO -0.21 0.38 -0.48 0.00 0.09 0.00 0.00 178.44 178.22 2pnr n GLU 209 N -5.51 -0.10 0.02 0.00 4.07 0.21 0.80 120.64 120.14 2pnr n GLU 209 Ca -0.10 1.49 -0.09 0.00 -0.06 0.00 0.00 57.16 58.41 2pnr n GLU 209 Cb 0.42 -2.23 0.06 0.00 -0.06 0.00 0.00 31.44 29.63 2pnr n GLU 209 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2pnr h GLN 210 N 0.00 0.50 0.00 5.31 1.08 -0.92 0.81 115.11 121.89 2pnr h GLN 210 Ca 0.45 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2pnr h GLN 210 Cb 0.69 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2pnr h GLN 210 CO -0.98 0.94 -1.02 0.66 -0.95 0.00 0.00 178.83 177.47 2pnr n TYR 211 N -3.93 0.03 0.00 2.96 4.02 -0.29 -4.48 117.16 115.46 2pnr n TYR 211 Ca -0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 2pnr n TYR 211 Cb 0.63 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 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 -1.61 0.00 -1.02 -0.72 4.01 0.24 -4.98 117.16 113.08 2pnr n TYR 212 Ca 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 2pnr n TYR 212 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.39 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 0.82 -3.95 7.72 4.77 0.28 -4.90 117.00 121.13 2pnr n LEU 213 Ca 0.00 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 2pnr n LEU 213 Cb 0.00 -2.28 -0.09 0.00 -2.33 0.00 0.00 43.42 38.72 2pnr n LEU 213 CO 0.00 -0.89 -0.21 -0.69 -1.33 0.00 0.00 177.39 174.27 2pnr s VAL 214 N -1.16 0.16 -0.28 4.08 1.01 -1.26 -4.96 120.40 118.00 2pnr s VAL 214 Ca 0.00 -1.35 -0.24 0.00 0.00 0.00 0.00 61.98 60.39 2pnr s VAL 214 Cb 0.00 -1.27 0.13 0.00 0.00 0.00 0.00 36.38 35.24 2pnr s VAL 214 CO 0.00 -0.75 1.04 0.00 0.00 0.00 0.00 175.10 175.40 2pnr s ALA 215 N -3.53 -2.03 0.15 5.51 0.00 -1.26 -3.75 121.76 116.85 2pnr s ALA 215 Ca 0.03 1.92 -0.30 0.00 0.00 0.00 0.00 51.96 53.61 2pnr s ALA 215 Cb 0.04 -1.50 -0.08 0.00 0.00 0.00 0.00 23.12 21.58 2pnr s ALA 215 CO -0.09 -0.25 1.29 -2.14 0.00 0.00 0.00 175.76 174.57 2pnr s PRO 216 N 0.40 4.40 1.09 0.00 0.02 -1.26 -4.94 135.00 134.70 2pnr s PRO 216 Ca 0.01 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 62.88 2pnr s PRO 216 Cb -0.05 -3.25 0.24 0.00 0.02 0.00 0.00 34.50 31.47 2pnr s PRO 216 CO -0.08 -0.27 1.06 -1.21 -0.33 0.00 0.00 177.00 176.16 2pnr s GLU 217 N 0.41 -0.31 0.12 5.54 2.02 -1.26 -4.63 118.70 120.59 2pnr s GLU 217 Ca 0.58 0.81 0.05 0.00 0.02 0.00 0.00 54.97 56.43 2pnr s GLU 217 Cb -0.35 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.22 2pnr s GLU 217 CO 0.34 -3.31 0.03 -1.17 0.02 0.00 0.00 175.26 171.17 2pnr s LEU 218 N -6.92 3.52 -0.04 1.80 2.96 -1.26 -1.11 118.68 117.63 2pnr s LEU 218 Ca 0.67 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 2pnr s LEU 218 Cb -0.23 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.28 2pnr s LEU 218 CO 0.62 0.14 -0.01 -1.61 -1.32 0.00 0.00 176.35 174.16 2pnr s GLU 219 N -2.60 0.51 -0.04 1.98 2.02 -1.00 -4.90 118.70 114.68 2pnr s GLU 219 Ca 0.27 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.32 2pnr s GLU 219 Cb -0.11 -0.66 -0.00 0.00 0.10 0.00 0.00 34.13 33.46 2pnr s GLU 219 CO 0.20 -0.14 -0.15 0.08 0.02 0.00 0.00 175.26 175.27 2pnr s VAL 220 N 1.10 1.26 -0.05 2.63 1.01 -1.26 -0.22 120.40 124.88 2pnr s VAL 220 Ca -0.09 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2pnr s VAL 220 Cb -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.17 2pnr s VAL 220 CO -0.01 0.37 -0.08 -1.61 0.00 0.00 0.00 175.10 173.77 2pnr s GLU 221 N 0.04 1.09 0.03 2.72 0.41 -0.98 -5.01 118.70 117.00 2pnr s GLU 221 Ca -0.03 -0.23 0.06 0.00 -0.41 0.00 0.00 54.97 54.36 2pnr s GLU 221 Cb -0.10 -1.00 -0.03 0.00 -1.78 0.00 0.00 34.13 31.22 2pnr s GLU 221 CO 0.01 -0.01 -0.13 -1.21 -0.49 0.00 0.00 175.26 173.44 2pnr s GLU 222 N 0.67 2.26 -0.20 1.61 2.02 -1.26 -0.87 118.70 122.93 2pnr s GLU 222 Ca -0.11 -0.88 -0.05 0.00 0.02 0.00 0.00 54.97 53.95 2pnr s GLU 222 Cb -0.14 -2.31 0.07 0.00 0.10 0.00 0.00 34.13 31.85 2pnr s GLU 222 CO 0.01 0.56 0.12 0.12 0.02 0.00 0.00 175.26 176.09 2pnr s PHE 223 N -0.97 0.16 -0.54 1.61 2.19 -0.09 -4.96 117.98 115.38 2pnr s PHE 223 Ca 0.16 -0.38 -0.17 0.00 0.33 0.00 0.00 56.93 56.88 2pnr s PHE 223 Cb -0.11 -0.70 0.11 0.00 -1.31 0.00 0.00 43.02 41.02 2pnr s PHE 223 CO 0.07 -0.60 0.53 1.21 1.83 0.00 0.00 175.22 178.26 2pnr s ASN 224 N 2.15 6.18 0.05 6.13 3.84 -1.26 -2.02 114.94 130.02 2pnr s ASN 224 Ca 0.04 -1.59 -0.24 0.00 0.21 0.00 0.00 52.86 51.28 2pnr s ASN 224 Cb -0.16 -2.23 -0.17 0.00 -0.55 0.00 0.00 41.25 38.14 2pnr s ASN 224 CO -0.16 -0.87 1.57 0.00 -2.79 0.00 0.00 177.10 174.85 2pnr h ALA 225 N 8.93 -0.03 -0.96 1.71 0.00 -1.62 -0.64 119.26 126.65 2pnr h ALA 225 Ca -0.29 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.67 2pnr h ALA 225 Cb 1.10 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 2pnr h ALA 225 CO 1.02 -0.43 -0.42 -0.22 0.00 0.00 0.00 179.25 179.20 2pnr h LYS 226 N -0.19 -0.02 -1.87 0.00 1.63 -1.86 -3.33 116.57 110.93 2pnr h LYS 226 Ca -0.00 0.00 -0.46 0.00 -0.85 0.00 0.00 60.65 59.34 2pnr h LYS 226 Cb 0.18 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 31.50 2pnr h LYS 226 CO 0.00 -0.01 -0.85 0.00 -3.45 0.00 0.00 179.45 175.15 2pnr n ALA 227 N -3.41 1.40 0.00 5.00 0.00 -1.21 -5.06 120.51 117.23 2pnr n ALA 227 Ca 0.08 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 51.00 2pnr n ALA 227 Cb 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2pnr n ALA 227 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pnr n PRO 228 N 2.66 0.00 0.00 0.00 -0.02 -0.25 -1.41 135.00 135.98 2pnr n PRO 228 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2pnr n PRO 228 Cb 0.51 -0.07 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 2pnr n PRO 228 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pnr n ASP 229 N -0.03 0.00 -4.68 2.55 8.00 -1.26 -4.71 116.55 116.41 2pnr n ASP 229 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2pnr n ASP 229 Cb 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2pnr n ASP 229 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2pnr s LYS 230 N 0.00 4.23 0.63 -1.24 2.20 -0.50 -4.94 119.74 120.12 2pnr s LYS 230 Ca 0.00 2.17 -0.18 0.00 -0.36 0.00 0.00 55.97 57.60 2pnr s LYS 230 Cb 0.00 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2pnr s LYS 230 CO 0.00 -0.69 0.85 -0.35 -0.36 0.00 0.00 175.35 174.79 2pnr n PRO 231 N 5.76 0.70 -2.47 4.03 -0.04 -1.26 -4.84 135.00 136.87 2pnr n PRO 231 Ca 0.15 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.46 2pnr n PRO 231 Cb 0.42 -2.07 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 2pnr n PRO 231 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pnr s ILE 232 N -1.63 4.03 0.28 0.52 1.01 -1.26 -5.01 121.20 119.14 2pnr s ILE 232 Ca 0.74 1.04 0.12 0.00 0.00 0.00 0.00 60.65 62.55 2pnr s ILE 232 Cb -0.40 -4.42 -0.05 0.00 0.01 0.00 0.00 42.46 37.60 2pnr s ILE 232 CO 0.49 -0.93 -0.17 -1.10 0.00 0.00 0.00 174.94 173.24 2pnr s GLN 233 N 4.76 1.78 0.23 2.79 -0.21 -1.26 -2.30 119.66 125.45 2pnr s GLN 233 Ca 0.54 -1.