#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jpr h LEU 11 N 0.00 0.43 -3.92 3.22 5.85 -1.94 -2.98 115.31 115.96 3jpr h LEU 11 Ca 0.00 -0.08 -0.26 0.00 0.84 0.00 0.00 57.88 58.38 3jpr h LEU 11 Cb 0.00 -0.11 -0.32 0.00 0.37 0.00 0.00 40.66 40.59 3jpr h LEU 11 CO 0.00 0.51 -0.89 0.59 -0.34 0.00 0.00 178.44 178.30 3jpr n ASN 12 N -4.29 2.36 -0.35 1.25 3.02 -1.26 -4.76 115.26 111.21 3jpr n ASN 12 Ca 0.01 -2.86 0.12 0.00 -0.03 0.00 0.00 54.58 51.82 3jpr n ASN 12 Cb 0.24 -0.41 0.30 0.00 -0.61 0.00 0.00 39.78 39.30 3jpr n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3jpr h GLY 13 N 1.79 1.75 0.35 7.41 0.00 -1.94 -0.73 103.07 111.71 3jpr h GLY 13 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3jpr h GLY 13 CO 0.28 -0.02 -0.21 -1.33 0.00 0.00 0.00 176.54 175.26 3jpr h GLY 14 N 0.81 -0.18 0.92 4.60 0.00 -1.90 0.12 103.07 107.44 3jpr h GLY 14 Ca 0.56 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 48.09 3jpr h GLY 14 CO -0.36 -0.18 0.00 -2.22 0.00 0.00 0.00 176.54 173.78 3jpr h ILE 15 N -0.26 1.26 -0.52 2.60 2.04 -1.79 -2.65 117.51 118.19 3jpr h ILE 15 Ca 0.10 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.94 3jpr h ILE 15 Cb 0.41 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3jpr h ILE 15 CO -0.28 0.32 0.10 0.71 0.00 0.00 0.00 178.15 179.00 3jpr h THR 16 N 0.44 1.23 -0.21 -0.27 1.35 -0.81 -1.92 112.91 112.71 3jpr h THR 16 Ca 0.10 -0.84 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 3jpr h THR 16 Cb 0.45 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 3jpr h THR 16 CO 0.02 0.31 0.10 0.44 -0.25 0.00 0.00 175.52 176.14 3jpr h ASP 17 N 0.78 0.28 0.03 5.36 3.32 -0.70 -1.52 116.42 123.98 3jpr h ASP 17 Ca 0.17 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3jpr h ASP 17 Cb 0.32 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3jpr h ASP 17 CO 0.00 0.34 -0.46 -0.03 -1.72 0.00 0.00 179.24 177.37 3jpr h MET 18 N 0.21 -0.61 -0.96 3.56 1.85 -1.09 0.02 114.93 117.91 3jpr h MET 18 Ca 0.07 0.04 0.12 0.00 -0.61 0.00 0.00 59.70 59.33 3jpr h MET 18 Cb 0.13 0.14 -0.08 0.00 0.43 0.00 0.00 31.60 32.22 3jpr h MET 18 CO -0.01 -0.41 0.61 -0.07 -0.40 0.00 0.00 176.91 176.64 3jpr h LEU 19 N -0.63 0.85 -1.03 3.39 3.38 -1.30 0.66 115.31 120.63 3jpr h LEU 19 Ca 0.03 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3jpr h LEU 19 Cb 0.69 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3jpr h LEU 19 CO -0.31 0.45 -0.44 0.74 0.09 0.00 0.00 178.44 178.97 3jpr h THR 20 N 0.91 1.32 -0.27 0.22 2.02 -0.30 0.18 112.91 116.99 3jpr h THR 20 Ca 0.48 -1.55 -0.17 0.00 0.77 0.00 0.00 66.41 65.94 3jpr h THR 20 Cb 0.53 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 3jpr h THR 20 CO -0.24 0.45 -0.51 -0.08 0.37 0.00 0.00 175.52 175.51 3jpr h GLU 21 N 0.08 0.81 -0.52 6.66 4.81 0.86 -0.81 114.58 126.47 3jpr h GLU 21 Ca 0.00 -0.52 -0.08 0.00 -0.13 0.00 0.00 59.36 58.63 3jpr h GLU 21 Cb 0.81 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 3jpr h GLU 21 CO 0.06 1.15 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.41 3jpr h LEU 22 N 0.57 0.86 0.18 1.64 3.38 -0.53 -1.44 115.31 119.97 3jpr h LEU 22 Ca 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3jpr h LEU 22 Cb 1.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3jpr h LEU 22 CO 0.11 0.93 -0.09 0.00 0.09 0.00 0.00 178.44 179.49 3jpr h ALA 23 N 1.16 -0.24 -0.58 1.53 0.00 -0.46 -1.70 119.26 118.97 3jpr h ALA 23 Ca 0.15 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3jpr h ALA 23 Cb 0.50 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3jpr h ALA 23 CO 0.02 -0.56 0.39 -0.91 0.00 0.00 0.00 179.25 178.19 3jpr h ASN 24 N -0.39 0.48 0.12 0.00 2.35 -1.00 -1.37 115.58 115.76 3jpr h ASN 24 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3jpr h ASN 24 Cb 0.30 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3jpr h ASN 24 CO 0.04 0.31 -0.06 0.15 -1.65 