#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnr h GLN 15 N 0.00 -0.35 -0.64 1.64 1.08 -2.06 -0.95 115.11 113.84 2pnr h GLN 15 Ca 0.00 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.31 2pnr h GLN 15 Cb 0.00 0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.44 2pnr h GLN 15 CO 0.00 -0.23 0.29 0.82 -0.95 0.00 0.00 178.83 178.76 2pnr h ILE 16 N -0.36 0.84 -0.90 2.54 2.04 -1.98 -0.82 117.51 118.87 2pnr h ILE 16 Ca 0.09 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2pnr h ILE 16 Cb 0.50 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 2pnr h ILE 16 CO -0.32 0.09 0.57 -0.08 0.00 0.00 0.00 178.15 178.41 2pnr h GLU 17 N 0.52 1.01 -0.43 2.37 4.57 -1.83 0.32 114.58 121.10 2pnr h GLU 17 Ca 0.31 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 2pnr h GLU 17 Cb 0.33 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2pnr h GLU 17 CO -0.26 0.67 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.14 2pnr h ARG 18 N 1.04 0.76 0.00 1.92 2.43 0.17 -2.91 114.38 117.80 2pnr h ARG 18 Ca 0.38 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2pnr h ARG 18 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2pnr h ARG 18 CO -0.16 0.84 -0.45 1.88 -1.51 0.00 0.00 179.97 180.57 2pnr h TYR 19 N 0.60 0.00 0.00 2.20 0.05 -0.79 -3.25 116.97 115.78 2pnr h TYR 19 Ca 0.12 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 2pnr h TYR 19 Cb 0.50 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2pnr h TYR 19 CO 0.04 0.45 -0.36 0.66 -1.05 0.00 0.00 178.16 177.90 2pnr h SER 20 N 0.00 0.00 0.80 3.88 4.64 -0.29 -3.00 113.55 119.57 2pnr h SER 20 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnr h SER 20 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2pnr h SER 20 CO 0.06 0.36 -0.02 -1.14 -0.87 0.00 0.00 176.83 175.22 2pnr n ARG 21 N -3.32 0.19 -2.70 4.77 0.63 -1.11 -4.75 116.66 110.38 2pnr n ARG 21 Ca 0.01 -0.01 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 2pnr n ARG 21 Cb 0.58 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.94 2pnr n ARG 21 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2pnr s PHE 22 N -2.82 3.90 -0.18 -0.14 2.99 -1.13 -5.04 117.98 115.56 2pnr s PHE 22 Ca 0.20 1.87 -0.11 0.00 0.00 0.00 0.00 56.93 58.88 2pnr s PHE 22 Cb 0.19 -3.04 -0.05 0.00 0.00 0.00 0.00 43.02 40.12 2pnr s PHE 22 CO 0.51 0.25 0.20 -1.12 -0.00 0.00 0.00 175.22 175.06 2pnr s SER 23 N -1.00 6.32 0.23 1.36 0.01 -1.26 -4.89 113.70 114.47 2pnr s SER 23 Ca 0.42 0.37 -0.29 0.00 1.31 0.00 0.00 55.95 57.76 2pnr s SER 23 Cb -0.27 -2.13 -0.16 0.00 0.21 0.00 0.00 66.02 63.68 2pnr s SER 23 CO 0.33 0.16 0.83 -2.65 0.41 0.00 0.00 173.24 172.32 2pnr n PRO 24 N 3.44 0.73 -3.58 12.44 -0.02 -1.26 -4.94 135.00 141.80 2pnr n PRO 24 Ca -0.14 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 2pnr n PRO 24 Cb 0.52 -1.49 -0.11 0.00 -0.02 0.00 0.00 33.50 32.40 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 -0.66 5.78 0.18 2.55 0.01 -1.26 -5.05 113.70 115.25 2pnr s SER 25 Ca 0.63 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 2pnr s SER 25 Cb -0.83 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.27 2pnr s SER 25 CO 0.57 -0.31 1.17 -2.84 0.41 0.00 0.00 173.24 172.24 2pnr s PRO 26 N 1.62 4.52 0.05 12.44 0.02 -1.26 -5.05 135.00 147.33 2pnr s PRO 26 Ca 0.04 1.83 0.09 0.00 0.02 0.00 0.00 61.00 62.98 2pnr s PRO 26 Cb -0.18 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 2pnr s PRO 26 CO 0.08 -0.05 -0.25 -0.51 -0.33 0.00 0.00 177.00 175.94 2pnr s LEU 27 N -0.24 2.25 0.37 -5.54 1.43 -1.26 -4.84 118.68 110.85 2pnr s LEU 27 Ca 0.52 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2pnr s LEU 27 Cb -0.32 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2pnr s LEU 27 CO 0.36 0.26 0.55 -0.94 0.23 0.00 0.00 176.35 176.80 2pnr s SER 28 N -1.29 5.99 0.47 2.29 1.04 -1.26 -0.41 113.70 120.52 2pnr s SER 28 Ca 0.12 0.09 0.15 0.00 0.48 0.00 0.00 55.95 56.79 2pnr s SER 28 Cb -0.10 -1.50 1.07 0.00 0.10 0.00 0.00 66.02 65.59 2pnr s SER 28 CO 0.03 -0.49 2.03 0.40 0.98 0.00 0.00 173.24 176.19 2pnr h ILE 29 N 0.71 1.10 -0.48 -1.02 2.04 -1.07 -1.54 117.51 117.25 2pnr h ILE 29 Ca -0.47 -0.45 -0.14 0.00 1.00 0.00 0.00 64.86 64.80 2pnr h ILE 29 Cb 1.25 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 2pnr h ILE 29 CO 0.56 0.13 -0.23 0.50 0.00 0.00 0.00 178.15 179.11 2pnr h LYS 30 N 0.01 1.00 -0.30 2.37 3.64 -1.80 0.37 116.57 121.86 2pnr h LYS 30 Ca 0.00 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 58.92 2pnr h LYS 30 Cb 0.23 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2pnr h LYS 30 CO 0.02 1.12 0.08 1.96 -2.27 0.00 0.00 179.45 180.35 2pnr h GLN 31 N 0.86 0.47 -0.89 1.90 4.20 -1.68 0.02 115.11 119.99 2pnr h GLN 31 Ca 0.11 -0.11 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2pnr h GLN 31 Cb 0.81 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 2pnr h GLN 31 CO 0.07 0.54 0.56 0.74 -0.67 0.00 0.00 178.83 180.07 2pnr h PHE 32 N 0.32 1.03 -0.21 2.96 0.04 -1.12 -0.96 116.94 119.00 2pnr h PHE 32 Ca 0.09 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.72 2pnr h PHE 32 Cb 0.27 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.09 2pnr h PHE 32 CO 0.01 0.52 -0.54 1.25 -0.60 0.00 0.00 178.31 178.95 2pnr h LEU 33 N 1.01 0.84 0.39 1.54 5.85 -0.70 -3.12 115.31 121.12 2pnr h LEU 33 Ca 0.39 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 2pnr h LEU 33 Cb 0.18 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2pnr h LEU 33 CO -0.18 1.26 -0.19 0.44 -0.34 0.00 0.00 178.44 179.43 2pnr h ASP 34 N 0.46 -0.44 -0.47 1.25 3.32 -0.69 -2.64 116.42 117.21 2pnr h ASP 34 Ca -0.01 -0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.02 2pnr h ASP 34 Cb 1.15 0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 2pnr h ASP 34 CO 0.12 -0.12 -0.10 0.15 -1.72 0.00 0.00 179.24 177.56 2pnr h PHE 35 N -0.78 -0.22 -0.05 4.55 3.57 -1.29 -0.84 116.94 121.88 2pnr h PHE 35 Ca -0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2pnr h PHE 35 Cb 0.53 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.44 2pnr h PHE 35 CO 0.01 -0.19 0.00 0.41 -2.23 0.00 0.00 178.31 176.31 2pnr n GLY 36 N -1.34 -0.60 0.06 2.40 0.00 -1.18 0.10 105.19 104.64 2pnr n GLY 36 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 2pnr n GLY 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pnr n ARG 37 N -0.46 1.14 -0.03 1.61 0.63 -0.62 -4.64 116.66 114.29 2pnr n ARG 37 Ca 0.16 0.04 -0.04 0.00 -0.92 0.00 0.00 57.85 57.10 2pnr n ARG 37 Cb 0.16 -1.28 -0.01 0.00 0.45 0.00 0.00 32.46 31.77 2pnr n ARG 37 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2pnr n ASP 38 N -2.70 0.95 0.00 6.15 2.03 -0.42 -4.90 116.55 117.67 2pnr n ASP 38 Ca -0.22 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.25 2pnr n ASP 38 Cb 0.81 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 2pnr n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2pnr n ASN 39 N -3.45 0.00 -2.69 1.67 4.05 -0.79 -4.91 115.26 109.15 2pnr n ASN 39 Ca -0.06 0.28 -0.18 0.00 0.45 0.00 0.00 54.58 55.07 2pnr n ASN 39 Cb 0.22 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.28 2pnr n ASN 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2pnr n ALA 40 N -1.39 -0.90 -2.85 5.20 0.00 0.12 -4.95 120.51 115.73 2pnr n ALA 40 Ca 0.00 0.28 -0.44 0.00 0.00 0.00 0.00 53.44 53.28 2pnr n ALA 40 Cb 0.00 -3.85 -0.05 0.00 0.00 0.00 0.00 19.45 15.55 2pnr n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pnr h GLU 42 N 9.25 0.38 -0.25 0.00 4.81 -1.99 -1.80 114.58 124.99 2pnr h GLU 42 Ca -0.28 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2pnr h GLU 42 Cb 1.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 2pnr h GLU 42 CO 1.08 0.25 0.14 0.87 -0.73 0.00 0.00 179.01 180.62 2pnr h LYS 43 N 0.39 0.34 0.85 1.92 1.57 -1.95 -2.22 116.57 117.47 2pnr h LYS 43 Ca 0.31 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 2pnr h LYS 43 Cb 0.68 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.92 2pnr h LYS 43 CO -0.09 0.30 -0.41 1.15 -0.57 0.00 0.00 179.45 179.83 2pnr h THR 44 N 0.30 0.09 -0.94 -0.16 2.02 -1.77 -2.30 112.91 110.15 2pnr h THR 44 Ca 0.09 -0.09 0.29 0.00 0.77 0.00 0.00 66.41 67.46 2pnr h THR 44 Cb 0.05 0.11 -0.16 0.00 -1.74 0.00 0.00 68.15 66.41 2pnr h THR 44 CO -0.01 0.00 0.31 -1.28 0.37 0.00 0.00 175.52 174.90 2pnr h SER 45 N -1.23 0.05 -0.03 4.18 0.87 -1.41 0.53 113.55 116.51 2pnr h SER 45 Ca -0.12 0.22 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2pnr h SER 45 Cb 0.89 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 2pnr h SER 45 CO 0.19 -0.24 -0.19 0.22 -0.53 0.00 0.00 176.83 176.29 2pnr h TYR 46 N 0.16 -0.50 -0.91 2.24 3.20 -1.18 0.17 116.97 120.16 2pnr h TYR 46 Ca 0.64 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.59 2pnr h TYR 46 Cb 1.42 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.86 2pnr h TYR 46 CO -0.22 -0.27 0.59 0.52 -1.64 0.00 0.00 178.16 177.14 2pnr h MET 47 N -0.29 1.03 0.32 1.82 2.86 0.52 -1.24 114.93 119.95 2pnr h MET 47 Ca 0.07 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2pnr h MET 47 Cb 0.38 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2pnr h MET 47 CO -0.20 0.68 -0.16 0.35 1.06 0.00 0.00 176.91 178.64 2pnr h PHE 48 N 1.06 -0.40 -0.18 -0.22 3.57 -0.15 -3.33 116.94 117.29 2pnr h PHE 48 Ca 0.38 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2pnr h PHE 48 Cb 0.15 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2pnr h PHE 48 CO -0.00 -0.09 0.12 -0.07 -2.23 0.00 0.00 178.31 176.04 2pnr h LEU 49 N -0.98 0.21 -0.75 0.59 3.38 -0.63 -0.87 115.31 116.26 2pnr h LEU 49 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2pnr h LEU 49 Cb 0.50 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2pnr h LEU 49 CO 0.07 0.16 0.00 0.08 0.09 0.00 0.00 178.44 178.84 2pnr h ARG 50 N 0.25 0.00 0.00 1.13 0.11 -1.33 -1.81 114.38 112.73 2pnr h ARG 50 Ca 0.07 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.84 2pnr h ARG 50 Cb -0.02 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.01 2pnr h ARG 50 CO -0.01 0.00 -2.06 1.63 0.10 0.00 0.00 179.97 179.63 2pnr n LYS 51 N -2.39 0.42 -0.06 0.08 5.02 -0.95 -4.48 118.16 115.81 2pnr n LYS 51 Ca 0.02 0.16 -0.11 0.00 -2.02 0.00 0.00 58.31 56.36 2pnr n LYS 51 Cb 0.26 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 2pnr n LYS 51 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2pnr h GLU 52 N -0.48 0.30 0.30 1.97 4.57 -1.20 -2.51 114.58 117.54 2pnr h GLU 52 Ca -0.46 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 2pnr h GLU 52 Cb 1.49 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 2pnr h GLU 52 CO -0.23 0.34 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.65 2pnr h LEU 53 N 0.19 -0.59 -2.32 1.64 3.38 -1.56 0.47 115.31 116.53 2pnr h LEU 53 Ca 0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2pnr h LEU 53 Cb 0.14 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2pnr h LEU 53 CO -0.01 -0.35 0.00 1.55 0.09 0.00 0.00 178.44 179.72 2pnr h PRO 54 N -0.53 0.00 -0.05 1.13 0.13 -1.76 0.18 132.00 131.10 2pnr h PRO 54 Ca -0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 2pnr h PRO 54 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 2pnr h PRO 54 CO -0.00 0.00 -0.24 0.28 -0.23 0.00 0.00 178.00 177.81 2pnr h VAL 55 N 0.00 1.46 -0.42 1.56 2.07 -0.68 -1.45 116.25 118.79 2pnr h VAL 55 Ca 0.00 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 2pnr h VAL 55 Cb 0.09 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 2pnr h VAL 55 CO 0.00 0.48 0.05 0.03 0.02 0.00 0.00 177.57 178.14 2pnr h ARG 56 N -0.30 0.64 0.00 1.57 3.08 0.27 -2.33 114.38 117.32 2pnr h ARG 56 Ca -0.02 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2pnr h ARG 56 Cb 0.90 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 2pnr h ARG 56 CO 0.05 0.63 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.07 2pnr h LEU 57 N 0.62 0.00 0.21 3.04 3.38 -0.68 -2.98 115.31 118.90 2pnr h LEU 57 