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.07 2pnr s GLN 233 Cb -0.10 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.08 2pnr s GLN 233 CO 0.32 0.33 0.47 0.54 -2.12 0.00 0.00 175.29 174.83 2pnr s VAL 234 N -2.48 0.02 -0.45 1.09 0.11 0.42 -4.90 120.40 114.20 2pnr s VAL 234 Ca 0.30 -1.25 -0.18 0.00 -2.93 0.00 0.00 61.98 57.92 2pnr s VAL 234 Cb -0.05 -2.01 0.04 0.00 -1.53 0.00 0.00 36.38 32.83 2pnr s VAL 234 CO 0.16 -0.07 0.51 -0.69 -3.33 0.00 0.00 175.10 171.68 2pnr s VAL 235 N -3.97 5.01 0.30 2.04 1.01 -1.26 -0.79 120.40 122.73 2pnr s VAL 235 Ca 0.18 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 2pnr s VAL 235 Cb -0.00 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2pnr s VAL 235 CO 0.05 -0.58 0.72 -0.47 0.00 0.00 0.00 175.10 174.82 2pnr s TYR 236 N 2.31 -0.11 -0.58 5.22 5.04 -1.14 -4.86 117.35 123.23 2pnr s TYR 236 Ca 0.13 -0.37 -0.22 0.00 -2.44 0.00 0.00 57.07 54.17 2pnr s TYR 236 Cb -0.18 0.71 0.06 0.00 0.35 0.00 0.00 41.96 42.90 2pnr s TYR 236 CO 0.13 -1.28 0.84 0.08 -1.34 0.00 0.00 175.55 173.98 2pnr s VAL 237 N -3.67 4.54 0.27 3.14 1.01 -1.26 -1.15 120.40 123.27 2pnr s VAL 237 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 2pnr s VAL 237 Cb -0.06 -4.52 0.42 0.00 0.00 0.00 0.00 36.38 32.23 2pnr s VAL 237 CO 0.08 -1.14 1.57 -0.65 0.00 0.00 0.00 175.10 174.95 2pnr h PRO 238 N 9.30 -0.00 -0.66 2.72 0.11 -1.93 -1.78 132.00 139.75 2pnr h PRO 238 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 2pnr h PRO 238 Cb 1.08 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2pnr h PRO 238 CO 1.09 -0.00 0.36 0.66 -0.21 0.00 0.00 178.00 179.89 2pnr h SER 239 N -0.00 0.83 0.17 -2.05 4.64 -1.92 0.10 113.55 115.32 2pnr h SER 239 Ca 0.45 -0.10 0.01 0.00 -0.47 0.00 0.00 61.79 61.69 2pnr h SER 239 Cb 0.69 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 2pnr h SER 239 CO -0.98 0.70 -0.31 0.45 -0.87 0.00 0.00 176.83 175.81 2pnr h HIS 240 N 0.91 -0.84 -0.06 4.77 3.86 -1.74 -2.05 115.15 120.00 2pnr h HIS 240 Ca 0.23 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.50 2pnr h HIS 240 Cb 0.05 0.35 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 2pnr h HIS 240 CO -0.00 -0.42 -0.27 1.25 0.86 0.00 0.00 177.93 179.35 2pnr h LEU 241 N -0.56 -0.81 -0.98 2.43 5.85 -1.32 -1.76 115.31 118.16 2pnr h LEU 241 Ca 0.02 0.12 0.27 0.00 0.84 0.00 0.00 57.88 59.12 2pnr h LEU 241 Cb 0.57 0.34 -0.13 0.00 0.37 0.00 0.00 40.66 41.80 2pnr h LEU 241 CO -0.15 -0.32 0.54 0.15 -0.34 0.00 0.00 178.44 178.32 2pnr h PHE 242 N -0.37 0.91 -0.28 1.25 3.57 -0.53 -0.62 116.94 120.87 2pnr h PHE 242 Ca 0.08 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 2pnr h PHE 242 Cb 0.49 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2pnr h PHE 242 CO -0.33 -0.04 -0.35 0.45 -2.23 0.00 0.00 178.31 175.81 2pnr h HIS 243 N 0.46 0.73 -0.30 0.41 3.86 -0.60 -0.87 115.15 118.84 2pnr h HIS 243 Ca 0.66 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 59.59 2pnr h HIS 243 Cb 1.34 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 2pnr h HIS 243 CO -0.04 0.89 -0.11 0.52 0.86 0.00 0.00 177.93 180.05 2pnr h MET 244 N 0.52 0.61 0.04 2.45 2.86 -0.92 -2.18 114.93 118.31 2pnr h MET 244 Ca 0.05 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2pnr h MET 244 Cb 0.85 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2pnr h MET 244 CO 0.07 0.82 -0.02 -0.07 1.06 0.00 0.00 176.91 178.78 2pnr h LEU 245 N 0.37 -0.04 -0.19 1.22 3.38 -1.22 -2.57 115.31 116.25 2pnr h LEU 245 Ca 0.07 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2pnr h LEU 245 Cb 0.62 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.31 2pnr h LEU 245 CO 0.04 0.06 -0.30 0.15 0.09 0.00 0.00 178.44 178.48 2pnr h PHE 246 N -0.15 -0.81 -0.59 1.13 3.57 -1.13 0.33 116.94 119.30 2pnr h PHE 246 Ca -0.01 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 2pnr h PHE 246 Cb 0.13 0.38 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 2pnr h PHE 246 CO -0.04 -0.37 -0.53 1.49 -2.23 0.00 0.00 178.31 176.63 2pnr h GLU 247 N -0.33 -0.25 -0.02 1.11 4.57 -1.29 0.25 114.58 118.61 2pnr h GLU 247 Ca 0.12 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.33 2pnr h GLU 247 Cb 0.52 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2pnr h GLU 247 CO -0.38 -0.17 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.12 2pnr h LEU 248 N -0.26 -0.27 -0.92 1.64 3.38 -1.00 -2.14 115.31 115.75 2pnr h LEU 248 Ca 0.13 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2pnr h LEU 248 Cb 0.55 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2pnr h LEU 248 CO -0.70 -0.13 0.59 -0.26 0.09 0.00 0.00 178.44 178.03 2pnr h PHE 249 N -0.15 1.11 -0.15 1.13 0.04 -0.26 -0.98 116.94 117.69 2pnr h PHE 249 Ca 0.04 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.88 2pnr h PHE 249 Cb 0.21 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.94 2pnr h PHE 249 CO -0.17 0.64 -0.13 -0.22 -0.60 0.00 0.00 178.31 177.83 2pnr h LYS 250 N 1.15 -0.15 -0.53 1.51 3.64 -0.19 0.32 116.57 122.32 2pnr h LYS 250 Ca 0.37 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2pnr h LYS 250 Cb 0.01 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2pnr h LYS 250 CO -0.12 -0.10 0.28 -0.91 -2.27 0.00 0.00 179.45 176.33 2pnr h ASN 251 N -0.15 0.67 0.41 4.20 2.35 -0.70 -0.44 115.58 121.91 2pnr h ASN 251 Ca 0.10 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 2pnr h ASN 251 Cb 0.29 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2pnr h ASN 251 CO -0.24 0.58 -0.54 0.77 -1.65 0.00 0.00 177.43 176.36 2pnr h SER 252 N 0.70 0.16 0.21 5.81 4.64 -1.05 -2.16 113.55 121.87 2pnr h SER 252 Ca 0.18 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.21 2pnr h SER 252 Cb 0.07 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2pnr h SER 252 CO -0.03 0.67 -0.85 0.24 -0.87 0.00 0.00 176.83 175.99 2pnr h MET 253 N 0.11 0.49 0.87 4.77 2.86 -0.65 -2.33 114.93 121.06 2pnr h MET 253 Ca -0.00 -0.46 -0.04 0.00 -2.06 0.00 0.00 59.70 57.14 2pnr h MET 253 Cb 0.99 0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.77 2pnr h MET 253 CO 0.08 1.10 -0.42 -0.09 1.06 0.00 0.00 176.91 178.64 2pnr h ARG 254 N 0.31 -1.13 -0.93 1.72 2.43 -0.91 -2.80 114.38 113.07 2pnr h ARG 254 Ca -0.06 0.08 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 2pnr h ARG 254 Cb 1.47 0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 31.18 2pnr h ARG 254 CO 0.15 -0.75 0.54 0.00 -1.51 0.00 0.00 179.97 178.40 2pnr h ALA 255 N -1.04 1.43 0.47 2.80 0.00 -1.46 -2.24 119.26 119.23 2pnr h ALA 255 Ca -0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2pnr h ALA 255 Cb 0.90 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2pnr h ALA 255 CO 0.20 0.02 -0.23 1.15 0.00 0.00 0.00 179.25 180.38 2pnr h THR 256 N 0.77 0.49 -0.19 0.00 2.02 -1.37 -2.97 112.91 111.66 2pnr h THR 256 Ca 0.50 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 67.42 2pnr h THR 256 Cb 0.65 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2pnr h THR 256 CO -0.33 0.05 -0.10 0.58 0.37 0.00 0.00 175.52 176.08 2pnr h VAL 257 N -0.83 0.68 -0.62 3.16 2.07 -1.32 -1.43 116.25 117.96 2pnr h VAL 257 Ca -0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.62 2pnr h VAL 257 Cb 0.57 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2pnr h VAL 257 CO 0.11 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 177.80 2pnr h GLU 258 N -0.09 0.09 0.09 1.57 5.08 -1.46 0.12 114.58 119.98 2pnr h GLU 258 Ca 0.11 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.16 2pnr h GLU 258 Cb 0.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2pnr h GLU 258 CO -0.25 0.06 -1.59 1.25 -1.00 0.00 0.00 179.01 177.48 2pnr h LEU 259 N 0.10 0.31 -0.62 1.33 5.85 -1.22 -3.36 115.31 117.70 2pnr h LEU 259 Ca 0.30 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2pnr h LEU 259 Cb 1.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2pnr h LEU 259 CO -0.03 1.68 0.00 -1.22 -0.34 0.00 0.00 178.44 178.53 2pnr n TYR 260 N -3.88 0.12 -0.29 1.25 4.01 -0.60 -4.07 117.16 113.70 2pnr n TYR 260 Ca -0.29 -0.06 -0.06 0.00 -0.16 0.00 0.00 57.90 57.34 2pnr n TYR 260 Cb 0.91 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 40.00 2pnr n TYR 260 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2pnr h GLU 261 N 1.24 1.18 -0.02 -0.72 4.81 -0.92 -3.02 114.58 117.14 2pnr h GLU 261 Ca 0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2pnr h GLU 261 Cb 0.27 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2pnr h GLU 261 CO 0.00 0.94 -0.29 -0.40 -0.73 0.00 0.00 179.01 178.53 2pnr n ASP 262 N -4.30 2.26 -2.84 1.04 5.75 -1.26 -4.91 116.55 112.29 2pnr n ASP 262 Ca 0.07 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 2pnr n ASP 262 Cb 0.17 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2pnr n ASP 262 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2pnr n ARG 263 N 0.38 1.79 -1.18 0.11 5.12 -1.14 -5.05 116.66 116.69 2pnr n ARG 263 Ca 0.11 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 56.02 2pnr n ARG 263 Cb 0.50 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.78 2pnr n ARG 263 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2pnr n LYS 264 N 0.00 0.00 -0.29 5.56 4.81 -1.26 -4.92 118.16 122.06 2pnr n LYS 264 Ca 0.00 -1.41 0.09 0.00 -0.87 0.00 0.00 58.31 56.12 2pnr n LYS 264 Cb 0.00 0.20 0.25 0.00 0.02 0.00 0.00 35.03 35.49 2pnr n LYS 264 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2pnr n GLU 265 N 0.23 2.82 0.00 1.64 1.02 -1.26 -5.08 120.64 120.00 2pnr n GLU 265 Ca -0.10 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 2pnr n GLU 265 Cb 0.90 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 2pnr n GLU 265 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pnr n GLY 266 N 1.12 -0.14 2.81 0.62 0.00 -1.26 -4.79 105.19 103.54 2pnr n GLY 266 Ca 0.19 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 2pnr n GLY 266 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pnr s TYR 267 N 0.00 0.81 0.31 1.61 2.02 -1.26 -4.87 117.35 115.97 2pnr s TYR 267 Ca 0.00 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.14 2pnr s TYR 267 Cb 0.00 -0.86 -0.12 0.00 -0.40 0.00 0.00 41.96 40.58 2pnr s TYR 267 CO 0.00 -0.35 1.38 -2.30 -1.57 0.00 0.00 175.55 172.71 2pnr n PRO 268 N 5.00 2.20 -1.21 -1.71 -0.02 -1.26 -4.50 135.00 133.51 2pnr n PRO 268 Ca -0.10 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 2pnr n PRO 268 Cb 0.50 -2.42 0.11 0.00 -0.02 0.00 0.00 33.50 31.67 2pnr n PRO 268 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pnr s ALA 269 N -0.63 2.05 -0.37 3.55 0.00 -1.26 -4.56 121.76 120.54 2pnr s ALA 269 Ca 0.60 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 2pnr s ALA 269 Cb -0.58 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.18 2pnr s ALA 269 CO 0.57 -1.98 0.24 0.08 0.00 0.00 0.00 175.76 174.67 2pnr s VAL 270 N -2.59 5.08 0.11 0.00 1.01 -0.26 -4.76 120.40 118.98 2pnr s VAL 270 Ca 0.66 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 2pnr s VAL 270 Cb -0.21 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 2pnr s VAL 270 CO 0.52 -0.14 0.62 -0.54 0.00 0.00 0.00 175.10 175.57 2pnr s LYS 271 N 1.67 4.25 0.03 2.72 1.02 -0.60 -2.38 119.74 126.44 2pnr s LYS 271 Ca 0.05 0.80 0.07 0.00 0.02 0.00 0.00 55.97 56.91 2pnr s LYS 271 Cb -0.18 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2pnr s LYS 271 CO 0.09 0.59 -0.21 0.99 -0.92 0.00 0.00 175.35 175.89 2pnr s THR 272 N -1.19 1.64 -0.07 2.17 2.01 0.70 0.19 115.64 121.09 2pnr s THR 272 Ca 0.32 -1.