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2pnr h LEU 57 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2pnr h LEU 57 CO 0.01 0.44 -0.10 0.00 0.09 0.00 0.00 178.44 178.88 2pnr h ALA 58 N 1.56 -0.28 -0.44 1.53 0.00 -0.73 -2.75 119.26 118.15 2pnr h ALA 58 Ca -0.00 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.79 2pnr h ALA 58 Cb 0.90 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2pnr h ALA 58 CO 0.06 -0.43 0.30 -0.91 0.00 0.00 0.00 179.25 178.27 2pnr h ASN 59 N -0.75 0.17 0.68 0.00 2.35 -1.46 0.02 115.58 116.59 2pnr h ASN 59 Ca -0.03 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.51 2pnr h ASN 59 Cb 0.50 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 2pnr h ASN 59 CO 0.05 0.11 -0.95 0.74 -1.65 0.00 0.00 177.43 175.72 2pnr h THR 60 N 0.19 1.54 0.00 2.81 2.02 -1.56 -3.28 112.91 114.63 2pnr h THR 60 Ca 0.20 -2.84 -0.11 0.00 0.77 0.00 0.00 66.41 64.44 2pnr h THR 60 Cb 0.55 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 2pnr h THR 60 CO -0.03 0.82 -0.50 0.24 0.37 0.00 0.00 175.52 176.42 2pnr h MET 61 N 0.08 0.00 -0.12 6.66 2.86 -0.71 -1.25 114.93 122.45 2pnr h MET 61 Ca -0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2pnr h MET 61 Cb 1.62 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.28 2pnr h MET 61 CO 0.14 0.50 -0.06 0.00 1.06 0.00 0.00 176.91 178.56 2pnr h ARG 62 N 0.00 0.24 -0.21 1.72 2.47 -1.38 -2.72 114.38 114.50 2pnr h ARG 62 Ca -0.01 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 2pnr h ARG 62 Cb 0.92 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.23 2pnr h ARG 62 CO 0.07 0.59 0.08 0.93 0.56 0.00 0.00 179.97 182.19 2pnr h GLU 63 N -0.11 0.32 -0.67 0.04 5.08 -1.60 -2.09 114.58 115.55 2pnr h GLU 63 Ca 0.03 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.48 2pnr h GLU 63 Cb 0.51 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2pnr h GLU 63 CO 0.02 0.39 0.46 -0.24 -1.00 0.00 0.00 179.01 178.63 2pnr h VAL 64 N 0.18 0.76 -0.00 3.13 3.04 -1.25 0.40 116.25 122.51 2pnr h VAL 64 Ca 0.07 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2pnr h VAL 64 Cb 0.19 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 2pnr h VAL 64 CO -0.00 0.04 -0.01 -3.20 -1.01 0.00 0.00 177.57 173.38 2pnr n ASN 65 N -4.43 0.17 -1.32 3.17 5.15 -0.82 -2.45 115.26 114.73 2pnr n ASN 65 Ca 0.13 -0.76 0.10 0.00 -0.60 0.00 0.00 54.58 53.44 2pnr n ASN 65 Cb 0.57 -0.08 0.31 0.00 -0.53 0.00 0.00 39.78 40.05 2pnr n ASN 65 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2pnr n LEU 66 N -0.98 4.10 -4.74 1.20 7.99 0.14 -4.96 117.00 119.74 2pnr n LEU 66 Ca 0.20 -2.19 -0.41 0.00 -0.01 0.00 0.00 56.01 53.60 2pnr n LEU 66 Cb 0.18 -0.49 -0.04 0.00 -0.11 0.00 0.00 43.42 42.96 2pnr n LEU 66 CO 0.20 0.88 0.75 -0.76 -1.51 0.00 0.00 177.39 176.95 2pnr s LEU 67 N -1.36 4.52 -0.06 2.23 1.02 -1.03 -4.91 118.68 119.09 2pnr s LEU 67 Ca 0.46 2.04 -0.36 0.00 0.02 0.00 0.00 54.13 56.30 2pnr s LEU 67 Cb 0.27 -3.61 -0.13 0.00 0.02 0.00 0.00 46.19 42.74 2pnr s LEU 67 CO 0.27 -0.13 1.75 -0.81 0.02 0.00 0.00 176.35 177.45 2pnr n PRO 68 N 2.17 1.87 -0.37 1.29 -0.04 -1.26 -4.54 135.00 134.11 2pnr n PRO 68 Ca 0.01 0.68 0.29 0.00 -0.04 0.00 0.00 63.50 64.45 2pnr n PRO 68 Cb 0.47 -2.46 0.56 0.00 -0.04 0.00 0.00 33.50 32.02 2pnr n PRO 68 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2pnr h ASP 69 N 7.76 0.38 0.07 3.54 1.82 -1.97 0.23 116.42 128.25 2pnr h ASP 69 Ca -0.47 0.16 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2pnr h ASP 69 Cb 1.28 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.42 2pnr h ASP 69 CO 0.92 -0.14 0.00 0.59 -1.61 0.00 0.00 179.24 179.00 2pnr n ASN 70 N -4.86 0.00 -0.07 2.28 5.03 -1.26 0.26 115.26 116.65 2pnr n ASN 70 Ca 0.33 0.25 -0.13 0.00 0.87 0.00 0.00 54.58 55.90 2pnr n ASN 70 Cb 1.17 -0.30 -0.06 0.00 -1.02 0.00 0.00 39.78 39.57 2pnr n ASN 70 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2pnr n LEU 71 N -1.30 1.80 0.12 3.41 7.94 0.79 -4.31 117.00 125.45 2pnr n LEU 71 Ca 0.02 0.08 0.16 0.00 -1.11 0.00 0.00 56.01 55.16 2pnr n LEU 71 Cb 0.03 -0.45 0.71 0.00 0.53 0.00 0.00 43.42 44.24 2pnr n LEU 71 CO 0.03 0.47 1.14 0.25 -1.11 0.00 0.00 177.39 178.17 2pnr h LEU 72 N -0.32 0.00 0.04 -1.96 6.46 -1.14 -1.56 115.31 116.84 2pnr h LEU 72 Ca -0.35 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2pnr h LEU 72 Cb 1.38 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.26 2pnr h LEU 72 CO -0.16 0.00 -0.48 -1.13 -0.62 0.00 0.00 178.44 176.05 2pnr h ASN 73 N 0.00 -1.46 -0.92 1.25 -0.73 -0.40 -3.37 115.58 109.96 2pnr h ASN 73 Ca 0.14 0.17 -0.41 0.00 1.87 0.00 0.00 56.30 58.07 2pnr h ASN 73 Cb 0.62 0.56 0.09 0.00 0.27 0.00 0.00 38.32 39.85 2pnr h ASN 73 CO -0.00 -0.51 -0.51 0.54 -0.37 0.00 0.00 177.43 176.58 2pnr n ARG 74 N -5.47 0.00 0.18 6.67 5.12 -0.59 -4.63 116.66 117.95 2pnr n ARG 74 Ca -0.07 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.70 2pnr n ARG 74 Cb 0.39 -0.64 -0.07 0.00 -1.16 0.00 0.00 32.46 30.98 2pnr n ARG 74 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2pnr h PRO 75 N 0.37 -0.65 -0.56 5.56 0.11 -1.88 -1.51 132.00 133.43 2pnr h PRO 75 Ca -0.22 0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.97 2pnr h PRO 75 Cb 0.93 0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2pnr h PRO 75 CO 0.33 -0.43 0.37 0.77 -0.21 0.00 0.00 178.00 178.83 2pnr h SER 76 N -0.67 0.56 -0.10 -2.05 0.02 -1.91 -2.29 113.55 107.10 2pnr h SER 76 Ca -0.00 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.73 2pnr h SER 76 Cb 0.64 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.06 2pnr h SER 76 CO -0.12 0.39 -0.75 0.58 -1.14 0.00 0.00 176.83 175.79 2pnr h VAL 77 N 0.65 1.29 -0.25 2.27 2.07 -1.80 -2.82 116.25 117.66 2pnr h VAL 77 Ca 0.22 -1.97 0.06 0.00 0.82 0.00 0.00 66.70 65.83 2pnr h VAL 77 Cb 0.09 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 2pnr h VAL 77 CO -0.06 0.62 -0.11 1.23 0.02 0.00 0.00 177.57 179.27 2pnr h GLY 78 N 0.68 0.10 -0.50 2.17 0.00 -0.72 -0.98 103.07 103.81 2pnr h GLY 78 Ca -0.04 0.14 0.27 0.00 0.00 0.00 0.00 47.33 47.70 2pnr h GLY 78 CO 0.15 -0.14 0.35 -2.00 0.00 0.00 0.00 176.54 174.91 2pnr h LEU 79 N -0.08 0.17 -0.01 3.11 5.85 -1.38 -1.46 115.31 121.51 2pnr h LEU 79 Ca 0.13 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 2pnr h LEU 79 Cb 0.28 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2pnr h LEU 79 CO -0.30 -0.16 -0.03 0.58 -0.34 0.00 0.00 178.44 178.19 2pnr h VAL 80 N 0.24 1.53 -0.72 1.05 2.07 -1.01 -2.46 116.25 116.96 2pnr h VAL 80 Ca 0.62 -1.60 0.10 0.00 0.82 0.00 0.00 66.70 66.64 2pnr h VAL 80 Cb 1.33 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 33.64 2pnr h VAL 80 CO -0.65 0.42 0.47 -0.61 0.02 0.00 0.00 177.57 177.22 2pnr h GLN 81 N -0.62 0.59 -0.04 1.57 4.15 -0.20 -0.60 115.11 119.96 2pnr h GLN 81 Ca -0.00 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 2pnr h GLN 81 Cb 0.71 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2pnr h GLN 81 CO 0.01 0.39 -0.23 0.66 -1.93 0.00 0.00 178.83 177.73 2pnr h SER 82 N 0.61 0.27 -0.76 -0.69 4.64 -1.45 -2.79 113.55 113.37 2pnr h SER 82 Ca 0.33 -0.66 0.16 0.00 -0.47 0.00 0.00 61.79 61.15 2pnr h SER 82 Cb 0.48 -0.08 -0.11 0.00 -0.31 0.00 0.00 62.40 62.38 2pnr h SER 82 CO -0.11 0.89 0.23 -0.50 -0.87 0.00 0.00 176.83 176.47 2pnr h TRP 83 N -0.32 0.38 -0.41 4.77 6.55 -0.66 0.54 115.95 126.80 2pnr h TRP 83 Ca -0.02 0.04 -0.07 0.00 0.95 0.00 0.00 58.89 59.80 2pnr h TRP 83 Cb 0.89 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 29.12 2pnr h TRP 83 CO 0.14 -0.05 -0.02 1.88 -1.05 0.00 0.00 178.44 179.34 2pnr h TYR 84 N 0.33 0.80 -0.51 0.49 -1.99 -1.26 -2.28 116.97 112.54 2pnr h TYR 84 Ca 0.44 -0.15 0.07 0.00 2.00 0.00 0.00 58.73 61.09 2pnr h TYR 84 Cb 0.74 -0.21 -0.06 0.00 2.00 0.00 0.00 36.73 39.20 2pnr h TYR 84 CO -0.22 0.81 0.17 1.98 -0.00 0.00 0.00 178.16 180.90 2pnr h MET 85 N 0.56 0.33 -0.13 4.88 1.85 -0.58 0.11 114.93 121.95 2pnr h MET 85 Ca 0.11 -0.02 0.04 0.00 -0.61 0.00 0.00 59.70 59.23 2pnr h MET 85 Cb 0.51 -0.07 -0.05 0.00 0.43 0.00 0.00 31.60 32.41 2pnr h MET 85 CO 0.02 0.22 -0.18 0.37 -0.40 0.00 0.00 176.91 176.94 2pnr h GLN 86 N 0.34 -0.23 -0.46 0.39 4.15 0.20 -1.36 115.11 118.15 2pnr h GLN 86 Ca 0.25 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 2pnr h GLN 86 Cb 0.28 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2pnr h GLN 86 CO -0.27 -0.15 0.14 0.77 -1.93 0.00 0.00 178.83 177.40 2pnr h SER 87 N -0.23 0.67 -0.50 -0.69 0.02 -0.97 -1.24 113.55 110.61 2pnr h SER 87 Ca 0.10 -0.21 0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2pnr h SER 87 Cb 0.38 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 2pnr h SER 87 CO -0.27 0.70 0.15 0.15 -1.14 0.00 0.00 176.83 176.42 2pnr h PHE 88 N 0.61 0.26 0.40 3.45 3.57 -0.33 -1.77 116.94 123.13 2pnr h PHE 88 Ca 0.15 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2pnr h PHE 88 Cb 0.27 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2pnr h PHE 88 CO 0.01 0.06 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.89 2pnr h LEU 89 N 0.31 -0.46 -1.12 0.59 3.38 -1.07 -2.74 115.31 114.20 2pnr h LEU 89 Ca 0.25 -0.09 0.35 0.00 0.09 0.00 0.00 57.88 58.48 2pnr h LEU 89 Cb 0.30 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.02 2pnr h LEU 89 CO -0.28 -0.02 0.64 -0.33 0.09 0.00 0.00 178.44 178.53 2pnr h GLU 90 N -1.05 0.24 0.00 1.13 5.08 -1.19 1.00 114.58 119.79 2pnr h GLU 90 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2pnr h GLU 90 Cb 0.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2pnr h GLU 90 CO 0.09 0.16 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.08 2pnr h LEU 91 N 0.24 0.00 0.00 1.33 3.38 -1.34 -3.25 115.31 115.67 2pnr h LEU 91 Ca 0.75 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.71 2pnr h LEU 91 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 2pnr h LEU 91 CO -0.56 0.01 -0.22 -0.11 0.09 0.00 0.00 178.44 177.65 2pnr n LEU 92 N -2.69 0.34 0.09 1.67 7.94 0.34 -3.33 117.00 121.37 2pnr n LEU 92 Ca 0.04 0.33 0.11 0.00 -1.11 0.00 0.00 56.01 55.38 2pnr n LEU 92 Cb 0.49 -0.36 0.45 0.00 0.53 0.00 0.00 43.42 44.52 2pnr n LEU 92 CO 0.33 0.01 0.83 -0.62 -1.11 0.00 0.00 177.39 176.83 2pnr n GLU 93 N -1.68 0.15 -0.63 1.96 1.02 -1.07 -1.21 120.64 119.19 2pnr n GLU 93 Ca 0.06 0.36 0.07 0.00 -0.02 0.00 0.00 57.16 57.63 2pnr n GLU 93 Cb 0.36 -1.77 0.32 0.00 -0.02 0.00 0.00 31.44 30.34 2pnr n GLU 93 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2pnr n TYR 94 N -2.05 1.49 -0.11 -0.32 4.02 -1.21 -4.44 117.16 114.55 2pnr n TYR 94 Ca 0.03 -0.56 -0.07 0.00 -0.01 0.00 0.00 57.90 57.29 2pnr n TYR 94 Cb 0.23 -0.31 -0.00 0.00 -0.02 0.00 0.00 39.34 39.23 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 3.48 -0.20 -1.62 -0.72 4.57 -1.36 -3.21 114.58 115.52 2pnr h GLU 95 Ca 0.00 0.01 -0.46 0.00 -1.18 0.00 0.00 59.36 57.73 2pnr h GLU 95 Cb 1.48 0.05 -0.40 0.00 -0.16 0.00 0.00 28.75 29.71 2pnr h GLU 95 CO 0.29 -0.14 -1.08 0.27 -1.18 0.00 0.00 179.01 177.17 2pnr n ASN 96 N -5.40 1.89 -4.88 1.04 6.94 -1.26 -5.07 115.26 108.52 2pnr n ASN 96 Ca 0.01 -3.06 -0.27 0.00 -0.02 0.00 0.00 54.58 51.25 2pnr n ASN 96 Cb 0.32 -0.56 -0.04 0.00 -2.36 0.00 0.00 39.78 37.13 2pnr n ASN 96 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2pnr s LYS 97 N -2.92 3.22 -0.21 -3.83 1.02 -1.21 -5.09 119.74 110.71 2pnr s LYS 97 Ca 0.37 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.52 2pnr s LYS 97 Cb 0.39 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2pnr s LYS 97 CO -0.05 0.53 0.44 0.45 -0.92 0.00 0.00 175.35 175.79 2pnr s SER 98 N -3.02 6.45 0.53 2.83 0.15 -1.26 -4.94 113.70 114.44 2pnr s SER 98 Ca 0.33 0.54 0.35 0.00 0.70 0.00 0.00 55.95 57.87 2pnr s SER 98 Cb -0.11 -2.25 1.84 0.00 -1.71 0.00 0.00 66.02 63.79 2pnr s SER 98 CO 0.26 -0.14 2.08 1.55 1.20 0.00 0.00 173.24 178.19 2pnr h PRO 99 N 7.55 0.00 -0.79 5.44 0.13 -1.98 -3.10 132.00 139.25 2pnr h PRO 99 Ca -0.34 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.95 