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 2pnr s THR 272 Cb -0.19 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 70.93 2pnr s THR 272 CO 0.20 0.27 0.02 -0.22 -0.69 0.00 0.00 174.62 174.21 2pnr s LEU 273 N -0.99 0.44 -0.14 4.42 2.96 0.36 -2.31 118.68 123.42 2pnr s LEU 273 Ca 0.07 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2pnr s LEU 273 Cb -0.09 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 2pnr s LEU 273 CO 0.01 -0.22 0.01 -0.69 -1.32 0.00 0.00 176.35 174.14 2pnr s VAL 274 N 2.04 4.31 0.02 1.68 1.01 -0.05 -0.69 120.40 128.72 2pnr s VAL 274 Ca 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2pnr s VAL 274 Cb -0.12 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2pnr s VAL 274 CO -0.05 0.52 -0.06 0.42 0.00 0.00 0.00 175.10 175.94 2pnr s THR 275 N -0.07 0.39 -0.18 3.92 -4.23 0.41 -0.91 115.64 114.96 2pnr s THR 275 Ca 0.04 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2pnr s THR 275 Cb -0.13 -0.42 0.04 0.00 1.34 0.00 0.00 72.50 73.33 2pnr s THR 275 CO 0.02 -0.20 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.57 2pnr s LEU 276 N -0.94 2.08 0.00 4.79 2.96 -0.86 -0.59 118.68 126.13 2pnr s LEU 276 Ca -0.06 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 2pnr s LEU 276 Cb -0.06 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.42 2pnr s LEU 276 CO -0.00 -0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 2pnr n GLY 277 N 4.72 3.77 0.27 7.98 0.00 -0.07 -1.44 105.19 120.43 2pnr n GLY 277 Ca -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 46.02 43.73 2pnr n GLY 277 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pnr h LYS 278 N 0.00 0.65 0.00 1.61 3.64 -1.99 -3.35 116.57 117.13 2pnr h LYS 278 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2pnr h LYS 278 Cb 0.00 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2pnr h LYS 278 CO 0.00 0.43 0.00 -0.85 -2.27 0.00 0.00 179.45 176.76 2pnr n GLU 279 N -4.81 0.76 -4.91 1.90 0.28 -1.26 -4.77 120.64 107.83 2pnr n GLU 279 Ca 0.11 -0.11 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 2pnr n GLU 279 Cb 0.25 -0.49 -0.15 0.00 1.43 0.00 0.00 31.44 32.48 2pnr n GLU 279 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2pnr s ASP 280 N -0.14 3.79 -0.24 -1.84 1.11 -1.26 -0.80 116.67 117.29 2pnr s ASP 280 Ca 0.00 -0.35 -0.07 0.00 0.18 0.00 0.00 52.55 52.31 2pnr s ASP 280 Cb 0.00 -1.37 -0.03 0.00 1.07 0.00 0.00 42.92 42.60 2pnr s ASP 280 CO 0.00 0.21 0.05 -0.22 1.18 0.00 0.00 175.17 176.39 2pnr s LEU 281 N 0.10 3.35 0.00 1.23 0.20 0.24 -0.89 118.68 122.91 2pnr s LEU 281 Ca -0.07 -0.23 0.08 0.00 0.69 0.00 0.00 54.13 54.59 2pnr s LEU 281 Cb -0.15 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 2pnr s LEU 281 CO 0.05 -0.03 -0.23 -0.44 -0.29 0.00 0.00 176.35 175.41 2pnr s SER 282 N 1.55 2.77 -0.07 3.68 0.01 0.25 -0.84 113.70 121.05 2pnr s SER 282 Ca 0.06 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.87 2pnr s SER 282 Cb -0.15 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.81 2pnr s SER 282 CO 0.02 0.26 -0.07 -0.63 0.41 0.00 0.00 173.24 173.24 2pnr s ILE 283 N -0.62 0.82 -0.07 1.44 1.01 -0.46 -0.45 121.20 122.87 2pnr s ILE 283 Ca 0.09 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2pnr s ILE 283 Cb -0.09 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2pnr s ILE 283 CO -0.00 0.30 -0.18 -0.75 0.00 0.00 0.00 174.94 174.31 2pnr s LYS 284 N 1.08 2.27 -0.27 2.79 2.20 0.13 -0.91 119.74 127.03 2pnr s LYS 284 Ca -0.08 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 54.86 2pnr s LYS 284 Cb -0.14 -1.81 0.03 0.00 -1.51 0.00 0.00 37.83 34.40 2pnr s LYS 284 CO -0.01 0.15 -0.04 0.42 -0.36 0.00 0.00 175.35 175.51 2pnr s ILE 285 N 0.38 2.96 -0.04 5.43 1.01 0.46 -0.48 121.20 130.91 2pnr s ILE 285 Ca -0.14 -1.11 0.01 0.00 0.00 0.00 0.00 60.65 59.41 2pnr s ILE 285 Cb -0.16 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 2pnr s ILE 285 CO 0.05 0.10 -0.02 -0.44 0.00 0.00 0.00 174.94 174.63 2pnr s SER 286 N 1.31 4.98 0.05 3.58 0.01 0.13 -1.64 113.70 122.12 2pnr s SER 286 Ca -0.01 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.21 2pnr s SER 286 Cb -0.18 -1.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 2pnr s SER 286 CO -0.03 0.32 0.07 1.51 0.41 0.00 0.00 173.24 175.53 2pnr s ASP 287 N -1.20 0.27 -0.73 2.44 1.47 -0.93 -1.56 116.67 116.43 2pnr s ASP 287 Ca 0.16 -0.71 0.02 0.00 1.18 0.00 0.00 52.55 53.20 2pnr s ASP 287 Cb -0.11 0.24 0.36 0.00 -0.34 0.00 0.00 42.92 43.06 2pnr s ASP 287 CO 0.06 -0.58 1.45 0.18 0.68 0.00 0.00 175.17 176.96 2pnr n LEU 288 N 0.39 5.96 -0.42 2.11 4.77 -1.26 -1.05 117.00 127.51 2pnr n LEU 288 Ca -0.17 -5.32 0.07 0.00 -0.03 0.00 0.00 56.01 50.56 2pnr n LEU 288 Cb 0.60 -0.81 0.28 0.00 -2.33 0.00 0.00 43.42 41.16 2pnr n LEU 288 CO 0.24 2.12 0.70 0.61 -1.33 0.00 0.00 177.39 179.73 2pnr n GLY 289 N -0.31 0.02 0.00 -0.72 0.00 -1.21 -4.75 105.19 98.21 2pnr n GLY 289 Ca 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.96 0.56 1.43 -0.02 0.00 0.24 -4.70 105.19 103.67 2pnr n GLY 290 Ca 0.12 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.47 -2.14 2.97 -0.02 0.00 -1.18 -0.29 105.19 103.06 2pnr n GLY 291 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.56 -0.01 0.32 1.61 1.01 -1.26 -4.50 120.40 115.02 2pnr s VAL 292 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 2pnr s VAL 292 Cb 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 36.38 36.09 2pnr s VAL 292 CO 0.00 0.01 1.23 -0.81 0.00 0.00 0.00 175.10 175.53 2pnr n PRO 293 N 3.23 1.95 -0.26 2.72 -0.04 -1.26 -4.12 135.00 137.21 2pnr n PRO 293 Ca -0.15 0.68 -0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2pnr n PRO 293 Cb 0.58 -2.22 0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2pnr n PRO 293 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2pnr h LEU 294 N 2.50 -0.88 -0.90 1.53 5.85 -2.00 -2.10 115.31 119.30 2pnr h LEU 294 Ca -0.45 0.24 0.26 0.00 0.84 0.00 0.00 57.88 58.77 2pnr h LEU 294 Cb 1.30 0.52 -0.17 0.00 0.37 0.00 0.00 40.66 42.68 2pnr h LEU 294 CO 0.63 -0.27 0.06 -1.14 -0.34 0.00 0.00 178.44 177.38 2pnr n ARG 295 N -5.49 -0.07 0.07 1.25 0.63 -1.26 0.11 116.66 111.91 2pnr n ARG 295 Ca 0.09 1.34 0.12 0.00 -0.92 0.00 0.00 57.85 58.48 2pnr n ARG 295 Cb 0.38 -2.16 0.10 0.00 0.45 0.00 0.00 32.46 31.23 2pnr n ARG 295 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2pnr h LYS 296 N 0.00 0.00 -0.56 -0.14 1.57 -1.74 -3.37 116.57 112.33 2pnr h LYS 296 Ca 0.57 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.39 2pnr h LYS 296 