2pnr h PRO 99 Cb 1.16 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 2pnr h PRO 99 CO 0.71 0.00 0.31 0.93 -0.23 0.00 0.00 178.00 179.72 2pnr h GLU 100 N 0.00 0.40 -6.12 0.86 4.39 -2.00 -3.36 114.58 108.75 2pnr h GLU 100 Ca 0.00 -0.02 -0.59 0.00 0.34 0.00 0.00 59.36 59.08 2pnr h GLU 100 Cb 0.09 -0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 28.56 2pnr h GLU 100 CO 0.00 0.27 0.62 0.34 -1.16 0.00 0.00 179.01 179.08 2pnr s ASP 101 N -5.30 6.67 0.49 1.42 2.15 -1.17 -4.90 116.67 116.03 2pnr s ASP 101 Ca -0.12 0.55 0.35 0.00 0.43 0.00 0.00 52.55 53.75 2pnr s ASP 101 Cb 0.22 -2.47 1.49 0.00 -0.30 0.00 0.00 42.92 41.86 2pnr s ASP 101 CO 0.77 -0.89 1.69 1.55 -0.17 0.00 0.00 175.17 178.11 2pnr h PRO 102 N 8.55 0.09 -0.62 4.34 0.13 -1.90 0.11 132.00 142.70 2pnr h PRO 102 Ca -0.23 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2pnr h PRO 102 Cb 1.08 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2pnr h PRO 102 CO 0.99 0.06 0.41 0.37 -0.23 0.00 0.00 178.00 179.60 2pnr h GLN 103 N 0.09 0.81 -0.50 0.86 5.75 -1.90 -1.32 115.11 118.90 2pnr h GLN 103 Ca 0.73 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 59.21 2pnr h GLN 103 Cb 2.59 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 30.93 2pnr h GLN 103 CO -0.18 0.53 0.29 0.28 -2.65 0.00 0.00 178.83 177.10 2pnr h VAL 104 N 0.83 1.03 -0.28 2.39 2.07 -1.07 -1.87 116.25 119.35 2pnr h VAL 104 Ca 0.23 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2pnr h VAL 104 Cb -0.08 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2pnr h VAL 104 CO -0.05 0.10 -0.03 -0.07 0.02 0.00 0.00 177.57 177.55 2pnr h LEU 105 N 0.57 0.41 -0.32 2.57 4.07 -1.36 0.66 115.31 121.91 2pnr h LEU 105 Ca 0.20 -0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.92 2pnr h LEU 105 Cb 0.04 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 2pnr h LEU 105 CO -0.10 0.49 -0.47 0.44 -1.08 0.00 0.00 178.44 177.72 2pnr h ASP 106 N 0.42 0.96 -0.10 -0.43 5.19 -0.78 -0.57 116.42 121.11 2pnr h ASP 106 Ca 0.09 -0.51 -0.04 0.00 -0.62 0.00 0.00 57.03 55.95 2pnr h ASP 106 Cb 0.32 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 2pnr h ASP 106 CO 0.01 1.28 -0.09 0.78 -3.12 0.00 0.00 179.24 178.10 2pnr h ASN 107 N 0.67 0.25 -0.94 6.45 -0.26 -1.20 -2.00 115.58 118.55 2pnr h ASN 107 Ca 0.03 -0.48 0.14 0.00 -0.56 0.00 0.00 56.30 55.43 2pnr h ASN 107 Cb 1.08 -0.07 -0.09 0.00 -1.06 0.00 0.00 38.32 38.18 2pnr h ASN 107 CO 0.11 0.68 0.55 0.15 -1.06 0.00 0.00 177.43 177.86 2pnr h PHE 108 N -0.18 0.99 0.00 1.19 3.57 -0.84 0.51 116.94 122.19 2pnr h PHE 108 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2pnr h PHE 108 Cb 0.61 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2pnr h PHE 108 CO 0.09 0.32 -0.20 1.25 -2.23 0.00 0.00 178.31 177.54 2pnr h LEU 109 N 0.82 0.00 0.00 0.59 5.85 -0.91 -1.11 115.31 120.55 2pnr h LEU 109 Ca 0.49 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 59.01 2pnr h LEU 109 Cb 0.60 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2pnr h LEU 109 CO -0.31 0.20 -1.02 1.56 -0.34 0.00 0.00 178.44 178.53 2pnr h GLN 110 N 0.00 0.00 -0.39 1.25 4.20 0.60 -2.96 115.11 117.81 2pnr h GLN 110 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 2pnr h GLN 110 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2pnr h GLN 110 CO 0.03 0.84 -0.28 0.28 -0.67 0.00 0.00 178.83 179.03 2pnr h VAL 111 N 0.00 1.28 -0.47 -0.54 2.07 0.29 -2.45 116.25 116.43 2pnr h VAL 111 Ca -0.05 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.05 2pnr h VAL 111 Cb 1.73 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 2pnr h VAL 111 CO 0.11 0.48 0.30 -0.07 0.02 0.00 0.00 177.57 178.41 2pnr h LEU 112 N 0.69 0.50 -1.82 2.57 3.38 -1.28 -0.95 115.31 118.40 2pnr h LEU 112 Ca 0.08 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2pnr h LEU 112 Cb 0.86 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2pnr h LEU 112 CO 0.07 0.36 0.20 0.40 0.09 0.00 0.00 178.44 179.56 2pnr h ILE 113 N 0.60 0.98 0.06 1.22 2.04 -1.35 -0.09 117.51 120.97 2pnr h ILE 113 Ca 0.18 -0.08 -0.28 0.00 1.00 0.00 0.00 64.86 65.68 2pnr h ILE 113 Cb -0.03 0.73 0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2pnr h ILE 113 CO -0.06 0.04 -1.14 0.50 0.00 0.00 0.00 178.15 177.50 2pnr h LYS 114 N 0.23 0.61 0.02 2.37 3.64 -0.83 -2.97 116.57 119.65 2pnr h LYS 114 Ca 0.13 -0.74 -0.21 0.00 -1.27 0.00 0.00 60.65 58.56 2pnr h LYS 114 Cb 0.21 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2pnr h LYS 114 CO -0.02 1.32 -0.94 -0.39 -2.27 0.00 0.00 179.45 177.15 2pnr h VAL 115 N 0.31 1.55 -0.47 2.00 -1.51 -0.90 -1.44 116.25 115.80 2pnr h VAL 115 Ca -0.15 -2.86 -0.02 0.00 -1.23 0.00 0.00 66.70 62.44 2pnr h VAL 115 Cb 1.80 2.61 -0.02 0.00 -2.13 0.00 0.00 31.29 33.55 2pnr h VAL 115 CO 0.22 0.83 0.22 -0.09 -1.23 0.00 0.00 177.57 177.51 2pnr h ARG 116 N 0.06 0.65 0.14 5.19 1.12 -1.07 -1.59 114.38 118.89 2pnr h ARG 116 Ca -0.04 -0.08 -0.30 0.00 -1.11 0.00 0.00 59.98 58.45 2pnr h ARG 116 Cb 1.61 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 31.44 2pnr h ARG 116 CO 0.14 0.51 -1.47 -0.91 -3.11 0.00 0.00 179.97 175.13 2pnr h ASN 117 N 0.65 0.46 -0.65 -3.80 2.35 -1.47 -3.18 115.58 109.93 2pnr h ASN 117 Ca 0.16 -0.58 0.05 0.00 -0.55 0.00 0.00 56.30 55.39 2pnr h ASN 117 Cb 0.08 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2pnr h ASN 117 CO -0.02 1.47 0.43 0.03 -1.65 0.00 0.00 177.43 177.69 2pnr h ARG 118 N 0.08 0.68 -0.66 0.81 3.08 -0.80 -2.95 114.38 114.61 2pnr h ARG 118 Ca -0.22 -0.04 -0.44 0.00 0.07 0.00 0.00 59.98 59.35 2pnr h ARG 118 Cb 2.03 -0.15 -0.27 0.00 0.08 0.00 0.00 29.97 31.65 2pnr h ARG 118 CO 0.18 0.45 -0.10 0.72 -1.07 0.00 0.00 179.97 180.15 2pnr n HIS 119 N -4.47 2.23 -2.08 3.04 8.25 -0.64 -5.01 115.22 116.54 2pnr n HIS 119 Ca 0.09 -2.17 -0.32 0.00 -0.26 0.00 0.00 57.72 55.06 2pnr n HIS 119 Cb 0.20 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.63 2pnr n HIS 119 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2pnr s ASN 120 N -2.72 5.96 0.00 0.41 2.20 -1.12 -4.98 114.94 114.69 2pnr s ASN 120 Ca 0.52 1.73 0.13 0.00 -0.94 0.00 0.00 52.86 54.30 2pnr s ASN 120 Cb 0.43 -2.52 0.32 0.00 -2.00 0.00 0.00 41.25 37.49 2pnr s ASN 120 CO 0.01 -1.05 1.24 0.47 -2.94 0.00 0.00 177.10 174.83 2pnr n ASP 121 N -2.05 2.94 0.03 3.54 10.43 -1.26 -4.30 116.55 125.88 2pnr n ASP 121 Ca 0.08 -1.91 -0.05 0.00 2.57 0.00 0.00 54.79 55.48 2pnr n ASP 121 Cb 0.53 -0.23 0.16 0.00 1.84 0.00 0.00 41.12 43.43 2pnr n ASP 121 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 2pnr h VAL 122 N 2.56 1.30 -3.70 2.53 2.07 -1.98 -3.35 116.25 115.68 2pnr h VAL 122 Ca 0.00 -1.51 -0.78 0.00 0.82 0.00 0.00 66.70 65.23 2pnr h VAL 122 Cb 0.74 1.57 -0.28 0.00 -1.52 0.00 0.00 31.29 31.80 2pnr h VAL 122 CO 0.00 0.47 0.14 -0.69 0.02 0.00 0.00 177.57 177.50 2pnr s VAL 123 N -4.25 5.45 -0.40 2.57 1.01 -1.26 -5.05 120.40 118.48 2pnr s VAL 123 Ca -0.06 -2.88 -0.27 0.00 0.00 0.00 0.00 61.98 58.77 2pnr s VAL 123 Cb 0.13 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 2pnr s VAL 123 CO 0.80 -1.06 2.30 -2.84 0.00 0.00 0.00 175.10 174.30 2pnr s PRO 124 N -0.36 2.51 -0.17 2.72 0.02 -1.26 -4.80 135.00 133.66 2pnr s PRO 124 Ca 0.22 1.59 -0.16 0.00 0.02 0.00 0.00 61.00 62.67 2pnr s PRO 124 Cb -0.11 -4.49 -0.06 0.00 0.02 0.00 0.00 34.50 29.86 2pnr s PRO 124 CO -0.08 -2.81 -0.32 2.41 -0.33 0.00 0.00 177.00 175.87 2pnr n THR 125 N 7.87 1.46 -0.18 0.99 -1.04 -1.26 -4.11 114.28 118.02 2pnr n THR 125 Ca 0.33 0.09 -0.01 0.00 -2.04 0.00 0.00 64.05 62.42 2pnr n THR 125 Cb 0.51 -2.22 0.07 0.00 -1.82 0.00 0.00 70.33 66.87 2pnr n THR 125 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 2pnr h MET 126 N -0.91 0.09 -0.09 -2.82 1.85 -1.87 0.03 114.93 111.22 2pnr h MET 126 Ca -0.10 -0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.02 2pnr h MET 126 Cb 1.01 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.98 2pnr h MET 126 CO -0.06 0.06 -0.13 0.00 -0.40 0.00 0.00 176.91 176.38 2pnr h ALA 127 N 1.50 -0.08 0.00 0.39 0.00 -1.96 -0.91 119.26 118.20 2pnr h ALA 127 Ca 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2pnr h ALA 127 Cb 0.43 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2pnr h ALA 127 CO -0.48 -0.60 -0.05 0.37 0.00 0.00 0.00 179.25 178.49 2pnr h GLN 128 N -0.18 0.00 0.00 0.00 5.75 -1.47 0.24 115.11 119.45 2pnr h GLN 128 Ca 0.08 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 2pnr h GLN 128 Cb 0.29 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2pnr h GLN 128 CO -0.19 0.05 -0.24 0.78 -2.65 0.00 0.00 178.83 176.57 2pnr h GLY 129 N 0.45 0.00 -0.17 2.39 0.00 0.41 -1.89 103.07 104.26 2pnr h GLY 129 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pnr h GLY 129 CO 0.01 0.00 0.00 -0.62 0.00 0.00 0.00 176.54 175.93 2pnr n VAL 130 N -3.67 0.01 -0.07 4.60 0.31 0.06 -3.61 118.33 115.97 2pnr n VAL 130 Ca -0.01 -0.20 -0.18 0.00 -0.01 0.00 0.00 64.34 63.93 2pnr n VAL 130 Cb 0.36 0.28 -0.13 0.00 -0.91 0.00 0.00 33.84 33.44 2pnr n VAL 130 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2pnr n ILE 131 N -0.07 1.61 0.22 2.52 5.41 -0.73 -3.88 119.36 124.45 2pnr n ILE 131 Ca 0.20 -0.64 0.18 0.00 1.00 0.00 0.00 62.75 63.49 2pnr n ILE 131 Cb 0.30 -1.47 0.84 0.00 -0.71 0.00 0.00 39.64 38.60 2pnr n ILE 131 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2pnr h GLU 132 N 0.03 0.00 0.00 0.38 5.08 -1.57 1.02 114.58 119.53 2pnr h GLU 132 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2pnr h GLU 132 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 2pnr h GLU 132 CO 0.00 0.00 0.00 0.98 -1.00 0.00 0.00 179.01 178.99 2pnr n TYR 133 N -3.49 0.00 0.39 4.33 -0.00 -1.25 -1.42 117.16 115.72 2pnr n TYR 133 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.03 2pnr n TYR 133 Cb 0.39 0.00 0.48 0.00 -0.00 0.00 0.00 39.34 40.21 2pnr n TYR 133 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 2pnr n LYS 134 N -0.64 0.17 -3.58 2.98 2.85 0.35 -4.29 118.16 116.01 2pnr n LYS 134 Ca 0.02 0.42 -0.36 0.00 -1.05 0.00 0.00 58.31 57.34 2pnr n LYS 134 Cb 0.01 -1.84 -0.07 0.00 -0.65 0.00 0.00 35.03 32.48 2pnr n LYS 134 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2pnr s GLU 135 N -3.30 4.22 2.89 -1.58 2.02 -0.51 -5.19 118.70 117.26 2pnr s GLU 135 Ca 0.04 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2pnr s GLU 135 Cb 0.09 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.90 2pnr s GLU 135 CO 0.36 0.26 0.00 1.63 0.02 0.00 0.00 175.26 177.54 2pnr n LYS 136 N 3.52 0.00 -3.12 1.61 5.02 -1.26 -5.03 118.16 118.89 2pnr n LYS 136 Ca -0.13 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.90 2pnr n LYS 136 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.48 2pnr n LYS 136 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2pnr n SER 144 N 3.28 3.91 -3.90 4.39 2.88 -1.26 -5.04 113.62 117.88 2pnr n SER 144 Ca 0.00 -3.54 -0.30 0.00 -1.33 0.00 0.00 58.87 53.70 2pnr n SER 144 Cb 0.00 -0.60 -0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2pnr n SER 144 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2pnr n THR 145 N 0.19 -3.80 1.10 2.46 -2.24 -1.26 -4.81 114.28 105.92 2pnr n THR 145 Ca 0.30 -0.66 0.12 0.00 -2.27 0.00 0.00 64.05 61.54 2pnr n THR 145 Cb 0.42 -3.06 0.15 0.00 -2.10 0.00 0.00 70.33 65.74 2pnr n THR 145 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pnr n ASN 146 N -2.79 1.97 0.09 3.42 0.23 -1.26 -3.68 115.26 113.24 2pnr n ASN 146 Ca -0.22 -1.49 -0.06 0.00 -0.53 0.00 0.00 54.58 52.29 2pnr n ASN 146 Cb 0.64 0.26 0.09 0.00 -2.08 0.00 0.00 39.78 38.69 2pnr n ASN 146 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2pnr h ILE 147 N 2.65 1.43 -0.39 1.53 5.03 -1.96 -3.15 117.51 122.65 2pnr h ILE 147 Ca 0.00 -2.21 0.02 0.00 -0.12 0.00 0.00 64.86 62.55 2pnr h ILE 147 Cb 0.73 2.17 -0.03 0.00 -3.03 0.00 0.00 36.82 36.66 2pnr h ILE 147 CO 0.00 0.65 0.21 -0.61 -0.68 0.00 0.00 178.15 177.72 2pnr h GLN 148 N 0.13 0.41 0.48 2.37 5.75 -1.95 -2.37 115.11 119.93 2pnr h GLN 148 Ca -0.02 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2pnr h GLN 148 Cb 1.23 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.68 2pnr h GLN 148 CO 0.10 0.27 -0.35 -0.92 -2.65 0.00 0.00 178.83 175.29 2pnr h TYR 149 N 0.43 -0.92 0.16 3.99 3.20 -1.79 -2.37 116.97 119.67 2pnr h TYR 149 Ca 0.16 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.04 2pnr h TYR 149 Cb 0.04 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2pnr h TYR 149 CO -0.09 -0.51 -0.40 0.35 -1.64 0.00 0.00 178.16 175.87 2pnr h PHE 150 N -0.80 -1.13 -1.00 -3.82 3.57 -1.55 -2.72 116.94 109.49 2pnr h PHE 150 Ca -0.05 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.57 2pnr h PHE 150 Cb 0.68 0.47 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 2pnr h PHE 150 CO -0.14 -0.51 0.64 -0.07 -2.23 0.00 0.00 178.31 175.99 2pnr h LEU 151 N -0.66 0.96 -1.56 0.59 3.38 -1.43 0.42 115.31 117.01 2pnr h LEU 151 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2pnr h LEU 151 Cb 0.68 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2pnr h LEU 151 CO -0.21 0.56 0.08 0.44 0.09 0.00 0.00 178.44 179.39 2pnr h ASP 152 N 1.06 0.33 0.17 -0.43 3.45 -1.16 0.25 116.42 120.08 2pnr h ASP 152 Ca 0.47 -0.03 -0.33 0.00 0.43 0.00 0.00 57.03 57.57 2pnr h ASP 152 Cb 0.36 -0.08 0.01 0.00 -0.56 0.00 0.00 39.33 39.06 2pnr h ASP 152 CO -0.22 0.33 -1.62 0.03 -1.57 0.00 0.00 179.24 176.18 2pnr h ARG 153 N 0.36 0.36 0.14 3.56 3.08 -0.85 -2.66 114.38 118.38 2pnr h ARG 153 Ca 0.09 -0.61 0.01 0.00 0.07 0.00 0.00 59.98 59.54 2pnr h ARG 153 Cb 0.13 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2pnr h ARG 153 CO -0.01 1.29 -0.49 0.35 -1.07 0.00 0.00 179.97 180.05 2pnr h PHE 154 N -0.02 -1.42 -0.81 3.04 3.57 0.09 -1.18 116.94 120.21 2pnr h PHE 154 Ca -0.32 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.18 2pnr h PHE 154 Cb 2.00 0.60 -0.04 0.00 2.79 0.00 0.00 35.95 41.30 2pnr h PHE 154 CO 0.11 -0.56 0.37 1.88 -2.23 0.00 0.00 178.31 177.88 2pnr h TYR 155 N -0.72 1.19 -0.83 0.41 0.05 -0.66 -2.69 116.97 113.72 2pnr h TYR 155 Ca -0.01 -0.07 0.07 0.00 0.05 0.00 0.00 58.73 58.77 2pnr h TYR 155 Cb 0.71 -0.36 -0.06 0.00 1.01 0.00 0.00 36.73 38.03 2pnr h TYR 155 CO -0.43 0.87 0.50 1.15 -1.05 0.00 0.00 178.16 179.20 2pnr h THR 156 N 1.16 1.00 -0.72 -2.88 2.02 -1.07 -1.31 112.91 111.11 2pnr h THR 156 Ca 0.28 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 2pnr h THR 156 Cb 0.15 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 2pnr h THR 156 CO -0.03 0.16 0.33 -1.13 0.37 0.00 0.00 175.52 175.22 2pnr h ASN 157 N 0.89 0.96 0.84 4.18 -1.24 -0.90 -2.09 115.58 118.21 2pnr h ASN 157 Ca 0.37 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.22 2pnr h ASN 157 Cb 0.22 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 2pnr h ASN 157 CO -0.19 0.84 -0.09 0.03 -1.29 0.00 0.00 177.43 176.73 2pnr h ARG 158 N 1.01 0.00 -0.53 6.67 3.08 -1.10 0.14 114.38 123.65 2pnr h ARG 158 Ca 0.25 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 2pnr h ARG 158 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2pnr h ARG 158 CO -0.03 0.09 -0.12 0.82 -1.07 0.00 0.00 179.97 179.65 2pnr h ILE 159 N 0.00 1.27 -0.23 2.04 2.04 -0.65 -2.66 117.51 119.32 2pnr h ILE 159 Ca -0.00 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 2pnr h ILE 159 Cb 0.53 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2pnr h ILE 159 CO 0.01 0.45 -0.20 0.77 0.00 0.00 0.00 178.15 179.19 2pnr h SER 160 N 0.88 0.57 -0.43 1.72 4.64 -0.66 -1.53 113.55 118.74 2pnr h SER 160 Ca 0.13 -0.46 0.05 0.00 -0.47 0.00 0.00 61.79 61.05 2pnr h SER 160 Cb 0.69 -0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 62.54 2pnr h SER 160 CO 0.05 0.91 -0.55 -0.26 -0.87 0.00 0.00 176.83 176.11 2pnr h PHE 161 N 0.24 -1.70 -0.75 4.77 0.05 -0.74 0.13 116.94 118.94 2pnr h PHE 161 Ca 0.04 0.08 0.07 0.00 3.82 0.00 0.00 57.97 61.99 2pnr h PHE 161 Cb 0.74 0.80 -0.06 0.00 2.00 0.00 0.00 35.95 39.42 2pnr h PHE 161 CO 0.07 -0.49 0.43 0.00 -0.18 0.00 0.00 178.31 178.15 2pnr h ARG 162 N -0.38 0.75 -0.16 1.51 3.08 -1.47 0.00 114.38 117.71 2pnr h ARG 162 Ca 0.08 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.12 2pnr h ARG 162 Cb 0.59 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2pnr h ARG 162 CO -0.61 0.49 -0.09 1.98 -1.07 0.00 0.00 179.97 180.67 2pnr h MET 163 N 0.77 -0.08 -0.51 0.04 4.05 0.13 0.28 114.93 119.62 2pnr h MET 163 Ca 0.35 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.73 2pnr h MET 163 Cb 0.24 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 2pnr h MET 163 CO -0.20 -0.05 0.15 -0.07 0.23 0.00 0.00 176.91 176.96 2pnr h LEU 164 N -0.08 0.75 -0.26 3.39 3.38 -0.32 -2.57 115.31 119.59 2pnr h LEU 164 Ca 0.09 -0.21 -0.21 0.00 0.09 0.00 0.00 57.88 57.64 2pnr h LEU 164 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2pnr h LEU 164 CO -0.21 0.76 -0.87 0.40 0.09 0.00 0.00 178.44 178.61 2pnr h ILE 165 N 0.69 1.43 -0.51 1.22 2.04 -0.76 -2.94 117.51 118.69 2pnr h ILE 165 Ca 0.16 -2.44 -0.09 0.00 1.00 0.00 0.00 64.86 63.48 2pnr h ILE 165 Cb 0.29 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 2pnr h ILE 165 CO -0.00 0.72 -0.05 0.78 0.00 0.00 0.00 178.15 179.60 2pnr h ASN 166 N 0.19 0.92 -0.33 1.72 2.35 -0.45 -2.02 115.58 117.97 2pnr h ASN 166 Ca -0.06 -0.33 0.06 0.00 -0.55 0.00 0.00 56.30 55.43 2pnr h ASN 166 Cb 1.49 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 39.55 2pnr h ASN 166 CO 0.14 1.03 -0.05 1.56 -1.65 0.00 0.00 177.43 178.46 2pnr h GLN 167 N 0.79 0.03 0.33 0.81 1.08 -1.43 0.23 115.11 116.95 2pnr h GLN 167 Ca 0.14 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2pnr h GLN 167 Cb 0.59 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2pnr h GLN 167 CO 0.04 0.02 -0.16 1.25 -0.95 0.00 0.00 178.83 179.03 2pnr h HIS 168 N 0.03 -0.41 -0.50 2.96 2.76 -1.36 -1.37 115.15 117.26 2pnr h HIS 168 Ca 0.16 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2pnr h HIS 168 Cb 0.23 0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 2pnr h HIS 168 CO -0.28 -0.18 0.18 1.79 -1.30 0.00 0.00 177.93 178.14 2pnr h THR 169 N -0.56 1.19 -0.35 6.26 1.35 -1.19 0.47 112.91 120.09 2pnr h THR 169 Ca -0.05 -0.63 -0.13 0.00 -0.55 0.00 0.00 66.41 65.05 2pnr h THR 169 Cb 0.41 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 2pnr h THR 169 CO 0.07 0.24 -0.32 -0.07 -0.25 0.00 0.00 175.52 175.20 2pnr h LEU 170 N 0.72 0.79 0.16 3.87 3.38 -0.41 0.28 115.31 124.11 2pnr h LEU 170 Ca 0.17 -0.33 -0.22 0.00 0.09 0.00 0.00 57.88 57.60 2pnr h LEU 170 Cb 0.18 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.73 2pnr h LEU 170 CO -0.01 1.05 -0.97 -0.07 0.09 0.00 0.00 178.44 178.52 2pnr h LEU 171 N 0.64 0.53 -2.92 1.67 3.38 -0.82 -3.39 115.31 114.41 2pnr h LEU 171 Ca 0.07 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2pnr h LEU 171 Cb 0.85 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2pnr h LEU 171 CO 0.07 1.47 0.00 0.49 0.09 0.00 0.00 178.44 180.56 2pnr n PHE 172 N -4.04 0.53 0.26 1.13 3.72 0.16 -4.62 117.46 114.60 2pnr n PHE 172 Ca -0.15 -0.53 0.15 0.00 -0.05 0.00 0.00 57.45 56.87 2pnr n PHE 172 Cb 0.88 -0.05 0.65 0.00 -0.94 0.00 0.00 39.48 40.02 2pnr n PHE 172 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2pnr h GLY 173 N 2.08 0.00 0.00 1.37 0.00 -0.54 -3.47 103.07 102.51 2pnr h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pnr h GLY 173 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 2pnr n GLY 174 N -0.06 0.52 3.59 4.60 0.00 -1.26 -4.97 105.19 107.61 2pnr n GLY 174 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 2pnr n GLY 174 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnr s ASP 175 N -2.38 6.17 0.00 1.61 2.15 -1.26 -4.84 116.67 118.12 2pnr s ASP 175 Ca 0.00 0.62 0.13 0.00 0.43 0.00 0.00 52.55 53.73 2pnr s ASP 175 Cb 0.00 -2.54 0.75 0.00 -0.30 0.00 0.00 42.92 40.83 2pnr s ASP 175 CO 0.00 -1.61 1.38 0.35 -0.17 0.00 0.00 175.17 175.13 2pnr n THR 176 N 7.03 0.00 -3.18 1.71 -2.24 -1.26 -3.97 114.28 112.36 2pnr n THR 176 Ca 0.16 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.75 2pnr n THR 176 Cb 0.49 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2pnr n THR 176 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2pnr n ASN 177 N -0.72 0.98 -4.61 3.42 3.02 -1.26 -5.12 115.26 110.97 2pnr n ASN 177 Ca 0.09 -3.04 -0.41 0.00 -0.03 0.00 0.00 54.58 51.20 2pnr n ASN 177 Cb 0.04 -0.62 0.02 0.00 -0.61 0.00 0.00 39.78 38.61 2pnr n ASN 177 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2pnr n PRO 178 N 0.27 1.28 -0.16 3.52 -0.02 -1.26 -4.88 135.00 133.75 2pnr n PRO 178 Ca 0.25 0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 2pnr n PRO 178 Cb 0.65 -2.06 0.11 0.00 -0.02 0.00 0.00 33.50 32.18 2pnr n PRO 178 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pnr h VAL 179 N 1.36 1.25 -3.39 -1.45 2.07 -1.99 -3.37 116.25 110.74 2pnr h VAL 179 Ca -0.45 -1.05 -0.62 0.00 0.82 0.00 0.00 66.70 65.40 2pnr h VAL 179 Cb 1.34 0.81 -0.40 0.00 -1.52 0.00 0.00 31.29 31.52 2pnr h VAL 179 CO 0.56 0.38 -0.73 -1.00 0.02 0.00 0.00 177.57 176.79 2pnr s HIS 180 N -5.03 2.75 0.28 1.57 3.76 -1.26 -5.00 115.29 112.35 2pnr s HIS 180 Ca -0.10 -2.46 0.03 0.00 -0.15 0.00 0.00 55.06 52.37 2pnr s HIS 180 Cb 0.14 -2.34 0.39 0.00 1.11 0.00 0.00 32.58 31.88 2pnr s HIS 180 CO 0.83 -0.89 1.70 -1.35 -0.85 0.00 0.00 174.74 174.18 2pnr h PRO 181 N 7.65 0.44 -0.04 8.40 0.11 -1.98 -2.91 132.00 143.67 2pnr h PRO 181 Ca -0.08 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2pnr h PRO 181 Cb 1.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2pnr h PRO 181 CO 0.51 0.70 0.00 1.63 -0.21 0.00 0.00 178.00 180.63 2pnr n LYS 182 N -4.09 1.26 -2.38 1.05 4.01 -1.26 -4.79 118.16 111.96 2pnr n LYS 182 Ca -0.01 -0.38 -0.32 0.00 -0.51 0.00 0.00 58.31 57.09 2pnr n LYS 182 Cb 0.44 -1.39 -0.03 0.00 -0.51 0.00 0.00 35.03 33.53 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 -1.95 3.45 -0.49 2.13 3.76 -1.10 -4.63 115.29 116.46 2pnr s HIS 183 Ca 0.35 1.46 -0.05 0.00 -0.15 0.00 0.00 55.06 56.68 2pnr s HIS 183 Cb 0.17 -2.79 0.13 0.00 1.11 0.00 0.00 32.58 31.20 2pnr s HIS 183 CO 0.28 -0.39 0.31 0.42 -0.85 0.00 0.00 174.74 174.51 2pnr s ILE 184 N -2.64 3.68 0.00 0.60 -1.09 0.15 -4.97 121.20 116.93 2pnr s ILE 184 Ca 0.59 -2.21 0.00 0.00 -2.23 0.00 0.00 60.65 56.80 2pnr s ILE 184 Cb -0.10 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2pnr s ILE 184 CO 0.32 -0.77 0.00 0.61 -1.23 0.00 0.00 174.94 173.87 2pnr n GLY 185 N 4.40 2.90 0.96 6.18 0.00 -1.26 -1.85 105.19 116.52 2pnr n GLY 185 Ca -0.01 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 6.27 2.84 -4.70 1.61 3.41 -1.26 -4.89 113.62 116.90 2pnr n SER 186 Ca 0.00 -1.92 -0.36 0.00 -0.26 0.00 0.00 58.87 56.33 2pnr n SER 186 Cb 0.00 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 2pnr n SER 186 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pnr s ILE 187 N -1.50 5.32 -0.46 -1.33 1.01 -0.77 -4.09 121.20 119.37 2pnr s ILE 187 Ca 0.37 0.40 -0.16 0.00 0.00 0.00 0.00 60.65 61.25 2pnr s ILE 187 Cb 0.20 -3.58 0.05 0.00 0.01 0.00 0.00 42.46 39.15 2pnr s ILE 187 CO 0.28 0.36 0.43 -0.62 0.00 0.00 0.00 174.94 175.40 2pnr s ASP 188 N 0.72 6.16 0.00 3.58 -1.08 0.45 -0.68 116.67 125.83 2pnr s ASP 188 Ca 0.13 -1.08 0.16 0.00 -0.52 0.00 0.00 52.55 51.23 2pnr s ASP 188 Cb -0.13 -2.21 0.86 0.00 -1.46 0.00 0.00 42.92 39.98 2pnr s ASP 188 CO 0.03 -0.65 1.41 -0.81 0.52 0.00 0.00 175.17 175.67 2pnr n PRO 189 N 5.44 0.35 -3.03 4.34 -0.04 -1.26 -2.19 135.00 138.60 2pnr n PRO 189 Ca -0.10 0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 2pnr n PRO 189 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2pnr n PRO 189 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2pnr n THR 190 N -1.16 -0.18 -2.21 0.52 -2.24 -1.26 -4.37 114.28 103.38 2pnr n THR 190 Ca 0.09 -3.45 -0.41 0.00 -2.27 0.00 0.00 64.05 58.01 2pnr n THR 190 Cb 0.09 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 