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2pnr h LYS 296 CO -0.84 0.00 0.30 0.97 -0.57 0.00 0.00 179.45 179.32 2pnr h ILE 297 N 0.00 0.98 -0.38 1.86 6.09 -0.14 -2.66 117.51 123.26 2pnr h ILE 297 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2pnr h ILE 297 Cb 0.83 0.35 -0.02 0.00 0.47 0.00 0.00 36.82 38.45 2pnr h ILE 297 CO 0.00 0.11 0.25 0.44 -3.07 0.00 0.00 178.15 175.88 2pnr h ASP 298 N 0.58 0.44 -0.77 2.19 3.32 -1.71 -2.27 116.42 118.21 2pnr h ASP 298 Ca 0.24 -0.02 0.16 0.00 0.02 0.00 0.00 57.03 57.43 2pnr h ASP 298 Cb 0.12 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.46 2pnr h ASP 298 CO -0.15 0.33 0.28 0.03 -1.72 0.00 0.00 179.24 178.01 2pnr h ARG 299 N 0.51 0.38 -0.86 3.56 3.08 -1.67 -3.07 114.38 116.32 2pnr h ARG 299 Ca 0.14 -0.02 0.30 0.00 0.07 0.00 0.00 59.98 60.47 2pnr h ARG 299 Cb -0.05 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 29.82 2pnr h ARG 299 CO -0.03 0.25 0.54 1.28 -1.07 0.00 0.00 179.97 180.95 2pnr n LEU 300 N -5.04 0.14 -1.18 3.04 4.77 -0.85 0.33 117.00 118.20 2pnr n LEU 300 Ca 0.15 0.90 0.08 0.00 -0.03 0.00 0.00 56.01 57.11 2pnr n LEU 300 Cb 0.45 -0.44 0.27 0.00 -2.33 0.00 0.00 43.42 41.37 2pnr n LEU 300 CO 0.16 -0.98 0.72 0.49 -1.33 0.00 0.00 177.39 176.45 2pnr n PHE 301 N -4.00 0.96 -3.66 -1.77 3.72 -1.16 -4.49 117.46 107.06 2pnr n PHE 301 Ca 0.26 -0.42 -0.25 0.00 -0.05 0.00 0.00 57.45 56.98 2pnr n PHE 301 Cb 0.98 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 39.40 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 -0.90 6.35 -0.93 4.37 0.01 0.15 -4.55 114.94 119.44 2pnr s ASN 302 Ca 0.39 0.36 -0.17 0.00 -0.71 0.00 0.00 52.86 52.73 2pnr s ASN 302 Cb 0.23 -1.99 0.16 0.00 0.41 0.00 0.00 41.25 40.06 2pnr s ASN 302 CO 0.23 -0.11 1.06 -0.31 -1.51 0.00 0.00 177.10 176.46 2pnr s TYR 303 N -1.99 3.36 -0.22 2.20 2.02 -1.26 -4.92 117.35 116.53 2pnr s TYR 303 Ca 0.38 -1.65 0.00 0.00 -0.37 0.00 0.00 57.07 55.43 2pnr s TYR 303 Cb -0.10 -4.15 0.04 0.00 -0.40 0.00 0.00 41.96 37.35 2pnr s TYR 303 CO 0.31 -1.33 0.96 0.00 -1.57 0.00 0.00 175.55 173.91 2pnr n ALA 318 N 5.68 2.67 -3.35 3.71 0.00 -1.26 -5.15 120.51 122.82 2pnr n ALA 318 Ca 0.22 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 2pnr n ALA 318 Cb 0.48 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 2pnr n ALA 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnr s ALA 319 N -0.39 -1.16 0.00 0.00 0.00 -1.26 -5.19 121.76 113.76 2pnr s ALA 319 Ca 0.03 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2pnr s ALA 319 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2pnr s ALA 319 CO 0.01 -0.30 0.00 -0.35 0.00 0.00 0.00 175.76 175.12 2pnr n PRO 320 N 1.19 0.00 0.00 0.00 -0.04 -1.26 -5.13 135.00 129.76 2pnr n PRO 320 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2pnr n PRO 320 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 2pnr n PRO 320 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2pnr n LEU 321 N 0.00 0.00 -2.67 1.53 7.94 -1.26 -4.98 117.00 117.55 2pnr n LEU 321 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 2pnr n LEU 321 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 2pnr n LEU 321 CO 0.00 0.00 0.62 0.00 -1.11 0.00 0.00 177.39 176.90 2pnr n ALA 322 N -0.62 -2.01 -2.10 1.96 0.00 -1.26 -5.03 120.51 111.45 2pnr n ALA 322 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 53.44 52.40 2pnr n ALA 322 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 2pnr n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnr n GLY 323 N -0.01 2.13 0.13 0.00 0.00 -1.26 -4.61 105.19 101.56 2pnr n GLY 323 Ca -0.12 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 2pnr n GLY 323 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pnr n PHE 324 N 10.50 0.00 0.00 1.61 3.01 -1.26 -5.05 117.46 126.28 2pnr n PHE 324 Ca 0.48 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.94 2pnr n PHE 324 Cb 0.45 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 2pnr n PHE 324 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pnr n GLY 325 N 1.29 -2.28 0.00 1.37 0.00 -1.26 -4.96 105.19 99.35 2pnr n GLY 325 Ca -0.47 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 44.57 2pnr n GLY 325 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pnr n TYR 326 N 0.00 0.01 0.00 1.61 4.01 -1.26 -5.09 117.16 116.44 2pnr n TYR 326 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2pnr n TYR 326 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 2pnr n TYR 326 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pnr n GLY 327 N 1.49 -0.43 0.24 2.72 0.00 -1.26 -4.28 105.19 103.66 2pnr n GLY 327 Ca 0.04 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 2pnr n GLY 327 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pnr h LEU 328 N 0.00 0.59 0.05 0.99 3.38 -1.97 -1.51 115.31 116.83 2pnr h LEU 328 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2pnr h LEU 328 Cb 0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2pnr h LEU 328 CO 0.00 0.41 -0.37 -0.65 0.09 0.00 0.00 178.44 177.93 2pnr h PRO 329 N 0.72 -0.54 -0.39 1.13 0.11 -1.80 0.08 132.00 131.32 2pnr h PRO 329 Ca 0.24 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 2pnr h PRO 329 Cb 0.01 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 2pnr h PRO 329 CO -0.10 -0.36 0.18 0.82 -0.21 0.00 0.00 178.00 178.34 2pnr h ILE 330 N -0.56 1.17 -0.85 4.15 1.08 -1.73 -1.65 117.51 119.13 2pnr h ILE 330 Ca 0.04 -0.50 0.20 0.00 -0.39 0.00 0.00 64.86 64.21 2pnr h ILE 330 Cb 0.62 0.79 -0.12 0.00 -3.07 0.00 0.00 36.82 35.04 2pnr h ILE 330 CO -0.26 0.19 0.33 0.28 -0.69 0.00 0.00 178.15 178.00 2pnr h SER 331 N 0.48 0.24 0.87 1.72 0.02 -0.86 0.32 113.55 116.34 2pnr h SER 331 Ca 0.13 0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 61.10 2pnr h SER 331 Cb 0.13 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2pnr h SER 331 CO -0.02 -0.00 -0.61 -0.09 -1.14 0.00 0.00 176.83 174.97 2pnr h ARG 332 N 0.37 0.00 -0.68 3.45 2.43 -0.45 -2.94 114.38 116.57 2pnr h ARG 332 Ca 0.52 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.64 2pnr h ARG 332 Cb 0.94 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 2pnr h ARG 332 CO -0.52 0.61 0.24 -0.07 -1.51 0.00 0.00 179.97 178.72 2pnr h LEU 333 N 0.00 0.96 -0.63 3.80 3.38 0.51 -1.14 115.31 