2pnr n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnr s ASN 192 N 5.61 6.50 0.30 0.00 -0.87 -1.26 -2.09 114.94 123.13 2pnr s ASN 192 Ca 0.64 -1.53 0.05 0.00 -1.57 0.00 0.00 52.86 50.45 2pnr s ASN 192 Cb -0.14 -2.52 0.77 0.00 -0.02 0.00 0.00 41.25 39.34 2pnr s ASN 192 CO 0.27 -1.41 1.70 0.58 -2.57 0.00 0.00 177.10 175.67 2pnr h VAL 193 N 6.46 0.47 -0.58 1.60 2.07 -1.89 -0.47 116.25 123.91 2pnr h VAL 193 Ca 0.14 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2pnr h VAL 193 Cb 1.02 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2pnr h VAL 193 CO 1.32 0.08 0.17 0.00 0.02 0.00 0.00 177.57 179.17 2pnr h ALA 194 N 1.72 0.71 -0.81 1.67 0.00 -1.89 0.31 119.26 120.98 2pnr h ALA 194 Ca 0.58 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.55 2pnr h ALA 194 Cb 1.12 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2pnr h ALA 194 CO -0.53 -0.25 0.36 -0.44 0.00 0.00 0.00 179.25 178.40 2pnr h ASP 195 N 0.33 1.08 0.46 0.00 3.32 -1.47 -1.02 116.42 119.12 2pnr h ASP 195 Ca 0.29 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2pnr h ASP 195 Cb 0.39 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pnr h ASP 195 CO -0.33 0.93 -0.10 0.58 -1.72 0.00 0.00 179.24 178.59 2pnr h VAL 196 N 1.15 0.44 0.15 -1.35 2.07 -0.94 -1.63 116.25 116.14 2pnr h VAL 196 Ca 0.27 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2pnr h VAL 196 Cb 0.16 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2pnr h VAL 196 CO -0.03 0.10 -0.07 0.58 0.02 0.00 0.00 177.57 178.17 2pnr h VAL 197 N 0.00 0.94 -0.75 2.57 2.07 0.24 -1.82 116.25 119.49 2pnr h VAL 197 Ca -0.00 -1.12 0.11 0.00 0.82 0.00 0.00 66.70 66.51 2pnr h VAL 197 Cb 0.36 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2pnr h VAL 197 CO 0.01 0.23 0.37 0.11 0.02 0.00 0.00 177.57 178.32 2pnr h LYS 198 N -0.80 0.58 0.41 1.57 1.57 -1.00 0.14 116.57 119.04 2pnr h LYS 198 Ca -0.02 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2pnr h LYS 198 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2pnr h LYS 198 CO 0.03 0.39 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.66 2pnr h ASP 199 N 0.60 -0.47 -0.73 0.86 3.32 -1.35 0.93 116.42 119.58 2pnr h ASP 199 Ca 0.38 -0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.53 2pnr h ASP 199 Cb 0.45 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.05 2pnr h ASP 199 CO -0.30 -0.31 0.35 0.00 -1.72 0.00 0.00 179.24 177.26 2pnr h ALA 200 N -0.00 1.01 -0.02 3.45 0.00 -0.65 -1.79 119.26 121.25 2pnr h ALA 200 Ca -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2pnr h ALA 200 Cb 0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pnr h ALA 200 CO 0.09 -0.07 -0.02 -0.92 0.00 0.00 0.00 179.25 178.33 2pnr h TYR 201 N 0.59 0.07 -0.69 0.00 3.20 -0.47 -2.55 116.97 117.11 2pnr h TYR 201 Ca 0.37 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.33 2pnr h TYR 201 Cb 0.42 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2pnr h TYR 201 CO -0.11 0.54 0.46 0.93 -1.64 0.00 0.00 178.16 178.33 2pnr h GLU 202 N -0.42 0.48 0.02 1.82 4.39 0.12 0.32 114.58 121.30 2pnr h GLU 202 Ca 0.00 -0.03 -0.21 0.00 0.34 0.00 0.00 59.36 59.47 2pnr h GLU 202 Cb 0.53 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2pnr h GLU 202 CO 0.01 0.32 -0.93 1.79 -1.16 0.00 0.00 179.01 179.03 2pnr h THR 203 N 0.49 1.53 0.07 1.13 1.35 -1.31 -2.64 112.91 113.54 2pnr h THR 203 Ca 0.32 -2.78 -0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2pnr h THR 203 Cb 0.59 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2pnr h THR 203 CO -0.10 0.81 -0.03 0.00 -0.25 0.00 0.00 175.52 175.94 2pnr h ALA 204 N 0.94 -0.10 -0.98 6.62 0.00 -0.78 -1.55 119.26 123.41 2pnr h ALA 204 Ca -0.05 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.87 2pnr h ALA 204 Cb 1.59 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 2pnr h ALA 204 CO 0.14 -0.39 0.61 -0.22 0.00 0.00 0.00 179.25 179.39 2pnr h LYS 205 N -0.42 0.71 -0.36 0.00 3.64 -0.46 0.12 116.57 119.79 2pnr h LYS 205 Ca -0.01 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2pnr h LYS 205 Cb 0.37 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2pnr h LYS 205 CO 0.02 0.47 -0.02 1.98 -2.27 0.00 0.00 179.45 179.62 2pnr h MET 206 N 0.73 0.66 0.00 1.90 4.05 -1.23 -0.22 114.93 120.82 2pnr h MET 206 Ca 0.54 -0.22 -0.04 0.00 -0.28 0.00 0.00 59.70 59.70 2pnr h MET 206 Cb 0.88 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.62 2pnr h MET 206 CO -0.31 0.78 -0.18 -0.07 0.23 0.00 0.00 176.91 177.35 2pnr h LEU 207 N 0.46 0.00 0.00 3.39 3.38 -0.03 -3.18 115.31 119.33 2pnr h LEU 207 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2pnr h LEU 207 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2pnr h LEU 207 CO 0.02 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.74 2pnr n GLU 209 N -1.71 0.00 0.13 0.00 4.07 -0.15 0.15 120.64 123.13 2pnr n GLU 209 Ca 0.00 0.52 0.13 0.00 -0.06 0.00 0.00 57.16 57.74 2pnr n GLU 209 Cb 0.00 -1.23 0.47 0.00 -0.06 0.00 0.00 31.44 30.62 2pnr n GLU 209 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 2pnr h GLN 210 N 0.00 0.00 0.00 5.31 4.15 -1.65 0.24 115.11 123.17 2pnr h GLN 210 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 2pnr h GLN 210 Cb 1.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.37 2pnr h GLN 210 CO -0.00 0.00 0.00 0.66 -1.93 0.00 0.00 178.83 177.56 2pnr n TYR 211 N -2.33 0.00 -0.14 3.99 4.02 0.39 -4.85 117.16 118.24 2pnr n TYR 211 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2pnr n TYR 211 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 2pnr n TYR 211 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pnr n TYR 212 N -0.11 0.00 -4.09 -0.72 4.01 -0.88 -5.05 117.16 110.32 2pnr n TYR 212 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 2pnr n TYR 212 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.24 -2.07 0.00 7.72 4.77 0.07 -4.82 117.00 122.44 2pnr n LEU 213 Ca 0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2pnr n LEU 213 Cb 0.04 -2.28 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 2pnr n LEU 213 CO 0.00 0.37 0.00 0.52 -1.33 0.00 0.00 177.39 176.95 2pnr n VAL 214 N -4.51 0.00 -4.21 4.08 0.31 -1.26 -4.99 118.33 107.76 2pnr n VAL 214 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.15 2pnr n VAL 214 Cb 0.51 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 2pnr n VAL 214 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pnr s ALA 215 N 0.00 3.34 0.47 3.52 0.00 -1.26 -4.82 121.76 123.01 2pnr s ALA 215 Ca 0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 51.96 49.90 2pnr s ALA 215 Cb 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 23.12 22.39 2pnr s ALA 215 CO 0.00 0.10 1.28 -2.30 0.00 0.00 0.00 175.76 174.84 2pnr n PRO 216 N -1.04 1.81 -1.39 0.00 -0.02 -1.26 -4.97 135.00 128.13 2pnr n PRO 216 Ca -0.04 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 2pnr n PRO 216 Cb 0.61 -2.44 0.13 0.00 -0.02 0.00 0.00 33.50 31.79 2pnr n PRO 216 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2pnr s GLU 217 N -2.44 1.22 -0.15 -0.52 2.02 -1.26 -4.70 118.70 112.86 2pnr s GLU 217 Ca 0.65 0.53 -0.02 0.00 0.02 0.00 0.00 54.97 56.15 2pnr s GLU 217 Cb -0.47 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.91 2pnr s GLU 217 CO 0.55 -2.19 -0.09 -1.17 0.02 0.00 0.00 175.26 172.38 2pnr s LEU 218 N -6.11 2.93 -0.15 1.80 2.96 -1.26 -0.11 118.68 118.74 2pnr s LEU 218 Ca 0.63 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 2pnr s LEU 218 Cb -0.16 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.84 2pnr s LEU 218 CO 0.55 0.15 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.95 2pnr s GLU 219 N 0.45 3.17 0.05 1.98 2.02 -0.52 -4.95 118.70 120.90 2pnr s GLU 219 Ca -0.07 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.20 2pnr s GLU 219 Cb -0.15 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2pnr s GLU 219 CO 0.04 0.02 -0.15 0.08 0.02 0.00 0.00 175.26 175.26 2pnr s VAL 220 N 0.79 1.23 -0.14 2.63 1.01 -1.26 -0.36 120.40 124.30 2pnr s VAL 220 Ca -0.06 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.73 2pnr s VAL 220 Cb -0.15 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.15 2pnr s VAL 220 CO -0.00 0.01 0.35 -1.61 0.00 0.00 0.00 175.10 173.85 2pnr s GLU 221 N -1.24 0.37 0.37 2.72 0.41 -0.79 -4.99 118.70 115.55 2pnr s GLU 221 Ca 0.02 0.57 0.08 0.00 -0.41 0.00 0.00 54.97 55.24 2pnr s GLU 221 Cb -0.08 0.09 -0.04 0.00 -1.78 0.00 0.00 34.13 32.31 2pnr s GLU 221 CO 0.02 -0.10 0.21 -1.21 -0.49 0.00 0.00 175.26 173.69 2pnr s GLU 222 N 0.69 2.39 -0.29 1.61 2.02 -1.26 -0.62 118.70 123.25 2pnr s GLU 222 Ca -0.04 -1.60 0.02 0.00 0.02 0.00 0.00 54.97 53.37 2pnr s GLU 222 Cb -0.05 -2.19 0.18 0.00 0.10 0.00 0.00 34.13 32.17 2pnr s GLU 222 CO -0.05 -0.01 0.52 0.12 0.02 0.00 0.00 175.26 175.86 2pnr s PHE 223 N -2.47 -1.46 -0.92 1.61 2.19 -0.28 -4.89 117.98 111.76 2pnr s PHE 223 Ca 0.41 0.98 -0.20 0.00 0.33 0.00 0.00 56.93 58.45 2pnr s PHE 223 Cb -0.01 0.21 0.11 0.00 -1.31 0.00 0.00 43.02 42.01 2pnr s PHE 223 CO 0.24 -0.98 1.18 1.21 1.83 0.00 0.00 175.22 178.71 2pnr s ASN 224 N 2.73 6.56 0.44 6.13 3.84 -1.26 -2.58 114.94 130.80 2pnr s ASN 224 Ca 0.12 -1.82 0.19 0.00 0.21 0.00 0.00 52.86 51.56 2pnr s ASN 224 Cb -0.12 -2.44 1.13 0.00 -0.55 0.00 0.00 41.25 39.27 2pnr s ASN 224 CO -0.25 -1.19 1.88 0.00 -2.79 0.00 0.00 177.10 174.75 2pnr h ALA 225 N 9.10 2.26 0.00 1.71 0.00 -1.60 0.45 119.26 131.18 2pnr h ALA 225 Ca 0.13 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2pnr h ALA 225 Cb 1.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2pnr h ALA 225 CO 1.18 -0.52 0.00 -0.22 0.00 0.00 0.00 179.25 179.69 2pnr h LYS 226 N 0.35 0.00 0.00 0.00 3.64 -1.86 -3.40 116.57 115.29 2pnr h LYS 226 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2pnr h LYS 226 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2pnr h LYS 226 CO -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.04 2pnr n ALA 227 N -1.82 0.00 0.12 5.00 0.00 -0.26 -5.05 120.51 118.50 2pnr n ALA 227 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.49 2pnr n ALA 227 Cb 0.30 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.78 2pnr n ALA 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2pnr n PRO 228 N 0.00 0.01 -0.03 0.00 -0.04 0.14 -0.94 135.00 134.15 2pnr n PRO 228 Ca 0.00 0.50 -0.06 0.00 -0.04 0.00 0.00 63.50 63.90 2pnr n PRO 228 Cb 0.00 -1.33 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 2pnr n PRO 228 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2pnr h ASP 229 N 0.00 -0.05 -3.51 3.54 3.32 -1.97 -3.42 116.42 114.33 2pnr h ASP 229 Ca 0.04 -0.33 -0.57 0.00 0.02 0.00 0.00 57.03 56.19 2pnr h ASP 229 Cb 1.12 0.01 0.13 0.00 0.22 0.00 0.00 39.33 40.82 2pnr h ASP 229 CO -0.00 0.60 0.39 0.29 -1.72 0.00 0.00 179.24 178.80 2pnr n LYS 230 N -4.77 1.64 -2.72 3.56 5.02 -0.11 -4.98 118.16 115.80 2pnr n LYS 230 Ca -0.04 0.59 -0.37 0.00 -2.02 0.00 0.00 58.31 56.47 2pnr n LYS 230 Cb 0.18 -2.31 -0.06 0.00 -0.02 0.00 0.00 35.03 32.83 2pnr n LYS 230 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2pnr s PRO 231 N -2.34 4.45 -0.05 1.97 0.04 -1.26 -4.66 135.00 133.16 2pnr s PRO 231 Ca 0.65 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2pnr s PRO 231 Cb -0.49 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2pnr s PRO 231 CO 0.55 0.15 1.38 0.42 0.04 0.00 0.00 177.00 179.54 2pnr s ILE 232 N -1.66 3.89 0.29 0.56 1.01 -1.26 -5.01 121.20 119.03 2pnr s ILE 232 Ca 0.53 1.20 0.05 0.00 0.00 0.00 0.00 60.65 62.43 2pnr s ILE 232 Cb -0.19 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 2pnr s ILE 232 CO 0.24 -0.04 -0.01 -1.10 0.00 0.00 0.00 174.94 174.03 2pnr s GLN 233 N 2.85 1.57 -0.18 2.79 -0.21 -1.26 -2.95 119.66 122.26 2pnr s GLN 233 Ca 0.62 -1.82 -0.32 0.00 0.02 0.00 0.00 55.36 53.86 2pnr s GLN 233 Cb -0.29 -1.00 0.14 0.00 1.00 0.00 0.00 33.01 32.87 2pnr s GLN 233 CO 0.24 -0.06 1.15 0.54 -2.12 0.00 0.00 175.29 175.04 2pnr s VAL 234 N -3.16 0.00 -0.59 1.09 0.11 -0.89 -4.90 120.40 112.07 2pnr s VAL 234 Ca 0.32 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.09 2pnr s VAL 234 Cb 0.06 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2pnr s VAL 234 CO 0.13 0.00 1.22 -0.69 -3.33 0.00 0.00 175.10 172.43 2pnr s VAL 235 N -1.90 3.98 0.25 2.04 1.01 -1.26 -1.19 120.40 123.33 2pnr s VAL 235 Ca 0.06 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 62.79 2pnr s VAL 235 Cb -0.01 -4.71 -0.01 0.00 0.00 0.00 0.00 36.38 31.66 2pnr s VAL 235 CO -0.04 -1.35 0.45 -0.47 0.00 0.00 0.00 175.10 173.68 2pnr s TYR 236 N 5.11 0.49 -0.82 5.22 5.04 -0.93 -4.79 117.35 126.67 2pnr s TYR 236 Ca 0.44 -0.84 -0.18 0.00 -2.44 0.00 0.00 57.07 54.05 2pnr s TYR 236 Cb -0.08 0.11 0.14 0.00 0.35 0.00 0.00 41.96 42.48 2pnr s TYR 236 CO 0.25 -0.98 0.95 0.08 -1.34 0.00 0.00 175.55 174.51 2pnr s VAL 237 N -3.92 4.91 0.25 3.14 1.01 -1.26 -0.42 120.40 124.11 2pnr s VAL 237 Ca 0.25 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 2pnr s VAL 237 Cb 0.00 -4.65 0.35 0.00 0.00 0.00 0.00 36.38 32.09 2pnr s VAL 237 CO 0.10 -1.32 1.58 -0.65 0.00 0.00 0.00 175.10 174.81 2pnr h PRO 238 N 8.73 -0.01 -0.97 2.72 0.11 -1.92 -0.75 132.00 139.90 2pnr h PRO 238 Ca 0.02 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.24 2pnr h PRO 238 Cb 1.04 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.07 2pnr h PRO 238 CO 1.03 -0.01 0.61 0.66 -0.21 0.00 0.00 178.00 180.08 2pnr h SER 239 N -0.01 0.89 -0.14 -2.05 4.64 -1.92 -0.28 113.55 114.67 2pnr h SER 239 Ca 0.40 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2pnr h SER 239 Cb 0.62 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2pnr h SER 239 CO -0.89 0.48 0.09 0.45 -0.87 0.00 0.00 176.83 176.09 2pnr h HIS 240 N 0.97 0.18 -0.22 4.77 3.86 -1.52 -2.16 115.15 121.02 2pnr h HIS 240 Ca 0.48 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.67 2pnr h HIS 240 Cb 0.46 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2pnr h HIS 240 CO -0.01 0.13 0.05 1.25 0.86 0.00 0.00 177.93 180.21 2pnr h LEU 241 N 0.18 0.28 -0.32 2.43 5.85 -1.19 -2.64 115.31 119.89 2pnr h LEU 241 Ca 0.05 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2pnr h LEU 241 Cb -0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2pnr h LEU 241 CO -0.01 0.29 0.02 0.15 -0.34 0.00 0.00 178.44 178.55 2pnr h PHE 242 N 0.31 0.60 -0.97 1.25 3.57 -0.58 -1.57 116.94 119.53 2pnr h PHE 242 Ca 0.08 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2pnr h PHE 242 Cb 0.13 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 2pnr h PHE 242 CO 0.00 0.66 0.62 0.45 -2.23 0.00 0.00 178.31 177.81 2pnr h HIS 243 N 0.36 1.24 -0.20 0.41 3.86 -1.05 0.44 115.15 120.21 2pnr h HIS 243 Ca 0.09 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2pnr h HIS 243 Cb 0.40 -0.42 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2pnr h HIS 243 CO 0.03 0.80 -0.03 0.52 0.86 0.00 0.00 177.93 180.11 2pnr h MET 244 N 1.32 0.38 -0.09 2.45 2.86 -1.34 -2.51 114.93 118.01 2pnr h MET 244 Ca 0.35 -0.14 -0.17 0.00 -2.06 0.00 0.00 59.70 57.69 2pnr h MET 244 Cb -0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2pnr h MET 244 CO -0.07 0.61 -0.66 -0.07 1.06 0.00 0.00 176.91 177.78 2pnr h LEU 245 N 0.12 0.44 0.62 1.22 3.38 -0.96 -2.49 115.31 117.63 2pnr h LEU 245 Ca 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2pnr h LEU 245 Cb 0.46 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2pnr h LEU 245 CO 0.02 0.98 -0.40 0.15 0.09 0.00 0.00 178.44 179.27 2pnr h PHE 246 N 0.27 -1.07 -0.66 1.13 3.57 -0.12 0.75 116.94 120.82 2pnr h PHE 246 Ca -0.02 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.61 2pnr h PHE 246 Cb 1.21 0.38 -0.12 0.00 2.79 0.00 0.00 35.95 40.22 2pnr h PHE 246 CO 0.04 -0.60 -0.04 1.49 -2.23 0.00 0.00 178.31 176.96 2pnr h GLU 247 N -0.97 0.08 0.38 1.11 4.57 -1.46 0.45 114.58 118.74 2pnr h GLU 247 Ca -0.08 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2pnr h GLU 247 Cb 0.79 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2pnr h GLU 247 CO 0.06 0.05 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.69 2pnr h LEU 248 N 0.08 -0.43 -1.10 1.64 3.38 -1.28 -1.74 115.31 115.85 2pnr h LEU 248 Ca 0.34 -0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.40 2pnr h LEU 248 Cb 0.56 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.31 2pnr h LEU 248 CO -0.60 -0.05 0.62 -0.26 0.09 0.00 0.00 178.44 178.24 2pnr h PHE 249 N -0.88 0.94 0.68 1.13 0.04 -0.41 0.40 116.94 118.85 2pnr h PHE 249 Ca -0.05 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 2pnr h PHE 249 Cb 0.54 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2pnr h PHE 249 CO 0.02 0.13 -0.49 -0.22 -0.60 0.00 0.00 178.31 177.15 2pnr h LYS 250 N 0.60 -1.08 -0.86 1.51 3.64 0.02 -2.21 116.57 118.20 2pnr h LYS 250 Ca 0.60 0.07 0.05 0.00 -1.27 0.00 0.00 60.65 60.11 2pnr h LYS 250 Cb 1.16 0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 33.17 2pnr h LYS 250 CO -0.39 -0.72 0.56 -0.91 -2.27 0.00 0.00 179.45 175.72 2pnr h ASN 251 N -1.12 0.89 -0.27 4.20 -0.26 0.34 -1.76 115.58 117.61 2pnr h ASN 251 Ca -0.09 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.57 2pnr h ASN 251 Cb 0.92 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.97 2pnr h ASN 251 CO 0.04 0.59 -0.07 0.28 -1.06 0.00 0.00 177.43 177.21 2pnr h SER 252 N 1.02 0.63 -0.01 5.81 0.02 -0.27 -2.43 113.55 118.33 2pnr h SER 252 Ca 0.36 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2pnr h SER 252 Cb 0.11 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2pnr h SER 252 CO -0.12 0.75 -0.12 0.24 -1.14 0.00 0.00 176.83 176.45 2pnr h MET 253 N 0.61 0.09 -0.50 3.45 2.86 -0.87 -2.16 114.93 118.40 2pnr h MET 253 Ca 0.11 -0.09 0.10 0.00 -2.06 0.00 0.00 59.70 57.77 2pnr h MET 253 Cb 0.49 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.08 2pnr h MET 253 CO 0.03 0.83 -0.13 -0.09 1.06 0.00 0.00 176.91 178.60 2pnr h ARG 254 N -0.61 -0.01 0.81 1.72 2.43 -1.36 0.92 114.38 118.28 2pnr h ARG 254 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2pnr h ARG 254 Cb 0.86 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.42 2pnr h ARG 254 CO 0.02 -0.00 -0.39 0.00 -1.51 0.00 0.00 179.97 178.09 2pnr h ALA 255 N 1.49 -1.19 -0.82 2.80 0.00 -1.51 0.12 119.26 120.15 2pnr h ALA 255 Ca 0.24 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 55.12 2pnr h ALA 255 Cb 0.37 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 2pnr h ALA 255 CO -0.52 -1.11 0.15 1.15 0.00 0.00 0.00 179.25 178.92 2pnr h THR 256 N -1.18 0.34 -0.05 0.00 2.02 -1.02 -0.18 112.91 112.84 2pnr h THR 256 Ca -0.11 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2pnr h THR 256 Cb 0.84 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2pnr h THR 256 CO 0.18 0.03 -0.19 0.58 0.37 0.00 0.00 175.52 176.50 2pnr h VAL 257 N 0.18 1.45 -0.59 3.16 2.07 -0.83 -2.17 116.25 119.53 2pnr h VAL 257 Ca 0.49 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.44 2pnr h VAL 257 Cb 0.93 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 2pnr h VAL 257 CO -0.64 0.45 0.39 -0.33 0.02 0.00 0.00 177.57 177.45 2pnr h GLU 258 N -0.30 0.66 0.11 1.57 5.08 0.20 -3.19 114.58 118.70 2pnr h GLU 258 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2pnr h GLU 258 Cb 0.82 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2pnr h GLU 258 CO 0.04 0.44 -0.05 1.25 -1.00 0.00 0.00 179.01 179.69 2pnr h LEU 259 N 0.68 -0.12 -5.75 1.33 5.85 -1.10 -3.37 115.31 112.83 2pnr h LEU 259 Ca 0.24 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.74 2pnr h LEU 259 Cb 0.10 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2pnr h LEU 259 CO -0.06 0.16 1.87 -1.22 -0.34 0.00 0.00 178.44 178.84 2pnr n TYR 260 N -3.77 0.75 -1.52 1.25 4.01 -0.82 -4.86 117.16 112.20 2pnr n TYR 260 Ca -0.02 -1.28 -0.32 0.00 -0.16 0.00 0.00 57.90 56.12 2pnr n TYR 260 Cb 0.06 -1.18 -0.13 0.00 -0.31 0.00 0.00 39.34 37.78 2pnr n TYR 260 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2pnr n GLU 261 N 4.71 0.33 -0.02 -0.72 1.02 -1.25 -4.88 120.64 119.84 2pnr n GLU 261 Ca 0.25 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2pnr n GLU 261 Cb 0.09 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 2pnr n GLU 261 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2pnr n ASP 262 N 11.88 -0.02 -3.61 1.62 8.00 -1.26 -5.18 116.55 127.97 2pnr n ASP 262 Ca 0.57 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.91 2pnr n ASP 262 Cb 0.24 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 2pnr n ASP 262 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2pnr s TYR 267 N -2.01 -0.61 -0.07 1.24 2.02 -1.26 -5.18 117.35 111.47 2pnr s TYR 267 Ca 0.00 1.26 -0.30 0.00 -0.37 0.00 0.00 57.07 57.67 2pnr s TYR 267 Cb 0.00 0.30 -0.02 0.00 -0.40 0.00 0.00 41.96 41.84 2pnr s TYR 267 CO 0.00 -0.47 1.04 -2.14 -1.57 0.00 0.00 175.55 172.42 2pnr s PRO 268 N -0.56 4.44 1.05 -1.71 0.02 -1.26 -4.74 135.00 132.24 2pnr s PRO 268 Ca -0.07 1.46 -0.15 0.00 0.02 0.00 0.00 61.00 62.26 2pnr s PRO 268 Cb -0.03 -3.52 0.11 0.00 0.02 0.00 0.00 34.50 31.09 2pnr s PRO 268 CO 0.05 -0.28 0.39 0.00 -0.33 0.00 0.00 177.00 176.84 2pnr n ALA 269 N 4.77 -3.14 -2.95 -1.55 0.00 -1.26 -4.58 120.51 111.80 2pnr n ALA 269 Ca 0.09 -0.97 -0.35 0.00 0.00 0.00 0.00 53.44 52.20 2pnr n ALA 269 Cb 0.49 -1.75 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 2pnr n ALA 269 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pnr s VAL 270 N -2.35 4.35 -0.08 0.00 1.01 0.85 -4.62 120.40 119.55 2pnr s VAL 270 Ca 0.59 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 2pnr s VAL 270 Cb -0.18 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2pnr s VAL 270 CO 0.66 0.42 0.10 -0.54 0.00 0.00 0.00 175.10 175.74 2pnr s LYS 271 N 0.86 3.26 0.04 2.72 1.02 -0.43 -1.44 119.74 125.77 2pnr s LYS 271 Ca 0.02 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 55.79 2pnr s LYS 271 Cb -0.14 -3.02 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2pnr s LYS 271 CO 0.02 0.73 -0.15 0.99 -0.92 0.00 0.00 175.35 176.02 2pnr s THR 272 N -1.04 1.21 -0.03 2.17 2.01 0.51 -0.14 115.64 120.32 2pnr s THR 272 Ca 0.17 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 2pnr s THR 272 Cb -0.12 -1.08 0.03 0.00 0.01 0.00 0.00 72.50 71.35 2pnr s THR 272 CO 0.06 0.07 0.06 -0.22 -0.69 0.00 0.00 174.62 173.90 2pnr s LEU 273 N -1.07 0.91 -0.14 4.42 2.96 -0.32 -1.89 118.68 123.54 2pnr s LEU 273 Ca 0.03 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2pnr s LEU 273 Cb -0.08 0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.63 2pnr s LEU 273 CO 0.01 -0.14 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.08 2pnr s VAL 274 N 1.20 3.02 0.09 1.68 1.01 0.21 -1.01 120.40 126.59 2pnr s VAL 274 Ca -0.08 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.30 2pnr s VAL 274 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2pnr s VAL 274 CO -0.04 0.51 -0.16 0.42 0.00 0.00 0.00 175.10 175.83 2pnr s THR 275 N 0.53 1.35 -0.04 3.92 -4.23 0.69 -1.13 115.64 116.73 2pnr s THR 275 Ca -0.08 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2pnr s THR 275 Cb -0.16 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.42 2pnr s THR 275 CO 0.04 -0.19 0.04 -0.22 -0.54 0.00 0.00 174.62 173.74 2pnr s LEU 276 N -1.89 0.51 0.00 4.79 2.96 -1.06 -1.30 118.68 122.68 2pnr s LEU 276 Ca 0.02 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 2pnr s LEU 276 Cb -0.09 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.40 2pnr s LEU 276 CO 0.03 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.47 2pnr n GLY 277 N 4.94 6.89 0.42 7.98 0.00 -0.61 -1.33 105.19 123.49 2pnr n GLY 277 Ca -0.11 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.87 2pnr n GLY 277 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pnr h LYS 278 N 0.00 -0.79 0.00 1.61 1.57 -2.01 -3.37 116.57 113.58 2pnr h LYS 278 Ca 0.00 0.05 -0.39 0.00 -1.87 0.00 0.00 60.65 58.45 2pnr h LYS 