122.19 2pnr h LEU 333 Ca -0.01 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.87 2pnr h LEU 333 Cb 1.21 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2pnr h LEU 333 CO 0.08 0.89 0.25 1.88 0.09 0.00 0.00 178.44 181.63 2pnr h TYR 334 N 0.97 0.43 -0.06 1.13 0.05 -1.01 0.22 116.97 118.70 2pnr h TYR 334 Ca 0.22 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 2pnr h TYR 334 Cb 0.26 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 2pnr h TYR 334 CO 0.02 0.11 -0.00 0.00 -1.05 0.00 0.00 178.16 177.23 2pnr h ALA 335 N 1.43 0.09 -0.06 3.88 0.00 -1.34 -3.05 119.26 120.21 2pnr h ALA 335 Ca 0.32 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2pnr h ALA 335 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2pnr h ALA 335 CO -0.31 -0.23 -0.21 0.00 0.00 0.00 0.00 179.25 178.50 2pnr h ARG 336 N -0.19 0.11 -0.93 0.00 2.47 -0.91 -0.91 114.38 114.02 2pnr h ARG 336 Ca 0.02 -0.03 0.23 0.00 -1.26 0.00 0.00 59.98 58.94 2pnr h ARG 336 Cb 0.36 -0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 28.54 2pnr h ARG 336 CO 0.00 0.32 0.45 -0.92 0.56 0.00 0.00 179.97 180.38 2pnr h TYR 337 N 0.10 0.75 -1.50 3.04 3.20 -0.46 -1.42 116.97 120.68 2pnr h TYR 337 Ca 0.02 0.04 -0.66 0.00 3.14 0.00 0.00 58.73 61.26 2pnr h TYR 337 Cb 0.44 -0.18 -0.35 0.00 1.54 0.00 0.00 36.73 38.18 2pnr h TYR 337 CO 0.00 -0.04 0.16 1.19 -1.64 0.00 0.00 178.16 177.84 2pnr n PHE 338 N -5.01 3.13 -2.32 -3.82 3.72 -1.18 -0.13 117.46 111.86 2pnr n PHE 338 Ca 0.24 -2.69 -0.19 0.00 -0.05 0.00 0.00 57.45 54.76 2pnr n PHE 338 Cb 0.70 -0.74 -0.01 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.60 -1.54 -0.19 -1.08 1.13 -0.54 -4.53 117.38 110.03 2pnr n GLN 339 Ca 0.49 0.96 0.00 0.00 -1.94 0.00 0.00 57.00 56.51 2pnr n GLN 339 Cb 0.55 -5.52 0.00 0.00 0.11 0.00 0.00 30.24 25.38 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 -0.99 4.98 3.57 1.08 0.00 -0.35 -4.56 105.19 108.91 2pnr n GLY 340 Ca -0.23 -2.05 -0.06 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.02 -0.26 -0.07 1.61 2.15 0.23 -3.58 116.67 116.72 2pnr s ASP 341 Ca 0.00 -0.07 0.01 0.00 0.43 0.00 0.00 52.55 52.93 2pnr s ASP 341 Cb 0.00 0.33 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 2pnr s ASP 341 CO 0.00 -0.54 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.14 2pnr s LEU 342 N -2.51 1.47 0.02 -1.34 0.20 -1.26 0.44 118.68 115.70 2pnr s LEU 342 Ca 0.08 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.65 2pnr s LEU 342 Cb -0.01 -0.76 -0.01 0.00 -0.43 0.00 0.00 46.19 44.98 2pnr s LEU 342 CO -0.06 -0.02 -0.07 -0.54 -0.29 0.00 0.00 176.35 175.36 2pnr s LYS 343 N 0.98 0.53 -0.13 1.98 1.02 -0.16 -4.99 119.74 118.97 2pnr s LYS 343 Ca -0.09 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.40 2pnr s LYS 343 Cb -0.15 -0.42 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 2pnr s LYS 343 CO 0.00 0.10 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.87 2pnr s LEU 344 N -0.87 2.61 -0.06 3.17 1.43 -1.26 -1.33 118.68 122.37 2pnr s LEU 344 Ca -0.03 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2pnr s LEU 344 Cb -0.06 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 2pnr s LEU 344 CO 0.00 0.15 -0.18 -0.31 0.23 0.00 0.00 176.35 176.24 2pnr s TYR 345 N 0.41 1.92 0.02 0.29 1.51 -0.26 -5.01 117.35 116.22 2pnr s TYR 345 Ca -0.11 -0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 55.30 2pnr s TYR 345 Cb -0.16 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 2pnr s TYR 345 CO 0.05 -0.25 -0.01 0.45 -1.11 0.00 0.00 175.55 174.69 2pnr s SER 346 N 0.21 0.19 -0.52 2.29 0.15 -1.26 0.02 113.70 114.77 2pnr s SER 346 Ca -0.09 -0.41 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 2pnr s SER 346 Cb -0.14 0.10 0.14 0.00 -1.71 0.00 0.00 66.02 64.41 2pnr s SER 346 CO 0.04 -0.27 0.35 -0.04 1.20 0.00 0.00 173.24 174.52 2pnr s MET 347 N -1.27 2.39 0.05 5.44 -1.94 -0.81 -4.83 119.30 118.34 2pnr s MET 347 Ca -0.14 -2.07 -0.35 0.00 -1.71 0.00 0.00 55.69 51.42 2pnr s MET 347 Cb -0.09 -3.77 -0.14 0.00 2.01 0.00 0.00 34.83 32.84 2pnr s MET 347 CO -0.01 -1.15 1.60 -1.91 -0.01 0.00 0.00 175.02 173.54 2pnr n GLU 348 N 4.28 1.84 0.00 2.03 2.13 -1.26 -1.26 120.64 128.41 2pnr n GLU 348 Ca 0.00 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.49 2pnr n GLU 348 Cb 0.40 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.70 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 3.48 2.38 0.23 8.31 0.00 0.60 -4.91 105.19 115.28 2pnr n GLY 349 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.59 0.00 -1.94 1.61 0.31 -0.39 -4.70 118.33 112.64 2pnr n VAL 350 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2pnr n VAL 350 Cb 0.00 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 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 3.73 3.43 3.17 2.92 0.00 -1.16 0.83 105.19 118.11 2pnr n GLY 351 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.26 0.02 -0.29 2.61 2.01 -0.22 -1.92 115.64 115.59 2pnr s THR 352 Ca 0.00 -0.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 2pnr s THR 352 Cb 0.00 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.11 2pnr s THR 352 CO 0.00 -0.08 0.02 -1.81 -0.69 0.00 0.00 174.62 172.06 2pnr s ASP 353 N -0.24 4.86 -0.19 3.53 1.01 0.10 -2.18 116.67 123.56 2pnr s ASP 353 Ca -0.04 -0.97 -0.09 0.00 0.71 0.00 0.00 52.55 52.16 2pnr s ASP 353 Cb -0.03 -1.77 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 2pnr s ASP 353 CO 0.01 -0.21 0.10 0.00 0.21 0.00 0.00 175.17 175.27 2pnr s ALA 354 N 1.37 3.55 -0.05 5.23 0.00 -0.65 -1.10 121.76 130.10 2pnr s ALA 354 Ca -0.01 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2pnr s ALA 354 Cb -0.18 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.91 2pnr s ALA 354 CO -0.00 0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.91 2pnr s VAL 355 N 0.38 0.86 -0.18 0.00 1.01 -0.44 -0.41 120.40 121.62 2pnr s VAL 355 Ca 0.06 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2pnr s VAL 355 Cb -0.12 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2pnr s VAL 355 CO -0.01 0.29 0.01 -0.63 0.00 0.00 0.00 175.10 174.76 2pnr s ILE 356 N 0.75 4.19 -0.18 2.22 1.01 -0.09 -0.99 121.20 128.12 2pnr s ILE 356 Ca -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 2pnr s ILE 356 