278 Cb 0.00 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 2pnr h LYS 278 CO 0.00 -0.53 -2.46 0.39 -0.57 0.00 0.00 179.45 176.28 2pnr n GLU 279 N -5.50 0.66 -3.93 3.15 1.02 -1.26 -4.78 120.64 110.00 2pnr n GLU 279 Ca -0.10 0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 2pnr n GLU 279 Cb 0.40 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 2pnr n GLU 279 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pnr s ASP 280 N -6.33 6.35 -0.26 1.62 1.01 -1.26 -0.38 116.67 117.42 2pnr s ASP 280 Ca -0.30 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.20 2pnr s ASP 280 Cb 0.08 -1.94 0.07 0.00 1.01 0.00 0.00 42.92 42.14 2pnr s ASP 280 CO 0.64 0.12 -0.06 -0.22 0.21 0.00 0.00 175.17 175.86 2pnr s LEU 281 N -2.83 3.28 -0.12 1.23 2.96 0.62 -1.57 118.68 122.24 2pnr s LEU 281 Ca 0.35 -1.44 -0.01 0.00 -0.22 0.00 0.00 54.13 52.81 2pnr s LEU 281 Cb -0.12 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 2pnr s LEU 281 CO 0.28 -0.24 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.53 2pnr s SER 282 N 1.20 4.33 -0.18 3.68 0.01 -0.42 0.06 113.70 122.38 2pnr s SER 282 Ca -0.04 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2pnr s SER 282 Cb -0.19 -1.51 0.04 0.00 0.21 0.00 0.00 66.02 64.57 2pnr s SER 282 CO -0.07 0.22 -0.09 -0.63 0.41 0.00 0.00 173.24 173.08 2pnr s ILE 283 N 0.06 1.49 -0.09 1.44 1.01 -0.02 -0.22 121.20 124.87 2pnr s ILE 283 Ca -0.03 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2pnr s ILE 283 Cb -0.14 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2pnr s ILE 283 CO 0.04 0.20 -0.11 -0.75 0.00 0.00 0.00 174.94 174.31 2pnr s LYS 284 N 1.47 3.01 -0.11 2.79 2.20 -0.18 -0.10 119.74 128.82 2pnr s LYS 284 Ca 0.00 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 54.99 2pnr s LYS 284 Cb -0.16 -2.57 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 2pnr s LYS 284 CO -0.08 0.43 -0.17 0.42 -0.36 0.00 0.00 175.35 175.59 2pnr s ILE 285 N -0.21 1.59 -0.01 5.43 1.01 -0.00 -1.18 121.20 127.83 2pnr s ILE 285 Ca 0.01 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2pnr s ILE 285 Cb -0.13 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 2pnr s ILE 285 CO 0.03 0.46 -0.17 -0.44 0.00 0.00 0.00 174.94 174.82 2pnr s SER 286 N 0.85 2.00 0.16 3.58 0.01 0.80 -1.05 113.70 120.04 2pnr s SER 286 Ca -0.09 -0.32 0.07 0.00 1.31 0.00 0.00 55.95 56.92 2pnr s SER 286 Cb -0.15 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 2pnr s SER 286 CO 0.00 0.20 -0.15 1.51 0.41 0.00 0.00 173.24 175.21 2pnr s ASP 287 N -0.46 2.33 -0.69 2.44 1.47 -0.86 -1.31 116.67 119.60 2pnr s ASP 287 Ca 0.06 -0.89 0.01 0.00 1.18 0.00 0.00 52.55 52.91 2pnr s ASP 287 Cb -0.07 -0.11 0.38 0.00 -0.34 0.00 0.00 42.92 42.79 2pnr s ASP 287 CO -0.00 -0.13 1.71 0.18 0.68 0.00 0.00 175.17 177.60 2pnr n LEU 288 N 0.18 6.56 -1.95 2.11 4.77 -1.26 -1.95 117.00 125.45 2pnr n LEU 288 Ca -0.12 -4.93 -0.20 0.00 -0.03 0.00 0.00 56.01 50.73 2pnr n LEU 288 Cb 0.58 -0.84 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2pnr n LEU 288 CO 0.30 1.91 1.21 0.61 -1.33 0.00 0.00 177.39 180.09 2pnr n GLY 289 N -0.55 4.33 3.50 -0.72 0.00 -1.23 -4.82 105.19 105.70 2pnr n GLY 289 Ca 0.49 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.12 0.77 3.12 -0.02 0.00 0.02 -4.68 105.19 104.27 2pnr n GLY 290 Ca 0.38 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.52 2pnr n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnr n GLY 291 N -2.00 -1.69 3.04 -0.02 0.00 -1.24 -0.71 105.19 102.57 2pnr n GLY 291 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.36 0.01 0.31 1.61 1.01 -1.26 -4.61 120.40 116.11 2pnr s VAL 292 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2pnr s VAL 292 Cb 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 36.38 36.02 2pnr s VAL 292 CO 0.00 -0.05 1.34 -2.16 0.00 0.00 0.00 175.10 174.23 2pnr s PRO 293 N -0.12 4.32 0.23 2.72 0.04 -1.26 -3.96 135.00 136.98 2pnr s PRO 293 Ca -0.02 2.25 -0.11 0.00 0.04 0.00 0.00 61.00 63.16 2pnr s PRO 293 Cb -0.02 -3.08 0.33 0.00 0.04 0.00 0.00 34.50 31.77 2pnr s PRO 293 CO 0.00 -0.26 1.61 1.25 0.04 0.00 0.00 177.00 179.64 2pnr h LEU 294 N 3.76 -0.64 -0.70 -3.56 5.85 -2.01 -2.04 115.31 115.96 2pnr h LEU 294 Ca -0.48 0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.58 2pnr h LEU 294 Cb 1.22 0.45 -0.13 0.00 0.37 0.00 0.00 40.66 42.57 2pnr h LEU 294 CO 0.68 -0.24 -0.35 -0.09 -0.34 0.00 0.00 178.44 178.11 2pnr h ARG 295 N 0.01 -0.11 -0.33 1.25 2.43 -2.03 -2.27 114.38 113.33 2pnr h ARG 295 Ca 0.37 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 2pnr h ARG 295 Cb 0.58 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2pnr h ARG 295 CO -0.75 -0.07 -0.02 0.87 -1.51 0.00 0.00 179.97 178.48 2pnr h LYS 296 N -0.12 0.60 -0.93 0.20 1.57 -1.76 -3.29 116.57 112.84 2pnr h LYS 296 Ca 0.27 -0.20 0.33 0.00 -1.87 0.00 0.00 60.65 59.17 2pnr h LYS 296 Cb 0.56 -0.05 -0.17 0.00 0.08 0.00 0.00 32.23 32.66 2pnr h LYS 296 CO -0.77 0.74 0.27 -0.89 -0.57 0.00 0.00 179.45 178.23 2pnr n ILE 297 N -4.50 -0.39 -0.00 1.86 5.41 -0.85 0.13 119.36 121.01 2pnr n ILE 297 Ca -0.02 1.96 -0.11 0.00 1.00 0.00 0.00 62.75 65.58 2pnr n ILE 297 Cb 0.29 -3.02 -0.05 0.00 -0.71 0.00 0.00 39.64 36.14 2pnr n ILE 297 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2pnr h ASP 298 N 0.00 0.11 0.00 4.38 3.58 -1.63 -1.92 116.42 120.95 2pnr h ASP 298 Ca 0.68 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.10 2pnr h ASP 298 Cb 1.64 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.66 2pnr h ASP 298 CO -0.79 0.11 0.02 0.54 -2.88 0.00 0.00 179.24 176.24 2pnr n ARG 299 N -5.01 0.00 0.00 0.28 1.74 0.35 -0.15 116.66 113.87 2pnr n ARG 299 Ca -0.05 0.23 0.15 0.00 -0.77 0.00 0.00 57.85 57.40 2pnr n ARG 299 Cb 0.04 -1.52 0.67 0.00 -1.02 0.00 0.00 32.46 30.64 2pnr n ARG 299 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pnr n LEU 300 N -1.21 0.45 -0.01 0.55 4.77 -0.72 -3.99 117.00 116.84 2pnr n LEU 300 Ca 0.00 -0.02 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2pnr n LEU 300 Cb 0.02 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2pnr n LEU 300 CO 0.00 0.08 -0.59 0.49 -1.33 0.00 0.00 177.39 176.04 2pnr n PHE 301 N -0.88 0.00 -1.63 -1.77 3.72 0.78 -4.29 117.46 113.39 2pnr n PHE 301 Ca 0.17 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.26 2pnr n PHE 301 Cb 0.25 -0.14 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 2pnr n PHE 301 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 2pnr s ASN 302 N -3.20 5.10 0.00 4.37 0.01 -1.23 -4.67 114.94 115.32 2pnr s ASN 302 Ca -0.02 1.41 0.00 0.00 -0.71 0.00 0.00 52.86 53.54 2pnr s ASN 302 Cb 0.01 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.44 2pnr s ASN 302 CO 0.13 -1.59 0.86 -1.22 -1.51 0.00 0.00 177.10 173.77 2pnr n TYR 303 N -3.20 0.00 -1.20 2.20 4.01 -1.26 -4.94 117.16 112.76 2pnr n TYR 303 Ca 0.07 -0.39 -0.20 0.00 -0.16 0.00 0.00 57.90 57.22 2pnr n TYR 303 Cb 0.55 -0.22 0.21 0.00 -0.31 0.00 0.00 39.34 39.57 2pnr n TYR 303 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pnr n MET 304 N 0.45 2.52 0.00 -0.72 0.00 -1.26 -5.15 117.12 112.96 2pnr n MET 304 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 57.70 54.67 2pnr n MET 304 Cb 0.43 -2.17 0.00 0.00 0.00 0.00 0.00 33.22 31.48 2pnr n MET 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2pnr n GLY 327 N -0.96 1.08 0.09 3.17 0.00 -1.26 -5.05 105.19 102.26 2pnr n GLY 327 Ca 0.55 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 2pnr n GLY 327 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pnr h LEU 328 N 0.00 0.03 -0.90 0.99 5.85 -1.96 -3.05 115.31 116.27 2pnr h LEU 328 Ca 0.00 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 2pnr h LEU 328 Cb 0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2pnr h LEU 328 CO 0.00 0.86 -0.43 -0.65 -0.34 0.00 0.00 178.44 177.88 2pnr h PRO 329 N 0.01 0.25 0.00 5.25 0.11 -1.83 -2.72 132.00 133.07 2pnr h PRO 329 Ca -0.01 -0.12 -0.25 0.00 0.11 0.00 0.00 66.00 65.73 2pnr h PRO 329 Cb 1.50 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.63 2pnr h PRO 329 CO 0.11 0.64 -0.96 0.82 -0.21 0.00 0.00 178.00 178.40 2pnr h ILE 330 N 0.21 1.31 -0.97 4.15 1.08 -1.94 -2.49 117.51 118.85 2pnr h ILE 330 Ca 0.02 -2.22 0.12 0.00 -0.39 0.00 0.00 64.86 62.39 2pnr h ILE 330 Cb 0.86 2.43 -0.08 0.00 -3.07 0.00 0.00 36.82 36.95 2pnr h ILE 330 CO 0.07 0.68 0.60 0.28 -0.69 0.00 0.00 178.15 179.08 2pnr h SER 331 N 0.30 0.86 0.13 1.72 0.02 -1.49 0.14 113.55 115.23 2pnr h SER 331 Ca -0.12 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.74 2pnr h SER 331 Cb 1.63 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 2pnr h SER 331 CO 0.19 0.45 -0.51 -0.09 -1.14 0.00 0.00 176.83 175.73 2pnr h ARG 332 N 0.93 0.42 -0.46 3.45 2.43 -1.44 -2.31 114.38 117.41 2pnr h ARG 332 Ca 0.49 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2pnr h ARG 332 Cb 0.50 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2pnr h ARG 332 CO -0.27 0.83 0.06 -0.07 -1.51 0.00 0.00 179.97 179.00 2pnr h LEU 333 N 0.33 0.67 -0.47 3.80 3.38 -0.46 -1.15 115.31 121.42 2pnr h LEU 333 Ca 0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2pnr h LEU 333 Cb 1.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2pnr h LEU 333 CO 0.09 0.70 0.28 1.88 0.09 0.00 0.00 178.44 181.48 2pnr h TYR 334 N 0.68 0.62 -0.19 1.13 0.05 -0.52 -0.36 116.97 118.38 2pnr h TYR 334 Ca 0.15 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 2pnr h TYR 334 Cb 0.34 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 2pnr h TYR 334 CO 0.02 0.43 0.07 0.00 -1.05 0.00 0.00 178.16 177.63 2pnr h ALA 335 N 1.13 0.24 0.00 3.88 0.00 -0.88 -2.81 119.26 120.83 2pnr h ALA 335 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pnr h ALA 335 Cb -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2pnr h ALA 335 CO -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.06 2pnr h ARG 336 N 0.14 0.00 -0.99 0.00 2.47 -1.07 -0.37 114.38 114.56 2pnr h ARG 336 Ca 0.06 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.82 2pnr h ARG 336 Cb 0.19 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.45 2pnr h ARG 336 CO -0.00 0.00 0.65 -0.92 0.56 0.00 0.00 179.97 180.25 2pnr h TYR 337 N 0.00 1.21 -1.48 3.04 3.20 -0.78 -2.66 116.97 119.50 2pnr h TYR 337 Ca 0.00 0.03 -0.65 0.00 3.14 0.00 0.00 58.73 61.25 2pnr h TYR 337 Cb 0.43 -0.40 -0.36 0.00 1.54 0.00 0.00 36.73 37.93 2pnr h TYR 337 CO 0.00 0.69 -0.02 1.19 -1.64 0.00 0.00 178.16 178.38 2pnr n PHE 338 N -4.44 3.16 -1.72 -3.82 3.72 -1.21 -1.14 117.46 112.01 2pnr n PHE 338 Ca 0.14 -2.73 -0.20 0.00 -0.05 0.00 0.00 57.45 54.61 2pnr n PHE 338 Cb 0.10 -0.61 -0.07 0.00 -0.94 0.00 0.00 39.48 37.96 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 -0.58 -1.44 0.00 -1.08 1.13 -1.00 -4.38 117.38 110.03 2pnr n GLN 339 Ca 0.47 1.17 0.00 0.00 -1.94 0.00 0.00 57.00 56.70 2pnr n GLN 339 Cb 0.58 -5.57 0.00 0.00 0.11 0.00 0.00 30.24 25.36 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 -0.58 1.67 3.56 1.08 0.00 -0.15 -4.65 105.19 106.11 2pnr n GLY 340 Ca -0.21 -1.95 -0.06 0.00 0.00 0.00 0.00 46.02 43.80 2pnr n GLY 340 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnr s ASP 341 N -1.00 -0.26 -0.09 1.61 2.15 0.40 -3.77 116.67 115.71 2pnr s ASP 341 Ca 0.00 -0.03 -0.00 0.00 0.43 0.00 0.00 52.55 52.94 2pnr s ASP 341 Cb 0.00 0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.94 2pnr s ASP 341 CO 0.00 -0.49 -0.05 -0.22 -0.17 0.00 0.00 175.17 174.24 2pnr s LEU 342 N -2.43 1.01 0.15 -1.34 0.20 -1.26 0.55 118.68 115.56 2pnr s LEU 342 Ca 0.07 -0.21 0.11 0.00 0.69 0.00 0.00 54.13 54.79 2pnr s LEU 342 Cb -0.01 -0.67 -0.04 0.00 -0.43 0.00 0.00 46.19 45.05 2pnr s LEU 342 CO -0.07 -0.13 -0.25 -0.54 -0.29 0.00 0.00 176.35 175.07 2pnr s LYS 343 N 1.67 1.40 -0.04 1.98 1.02 0.40 -4.96 119.74 121.21 2pnr s LYS 343 Ca 0.02 -1.38 0.04 0.00 0.02 0.00 0.00 55.97 54.67 2pnr s LYS 343 Cb -0.13 -1.81 -0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2pnr s LYS 343 CO -0.06 0.42 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.13 2pnr s LEU 344 N -2.24 1.89 -0.14 3.17 1.43 -1.26 -0.07 118.68 121.47 2pnr s LEU 344 Ca 0.15 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2pnr s LEU 344 Cb -0.09 -0.88 0.05 0.00 0.03 0.00 0.00 46.19 45.29 2pnr s LEU 344 CO 0.07 0.14 0.35 -0.72 0.23 0.00 0.00 176.35 176.41 2pnr s TYR 345 N 0.05 -0.45 0.18 0.29 -0.85 -0.33 -5.01 117.35 111.23 2pnr s TYR 345 Ca -0.03 1.03 0.07 0.00 -0.52 0.00 0.00 57.07 57.63 2pnr s TYR 345 Cb -0.11 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 2pnr s TYR 345 CO 0.02 -0.25 -0.15 0.45 -1.52 0.00 0.00 175.55 174.10 2pnr s SER 346 N 0.87 2.45 -0.61 -0.18 0.15 -1.26 -0.99 113.70 114.13 2pnr s SER 346 Ca -0.06 -0.97 -0.01 0.00 0.70 0.00 0.00 55.95 55.61 2pnr s SER 346 Cb -0.06 -0.12 0.16 0.00 -1.71 0.00 0.00 66.02 64.28 2pnr s SER 346 CO -0.06 -0.16 0.41 -0.04 1.20 0.00 0.00 173.24 174.58 2pnr s MET 347 N -3.41 2.44 -0.29 5.44 -1.94 -0.91 -4.88 119.30 115.76 2pnr s MET 347 Ca 0.19 -2.59 -0.36 0.00 -1.71 0.00 0.00 55.69 51.22 2pnr s MET 347 Cb -0.02 -3.63 -0.12 0.00 2.01 0.00 0.00 34.83 33.07 2pnr s MET 347 CO 0.06 -1.16 2.04 -1.91 -0.01 0.00 0.00 175.02 174.03 2pnr n GLU 348 N 3.33 1.30 0.00 2.03 2.13 -1.25 -0.07 120.64 128.11 2pnr n GLU 348 Ca 0.08 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.31 2pnr n GLU 348 Cb 0.36 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.65 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 5.65 1.71 1.30 8.31 0.00 0.11 -4.94 105.19 117.33 2pnr n GLY 349 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.10 0.77 -3.08 1.61 0.31 0.90 -4.69 118.33 114.05 2pnr n VAL 350 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 2pnr n VAL 350 Cb 0.00 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 2.97 1.05 3.12 2.92 0.00 -1.13 -0.80 105.19 113.32 2pnr n GLY 351 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.21 0.70 -0.22 2.61 2.01 -0.82 -2.14 115.64 115.56 2pnr s THR 352 Ca 0.00 -1.45 -0.00 0.00 0.31 0.00 0.00 61.69 60.54 2pnr s THR 352 Cb 0.00 -1.10 0.06 0.00 0.01 0.00 0.00 72.50 71.47 2pnr s THR 352 CO 0.00 -0.55 -0.03 -1.81 -0.69 0.00 0.00 174.62 171.54 2pnr s ASP 353 N -2.19 3.57 -0.15 3.53 1.01 -0.16 -2.02 116.67 120.26 2pnr s ASP 353 Ca -0.00 -1.07 -0.06 0.00 0.71 0.00 0.00 52.55 52.13 2pnr s ASP 353 Cb -0.04 -1.01 -0.04 0.00 1.01 0.00 0.00 42.92 42.84 2pnr s ASP 353 CO -0.01 -0.25 0.07 0.00 0.21 0.00 0.00 175.17 175.19 2pnr s ALA 354 N 1.53 3.51 -0.01 5.23 0.00 -0.21 -1.18 121.76 130.62 2pnr s ALA 354 Ca -0.04 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2pnr s ALA 354 Cb -0.18 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 2pnr s ALA 354 CO -0.07 0.36 -0.07 0.08 0.00 0.00 0.00 175.76 176.07 2pnr s VAL 355 N -0.21 0.55 -0.16 0.00 1.01 0.90 -0.82 120.40 121.67 2pnr s VAL 355 Ca 0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 2pnr s VAL 355 Cb -0.12 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 2pnr s VAL 355 CO 0.01 0.17 -0.11 -0.63 0.00 0.00 0.00 175.10 174.54 2pnr s ILE 356 N 0.01 3.09 -0.21 2.22 1.01 0.85 -0.45 121.20 127.72 2pnr s ILE 356 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 2pnr s ILE 356 Cb -0.05 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 2pnr s ILE 356 CO -0.00 0.50 -0.08 -0.31 0.00 0.00 0.00 174.94 175.05 2pnr s TYR 357 N 0.68 2.92 0.03 3.97 2.02 0.19 -0.84 117.35 126.32 2pnr s TYR 357 Ca -0.06 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.66 2pnr s TYR 357 Cb -0.15 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2pnr s TYR 357 CO 0.02 -0.59 -0.24 -0.51 -1.57 0.00 0.00 175.55 172.67 2pnr s LEU 358 N 1.41 2.13 0.11 -1.29 1.43 0.11 -0.46 118.68 122.12 2pnr s LEU 358 Ca 0.05 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.32 2pnr s LEU 358 Cb -0.14 -1.16 -0.09 0.00 0.03 0.00 0.00 46.19 44.83 2pnr s LEU 358 CO -0.05 0.24 1.59 -0.54 0.23 0.00 0.00 176.35 177.82 2pnr s LYS 359 N -1.02 4.22 0.00 1.70 -0.14 -1.26 -0.28 119.74 122.96 2pnr s LYS 359 Ca 0.10 2.31 0.24 0.00 -1.36 0.00 0.00 55.97 57.26 2pnr s LYS 359 Cb -0.09 -3.41 1.24 0.00 -1.68 0.00 0.00 37.83 33.89 2pnr s LYS 359 CO 0.01 -0.66 1.81 0.00 -0.76 0.00 0.00 175.35 175.76 2pnr n ALA 360 N 4.86 2.24 -3.77 5.17 0.00 0.49 -4.69 120.51 124.82 2pnr n ALA 360 Ca 0.15 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2pnr n ALA 360 Cb 0.40 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 18.29 2pnr n ALA 360 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pnr s LEU 361 N -2.56 1.93 0.47 0.00 1.43 -1.26 -4.83 118.68 113.86 2pnr s LEU 361 Ca 0.23 -0.54 0.21 0.00 -1.03 0.00 0.00 54.13 53.00 2pnr s LEU 361 Cb 0.16 -1.30 1.22 0.00 0.03 0.00 0.00 46.19 46.30 2pnr s LEU 361 CO 0.37 0.03 1.93 0.77 0.23 0.00 0.00 176.35 179.68 2pnr h SER 362 N 7.53 0.22 0.19 2.29 4.64 -1.86 0.17 113.55 126.72 2pnr h SER 362 Ca -0.34 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2pnr h SER 362 Cb 1.17 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2pnr h SER 362 CO 0.54 0.11 -0.06 0.77 -0.87 0.00 0.00 176.83 177.31 2pnr h SER 363 N 0.23 0.00 -0.34 4.97 4.64 -1.95 -2.64 113.55 118.46 2pnr h SER 363 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2pnr h SER 363 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2pnr h SER 363 CO -0.07 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 2pnr n GLU 364 N -3.73 2.84 -3.04 4.77 1.02 0.57 -4.77 120.64 118.30 2pnr n GLU 364 Ca -0.02 -2.04 -0.44 0.00 -0.02 0.00 0.00 57.16 54.64 2pnr n GLU 364 Cb 0.16 -1.27 0.01 0.00 -0.02 0.00 0.00 31.44 30.32 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 0.51 5.88 -4.91 1.62 7.64 -1.01 -4.79 113.62 118.56 2pnr n SER 365 Ca 0.11 -3.22 -0.28 0.00 1.01 0.00 0.00 58.87 56.49 2pnr n SER 365 Cb 0.42 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.23 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 -1.56 3.48 0.39 1.43 0.08 -1.26 -0.90 117.98 119.63 2pnr s PHE 366 Ca 0.33 0.60 -0.26 0.00 0.12 0.00 0.00 56.93 57.72 2pnr s PHE 366 Cb -0.00 -2.07 -0.09 0.00 -0.57 0.00 0.00 43.02 40.29 2pnr s PHE 366 CO 0.02 0.20 1.20 -1.21 -0.10 0.00 0.00 175.22 175.33 2pnr s GLU 367 N -3.52 4.11 -0.31 0.44 2.02 0.45 -3.46 118.70 118.43 2pnr s GLU 367 Ca 0.43 1.93 -0.02 0.00 0.02 0.00 0.00 54.97 57.33 2pnr s GLU 367 Cb -0.11 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.41 2pnr s GLU 367 CO 0.30 -0.30 0.02 -0.98 0.02 0.00 0.00 175.26 174.32 2pnr s ARG 368 N -2.18 2.40 0.05 1.61 1.70 -0.30 -4.65 118.95 117.59 2pnr s ARG 368 Ca 0.55 -1.31 0.03 0.00 -0.47 0.00 0.00 55.73 54.54 2pnr s ARG 368 Cb -0.33 -3.23 -0.04 0.00 -0.57 0.00 0.00 34.95 30.78 2pnr s ARG 368 CO 0.42 -0.66 0.02 -0.51 -1.08 0.00 0.00 175.30 173.48 2pnr s LEU 369 N 1.25 3.55 -0.64 -1.89 1.43 -1.26 -4.84 118.68 116.28 2pnr s LEU 369 Ca -0.04 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.70 2pnr s LEU 369 Cb -0.20 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 43.86 2pnr s LEU 369 CO -0.01 0.21 1.29 -2.84 0.23 0.00 0.00 176.35 175.23 2pnr s PRO 370 N -2.04 3.32 0.11 1.29 0.02 -1.26 -5.02 135.00 131.42 2pnr s PRO 370 Ca 0.24 0.09 -0.22 0.00 0.02 0.00 0.00 61.00 61.13 2pnr s PRO 370 Cb -0.12 -4.11 -0.07 0.00 0.02 0.00 0.00 34.50 30.22 2pnr s PRO 370 CO 0.16 -1.95 0.66 0.08 -0.33 0.00 0.00 177.00 175.62 2pnr s VAL 371 N 5.58 4.57 -0.30 3.83 1.01 -1.26 -4.84 120.40 128.99 2pnr s VAL 371 Ca 0.42 1.44 -0.10 0.00 0.00 0.00 0.00 61.98 63.74 2pnr s VAL 371 Cb -0.08 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2pnr s VAL 371 CO 0.21 0.54 0.16 0.12 0.00 0.00 0.00 175.10 176.13 2pnr s PHE 372 N -1.12 3.18 0.00 5.22 5.36 -1.26 -4.63 117.98 124.72 2pnr s PHE 372 Ca 0.32 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 2pnr s PHE 372 Cb -0.21 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.11 2pnr s PHE 372 CO 0.22 -0.38 0.00 0.27 -1.46 0.00 0.00 175.22 173.87 2pnr n ASN 373 N 5.00 0.00 -0.00 6.13 0.23 -1.26 -4.83 115.26 120.52 2pnr n ASN 373 Ca -0.14 -0.25 -0.10 0.00 -0.53 0.00 0.00 54.58 53.56 2pnr n ASN 373 Cb 0.50 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.15 2pnr n ASN 373 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2pnr h LYS 374 N 0.00 0.04 -0.14 -3.83 1.79 -1.98 0.67 116.57 113.13 2pnr h LYS 374 Ca 0.00 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2pnr h LYS 374 Cb 0.00 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 2pnr h LYS 374 CO 0.00 0.03 -0.43 0.77 -1.08 0.00 0.00 179.45 178.74 2pnr h SER 375 N 0.04 -1.36 -0.86 0.86 0.02 -1.97 0.30 113.55 110.58 2pnr h SER 375 Ca 0.05 0.18 0.13 0.00 -0.84 0.00 0.00 61.79 61.31 2pnr h SER 375 Cb 0.06 0.55 -0.09 0.00 0.14 0.00 0.00 62.40 63.06 2pnr h SER 375 CO -0.08 -0.43 0.48 0.00 -1.14 0.00 0.00 176.83 175.65 2pnr h ALA 376 N 0.09 1.29 -0.66 3.77 0.00 -1.77 -0.89 119.26 121.08 2pnr h ALA 376 Ca 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2pnr h ALA 376 Cb 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2pnr h ALA 376 CO -0.41 0.01 0.22 2.35 0.00 0.00 0.00 179.25 181.42 2pnr h TRP 377 N 0.72 1.03 -0.83 0.00 7.01 0.10 -3.01 115.95 120.97 2pnr h TRP 377 Ca 0.45 -0.08 0.03 0.00 2.11 0.00 0.00 58.89 61.40 2pnr h TRP 377 Cb 0.55 -0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.26 2pnr h TRP 377 CO -0.07 0.81 0.54 0.00 -2.79 0.00 0.00 178.44 176.94 2pnr h ARG 378 N 0.97 1.00 0.00 2.65 3.08 0.97 -1.62 114.38 121.43 2pnr h ARG 378 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2pnr h ARG 378 Cb 0.25 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2pnr h ARG 378 CO -0.01 0.66 0.00 0.72 -1.07 0.00 0.00 179.97 180.27 2pnr n HIS 379 N -4.44 0.55 0.80 3.04 8.25 -1.14 -1.62 115.22 120.65 2pnr n HIS 379 Ca 0.11 0.27 0.10 0.00 -0.26 0.00 0.00 57.72 57.94 2pnr n HIS 379 Cb 0.10 -0.94 0.10 0.00 1.12 0.00 0.00 29.99 30.37 2pnr n HIS 379 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2pnr n TYR 380 N -2.05 0.05 0.31 4.41 4.02 -0.61 -4.35 117.16 118.94 2pnr n TYR 380 Ca -0.00 -0.03 0.03 0.00 -0.01 0.00 0.00 57.90 57.89 2pnr n TYR 380 Cb 0.06 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.34 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 1.19 4.67 0.00 -0.72 4.76 -0.64 -4.94 118.16 122.47 2pnr n LYS 381 Ca 0.13 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2pnr n LYS 381 Cb 0.52 -0.83 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 2pnr n LYS 381 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2pnr n THR 382 N -1.17 0.00 0.00 -0.18 -2.24 -1.18 -5.14 114.28 104.37 2pnr n THR 382 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2pnr n THR 382 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2pnr n THR 382 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnr n ALA 386 N -3.00 0.00 -3.73 6.98 0.00 -1.26 -4.96 120.51 114.54 2pnr n ALA 386 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2pnr n ALA 386 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2pnr n ALA 386 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2pnr s ASP 387 N 0.00 0.45 -0.24 0.00 2.15 -1.26 -4.96 116.67 112.81 2pnr s ASP 387 Ca 0.00 0.02 0.12 0.00 0.43 0.00 0.00 52.55 53.12 2pnr s ASP 387 Cb 0.00 -0.14 0.46 0.00 -0.30 0.00 0.00 42.92 42.94 2pnr s ASP 387 CO 0.00 -0.15 1.36 -0.90 -0.17 0.00 0.00 175.17 175.32 2pnr n ASP 388 N 4.44 2.50 -3.89 -0.34 3.85 -1.26 -4.96 116.55 116.89 2pnr n ASP 388 Ca -0.22 -3.61 -0.11 0.00 -0.71 0.00 0.00 54.79 50.14 2pnr n ASP 388 Cb 0.50 -0.57 -0.13 0.00 -1.35 0.00 0.00 41.12 39.57 2pnr n ASP 388 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 2pnr s TRP 389 N -3.14 0.03 -2.00 2.11 0.52 -1.26 -5.50 118.94 109.70 2pnr s TRP 389 Ca 0.41 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.50 2pnr s TRP 389 Cb 0.37 -0.03 0.13 0.00 -1.15 0.00 0.00 33.47 32.79 2pnr s TRP 389 CO -0.00 -0.07 0.62 -1.13 0.02 0.00 0.00 176.95 176.39