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2pnr s ILE 356 CO 0.02 0.46 -0.05 -0.31 0.00 0.00 0.00 174.94 175.06 2pnr s TYR 357 N 0.62 2.96 0.00 3.97 2.02 0.17 -1.35 117.35 125.74 2pnr s TYR 357 Ca 0.00 -0.60 0.03 0.00 -0.37 0.00 0.00 57.07 56.14 2pnr s TYR 357 Cb -0.14 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 2pnr s TYR 357 CO 0.02 -0.27 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.12 2pnr s LEU 358 N 0.83 2.05 0.22 -1.29 1.43 -0.02 -0.60 118.68 121.30 2pnr s LEU 358 Ca -0.01 -0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 52.54 2pnr s LEU 358 Cb -0.15 -0.50 -0.10 0.00 0.03 0.00 0.00 46.19 45.47 2pnr s LEU 358 CO 0.01 0.09 1.54 -0.54 0.23 0.00 0.00 176.35 177.69 2pnr s LYS 359 N -0.42 4.21 0.16 1.70 -0.14 -1.26 0.81 119.74 124.79 2pnr s LYS 359 Ca 0.03 2.39 -0.14 0.00 -1.36 0.00 0.00 55.97 56.89 2pnr s LYS 359 Cb -0.05 -3.11 0.04 0.00 -1.68 0.00 0.00 37.83 33.03 2pnr s LYS 359 CO -0.00 -0.56 1.74 0.00 -0.76 0.00 0.00 175.35 175.77 2pnr h ALA 360 N 5.86 0.64 -2.94 5.17 0.00 -1.23 -3.43 119.26 123.33 2pnr h ALA 360 Ca -0.45 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 2pnr h ALA 360 Cb 1.21 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 2pnr h ALA 360 CO 0.85 0.20 -0.22 -0.51 0.00 0.00 0.00 179.25 179.57 2pnr s LEU 361 N -9.89 4.30 0.43 0.00 1.43 -1.26 -4.79 118.68 108.90 2pnr s LEU 361 Ca -0.13 0.73 0.21 0.00 -1.03 0.00 0.00 54.13 53.91 2pnr s LEU 361 Cb 0.12 -2.56 0.95 0.00 0.03 0.00 0.00 46.19 44.73 2pnr s LEU 361 CO 0.76 0.09 1.87 0.77 0.23 0.00 0.00 176.35 180.07 2pnr h SER 362 N 6.34 0.00 0.21 2.29 4.64 -1.89 -2.50 113.55 122.65 2pnr h SER 362 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2pnr h SER 362 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2pnr h SER 362 CO 0.73 0.28 -0.01 0.77 -0.87 0.00 0.00 176.83 177.73 2pnr h SER 363 N 0.00 0.00 -0.00 4.97 4.64 -1.95 -1.56 113.55 119.64 2pnr h SER 363 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnr h SER 363 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2pnr h SER 363 CO 0.04 0.01 -0.80 -0.62 -0.87 0.00 0.00 176.83 174.59 2pnr n GLU 364 N -3.20 1.12 -1.92 4.77 1.02 -0.95 -4.80 120.64 116.68 2pnr n GLU 364 Ca -0.02 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.60 2pnr n GLU 364 Cb 0.13 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2pnr n GLU 364 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2pnr n SER 365 N -1.27 4.85 -4.86 1.62 7.64 -0.60 -4.87 113.62 116.13 2pnr n SER 365 Ca 0.04 -2.93 -0.32 0.00 1.01 0.00 0.00 58.87 56.67 2pnr n SER 365 Cb 0.29 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 61.87 2pnr n SER 365 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2pnr s PHE 366 N 1.95 3.40 0.31 1.43 0.08 -1.26 -0.74 117.98 123.15 2pnr s PHE 366 Ca 0.46 1.16 -0.29 0.00 0.12 0.00 0.00 56.93 58.38 2pnr s PHE 366 Cb 0.13 -2.50 -0.11 0.00 -0.57 0.00 0.00 43.02 39.97 2pnr s PHE 366 CO -0.06 0.03 1.49 -1.21 -0.10 0.00 0.00 175.22 175.38 2pnr s GLU 367 N -3.26 4.18 -0.67 0.44 2.02 -1.01 -3.65 118.70 116.75 2pnr s GLU 367 Ca 0.53 2.47 -0.09 0.00 0.02 0.00 0.00 54.97 57.90 2pnr s GLU 367 Cb -0.10 -3.03 0.17 0.00 0.10 0.00 0.00 34.13 31.27 2pnr s GLU 367 CO 0.22 -0.50 0.55 0.50 0.02 0.00 0.00 175.26 176.05 2pnr s ARG 368 N -1.10 2.97 0.01 1.61 3.52 0.82 -4.75 118.95 122.03 2pnr s ARG 368 Ca 0.58 -2.33 -0.01 0.00 -0.13 0.00 0.00 55.73 53.84 2pnr s ARG 368 Cb -0.45 -4.06 -0.04 0.00 -1.56 0.00 0.00 34.95 28.84 2pnr s ARG 368 CO 0.52 -1.23 0.12 -0.51 -0.81 0.00 0.00 175.30 173.39 2pnr s LEU 369 N 0.36 4.05 -0.02 -0.88 1.43 -1.26 -4.83 118.68 117.53 2pnr s LEU 369 Ca 0.15 0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 2pnr s LEU 369 Cb -0.18 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2pnr s LEU 369 CO -0.05 0.25 0.84 -2.16 0.23 0.00 0.00 176.35 175.46 2pnr s PRO 370 N -1.90 4.50 -0.06 1.29 0.04 -1.26 -5.05 135.00 132.57 2pnr s PRO 370 Ca 0.25 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 2pnr s PRO 370 Cb -0.12 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 2pnr s PRO 370 CO 0.17 0.03 -0.00 0.08 0.04 0.00 0.00 177.00 177.32 2pnr s VAL 371 N 0.81 4.24 -0.62 -0.36 1.01 -1.26 -4.89 120.40 119.33 2pnr s VAL 371 Ca 0.44 -0.37 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 2pnr s VAL 371 Cb -0.20 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.48 2pnr s VAL 371 CO 0.23 0.53 0.72 0.12 0.00 0.00 0.00 175.10 176.71 2pnr s PHE 372 N -0.94 3.04 0.35 5.22 5.36 -1.26 -4.65 117.98 125.09 2pnr s PHE 372 Ca 0.15 -1.03 0.04 0.00 -0.96 0.00 0.00 56.93 55.13 2pnr s PHE 372 Cb -0.11 -4.02 -0.03 0.00 -0.34 0.00 0.00 43.02 38.52 2pnr s PHE 372 CO 0.05 -1.29 0.17 0.54 -1.46 0.00 0.00 175.22 173.23 2pnr s ASN 373 N 3.57 2.10 0.53 6.13 2.20 -1.26 -4.69 114.94 123.51 2pnr s ASN 373 Ca 0.12 -1.64 0.19 0.00 -0.94 0.00 0.00 52.86 50.60 2pnr s ASN 373 Cb -0.23 0.45 1.32 0.00 -2.00 0.00 0.00 41.25 40.80 2pnr s ASN 373 CO 0.05 -0.93 2.10 0.11 -2.94 0.00 0.00 177.10 175.49 2pnr h LYS 374 N 2.02 0.00 -0.89 3.55 1.79 -1.98 -0.31 116.57 120.76 2pnr h LYS 374 Ca -0.33 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.18 2pnr h LYS 374 Cb 1.26 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.86 2pnr h LYS 374 CO 0.51 0.00 0.58 1.03 -1.08 0.00 0.00 179.45 180.50 2pnr h SER 375 N 0.00 0.96 -0.20 0.86 0.87 -1.96 -1.03 113.55 113.05 2pnr h SER 375 Ca 0.08 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.46 2pnr h SER 375 Cb 0.31 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2pnr h SER 375 CO -0.00 0.66 -0.54 0.00 -0.53 0.00 0.00 176.83 176.42 2pnr h ALA 376 N 1.48 0.33 -0.93 6.23 0.00 -1.37 -3.26 119.26 121.74 2pnr h ALA 376 Ca 0.35 -0.51 0.23 0.00 0.00 0.00 0.00 54.91 54.98 2pnr h ALA 376 Cb 0.02 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 2pnr h ALA 376 CO -0.10 0.54 0.45 2.35 0.00 0.00 0.00 179.25 182.49 2pnr h TRP 377 N 0.43 0.76 -0.71 0.00 7.01 -0.10 -1.84 115.95 121.50 2pnr h TRP 377 Ca -0.01 0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.09 2pnr h TRP 377 Cb 1.16 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 27.97 2pnr h TRP 377 CO 0.09 -0.02 0.40 0.00 -2.79 0.00 0.00 178.44 176.12 2pnr h ARG 378 N 0.44 0.72 -0.17 2.65 3.08 -1.32 -2.70 114.38 117.08 2pnr h ARG 378 Ca 0.59 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.58 2pnr h ARG 378 Cb 1.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2pnr h ARG 378 CO -0.52 0.47 0.03 0.45 -1.07 0.00 0.00 179.97 179.33 2pnr h HIS 379 N 0.74 0.24 -0.01 3.04 3.86 -1.50 -0.55 115.15 120.96 2pnr h HIS 379 Ca 0.32 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2pnr h HIS 379 Cb 0.20 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2pnr h HIS 379 CO -0.07 0.23 -0.02 0.66 0.86 0.00 0.00 177.93 179.59 2pnr n TYR 380 N -4.42 0.00 -2.38 2.45 4.02 -1.03 -4.02 117.16 111.77 2pnr n TYR 380 Ca -0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 2pnr n TYR 380 Cb 0.15 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.47 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 -0.12 2.90 -5.22 -0.72 4.76 -0.22 -4.94 118.16 114.60 2pnr n LYS 381 Ca 0.19 -4.03 -0.30 0.00 -2.87 0.00 0.00 58.31 51.30 2pnr n LYS 381 Cb 0.31 -2.02 -0.16 0.00 -1.84 0.00 0.00 35.03 31.32 2pnr n LYS 381 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pnr s THR 382 N -4.54 1.93 0.23 -0.18 -4.23 -1.17 -4.94 115.64 102.74 2pnr s THR 382 Ca 0.43 -1.03 -0.08 0.00 -1.18 0.00 0.00 61.69 59.82 2pnr s THR 382 Cb 0.40 -1.61 -0.07 0.00 1.34 0.00 0.00 72.50 72.56 2pnr s THR 382 CO -0.04 0.54 0.54 0.28 -0.54 0.00 0.00 174.62 175.40 2pnr s THR 383 N -0.46 4.97 0.68 3.99 -1.32 -1.26 -5.04 115.64 117.19 2pnr s THR 383 Ca 0.06 0.37 -0.17 0.00 -1.21 0.00 0.00 61.69 60.74 2pnr s THR 383 Cb -0.10 -3.64 -0.03 0.00 -1.51 0.00 0.00 72.50 67.21 2pnr s THR 383 CO 0.00 -0.11 0.72 -2.65 -2.21 0.00 0.00 174.62 170.37 2pnr n PRO 384 N -0.26 0.48 -4.40 7.08 -0.02 -1.26 -4.99 135.00 131.63 2pnr n PRO 384 Ca -0.00 0.21 -0.21 0.00 -2.02 0.00 0.00 63.50 61.47 2pnr n PRO 384 Cb 0.53 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 2pnr n PRO 384 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2pnr s GLU 385 N -2.82 1.72 0.58 -0.52 2.02 -1.26 -5.15 118.70 113.27 2pnr s GLU 385 Ca 0.70 -2.00 -0.13 0.00 0.02 0.00 0.00 54.97 53.55 2pnr s GLU 385 Cb -0.37 -0.30 -0.06 0.00 0.10 0.00 0.00 34.13 33.50 2pnr s GLU 385 CO 0.53 -0.45 1.01 0.00 0.02 0.00 0.00 175.26 176.37 2pnr s ALA 386 N -3.44 3.08 0.13 5.21 0.00 -1.26 -5.01 121.76 120.47 2pnr s ALA 386 Ca 0.32 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2pnr s ALA 386 Cb 0.04 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 2pnr s ALA 386 CO 0.17 -0.51 1.03 0.34 0.00 0.00 0.00 175.76 176.80 2pnr s ASP 387 N -3.71 7.37 0.56 0.00 -1.08 -1.26 -4.91 116.67 113.63 2pnr s ASP 387 Ca 0.57 1.92 0.23 0.00 -0.52 0.00 0.00 52.55 54.75 2pnr s ASP 387 Cb -0.11 -2.59 1.53 0.00 -1.46 0.00 0.00 42.92 40.30 2pnr s ASP 387 CO 0.45 -0.17 2.18 -0.78 0.52 0.00 0.00 175.17 177.37 2pnr h ASP 388 N 5.54 0.00 -2.41 -0.34 3.58 -2.08 -3.44 116.42 117.26 2pnr h ASP 388 Ca -0.43 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.46 2pnr h ASP 388 Cb 1.21 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.13 2pnr h ASP 388 CO 0.73 0.00 -0.57 0.26 -2.88 0.00 0.00 179.24 176.78 2pnr s TRP 389 N -4.85 2.01 0.67 0.28 0.52 -1.26 -5.14 118.94 111.16 2pnr s TRP 389 Ca -0.05 -0.98 -0.14 0.00 0.02 0.00 0.00 56.10 54.94 2pnr s TRP 389 Cb 0.16 -1.41 0.01 0.00 -1.15 0.00 0.00 33.47 31.08 2pnr s TRP 389 CO 0.61 0.06 1.11 -1.54 0.02 0.00 0.00 176.95 177.21 2pnr s SER 390 N -3.63 5.06 -0.08 2.95 1.04 -1.26 -5.07 113.70 112.71 2pnr s SER 390 Ca 0.28 1.97 -0.03 0.00 0.48 0.00 0.00 55.95 58.65 2pnr s SER 390 Cb 0.06 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.68 2pnr s SER 390 CO 0.14 -1.66 0.16 0.20 0.98 0.00 0.00 173.24 173.05 2pnr s ASN 391 N -2.69 0.25 0.66 7.02 0.01 -1.26 -5.14 114.94 113.78 2pnr s ASN 391 Ca 0.66 0.33 -0.17 0.00 -0.71 0.00 0.00 52.86 52.97 2pnr s ASN 391 Cb -0.20 0.24 -0.00 0.00 0.41 0.00 0.00 41.25 41.70 2pnr s ASN 391 CO 0.43 -0.19 1.18 -2.84 -1.51 0.00 0.00 177.10 174.17 2pnr s PRO 392 N 1.67 2.64 0.80 -0.60 0.02 -1.26 -5.03 135.00 133.24 2pnr s PRO 392 Ca -0.04 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 2pnr s PRO 392 Cb -0.12 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 32.57 2pnr s PRO 392 CO -0.06 -1.44 1.09 0.45 -0.33 0.00 0.00 177.00 176.72 2pnr s SER 393 N -1.98 4.29 0.09 2.53 0.15 -1.26 -4.92 113.70 112.59 2pnr s SER 393 Ca 0.74 1.78 0.26 0.00 0.70 0.00 0.00 55.95 59.42 2pnr s SER 393 Cb -0.27 -2.47 0.62 0.00 -1.71 0.00 0.00 66.02 62.19 2pnr s SER 393 CO 0.39 -2.17 1.53 -1.54 1.20 0.00 0.00 173.24 172.65 2pnr n SER 394 N -3.60 0.55 -3.15 5.45 3.41 -1.26 -4.26 113.62 110.76 2pnr n SER 394 Ca 0.09 0.18 -0.18 0.00 -0.26 0.00 0.00 58.87 58.69 2pnr n SER 394 Cb 0.53 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 2pnr n SER 394 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pnr n GLU 395 N -1.88 0.32 -2.11 4.33 1.02 -1.26 -5.15 120.64 115.91 2pnr n GLU 395 Ca 0.05 -2.74 -0.35 0.00 -0.02 0.00 0.00 57.16 54.10 2pnr n GLU 395 Cb 0.40 -1.59 0.02 0.00 -0.02 0.00 0.00 31.44 30.24 2pnr n GLU 395 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2pnr s PRO 396 N 0.35 3.17 0.05 3.49 0.02 -1.26 -4.96 135.00 135.86 2pnr s PRO 396 Ca 0.32 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 2pnr s PRO 396 Cb 0.03 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 2pnr s PRO 396 CO -0.14 -0.99 1.82 0.50 -0.33 0.00 0.00 177.00 177.86 2pnr s ARG 397 N -3.48 4.16 0.09 5.54 3.52 -1.26 -4.92 118.95 122.59 2pnr s ARG 397 Ca 0.72 2.48 -0.31 0.00 -0.13 0.00 0.00 55.73 58.49 2pnr s ARG 397 Cb -0.24 -3.90 -0.09 0.00 -1.56 0.00 0.00 34.95 29.16 2pnr s ARG 397 CO 0.31 -0.87 1.72 0.34 -0.81 0.00 0.00 175.30 175.99 2pnr s ASP 398 N 3.48 6.53 -0.26 -2.12 2.15 -1.26 -4.91 116.67 120.28 2pnr s ASP 398 Ca 0.81 2.59 -0.29 0.00 0.43 0.00 0.00 52.55 56.09 2pnr s ASP 398 Cb -0.41 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.62 2pnr s ASP 398 CO 0.36 -0.93 1.60 0.00 -0.17 0.00 0.00 175.17 176.03 2pnr s ALA 399 N 2.67 3.19 0.00 3.66 0.00 -1.26 -5.34 121.76 124.68 2pnr s ALA 399 Ca 0.77 0.35 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2pnr s ALA 399 Cb -0.42 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2pnr s ALA 399 CO 0.34 -2.09 0.00 0.43 0.00 0.00 0.00 175.76 174.44