0.00 0.00 177.43 176.22 3jpr h PHE 25 N 0.55 -0.15 -0.80 1.19 3.04 -0.95 0.10 116.94 119.92 3jpr h PHE 25 Ca 0.25 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.26 3jpr h PHE 25 Cb 0.30 0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 3jpr h PHE 25 CO -0.00 0.14 0.52 0.93 -2.02 0.00 0.00 178.31 177.88 3jpr h GLU 26 N -0.44 0.86 0.07 1.11 4.39 -0.79 -0.26 114.58 119.51 3jpr h GLU 26 Ca -0.02 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3jpr h GLU 26 Cb 0.36 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3jpr h GLU 26 CO 0.03 0.57 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.19 3jpr h LYS 27 N 0.88 -0.09 0.03 2.33 3.64 -1.14 0.50 116.57 122.73 3jpr h LYS 27 Ca 0.34 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3jpr h LYS 27 Cb 0.21 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3jpr h LYS 27 CO -0.12 0.49 -0.01 -0.91 -2.27 0.00 0.00 179.45 176.63 3jpr h ASN 28 N -0.88 -0.03 0.00 4.20 2.35 -0.71 -3.02 115.58 117.49 3jpr h ASN 28 Ca -0.01 -0.62 -0.09 0.00 -0.55 0.00 0.00 56.30 55.03 3jpr h ASN 28 Cb 0.61 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3jpr h ASN 28 CO 0.02 0.63 -0.61 0.58 -1.65 0.00 0.00 177.43 176.40 3jpr h VAL 29 N -0.72 0.68 0.00 2.81 2.07 -1.24 -3.39 116.25 116.45 3jpr h VAL 29 Ca -0.00 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 3jpr h VAL 29 Cb 0.65 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3jpr h VAL 29 CO 0.01 0.23 -0.12 0.28 0.02 0.00 0.00 177.57 177.99 3jpr h SER 30 N -1.00 0.00 -6.15 0.57 0.02 -1.36 -3.47 113.55 102.16 3jpr h SER 30 Ca -0.13 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.38 3jpr h SER 30 Cb 0.81 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.38 3jpr h SER 30 CO -0.08 0.12 -0.79 0.00 -1.14 0.00 0.00 176.83 174.94 3jpr n GLN 31 N -3.20 -5.44 -3.77 3.45 6.02 0.87 -4.92 117.38 110.40 3jpr n GLN 31 Ca 0.01 0.63 -0.33 0.00 -0.01 0.00 0.00 57.00 57.31 3jpr n GLN 31 Cb 0.44 -5.38 -0.09 0.00 1.02 0.00 0.00 30.24 26.23 3jpr n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jpr s ALA 32 N -3.48 3.97 0.24 -1.58 0.00 0.14 -4.98 121.76 116.06 3jpr s ALA 32 Ca 0.33 -3.76 -0.06 0.00 0.00 0.00 0.00 51.96 48.46 3jpr s ALA 32 Cb -0.16 -2.51 0.42 0.00 0.00 0.00 0.00 23.12 20.87 3jpr s ALA 32 CO 0.81 -2.12 1.70 0.97 0.00 0.00 0.00 175.76 177.12 3jpr h ILE 33 N 4.38 0.57 -0.09 0.00 6.09 -1.90 -1.30 117.51 125.26 3jpr h ILE 33 Ca 0.12 -0.10 -0.12 0.00 -1.37 0.00 0.00 64.86 63.39 3jpr h ILE 33 Cb 0.81 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.32 3jpr h ILE 33 CO 0.78 0.06 -0.50 0.45 -3.07 0.00 0.00 178.15 175.87 3jpr h HIS 34 N 0.30 0.27 -0.24 2.19 3.86 -1.96 -1.39 115.15 118.19 3jpr h HIS 34 Ca 0.39 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.38 3jpr h HIS 34 Cb 0.64 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3jpr h HIS 34 CO -0.24 0.68 -0.40 0.87 0.86 0.00 0.00 177.93 179.70 3jpr h LYS 35 N 0.18 0.57 0.39 2.45 1.57 -1.79 0.96 116.57 120.90 3jpr h LYS 35 Ca 0.01 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3jpr h LYS 35 Cb 0.94 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3jpr h LYS 35 CO 0.08 0.88 -0.26 -0.92 -0.57 0.00 0.00 179.45 178.66 3jpr h TYR 36 N 0.47 -0.67 -0.12 -1.35 3.20 -0.86 -1.56 116.97 116.07 3jpr h TYR 36 Ca 0.04 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3jpr h TYR 36 Cb 0.91 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3jpr h TYR 36 CO 0.04 -0.39 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.09 3jpr h ASN 37 N -0.63 0.18 -0.30 -2.11 2.35 -1.10 -1.79 115.58 112.18 3jpr h ASN 37 Ca -0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3jpr h ASN 37 Cb 0.53 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3jpr h ASN 37 CO 0.03 0.36 0.18 0.00 -1.65 0.00 0.00 177.43 176.35 3jpr h ALA 38 N 1.66 0.38 -0.42 -0.83 0.00 -0.42 -1.57 119.26 118.06 3jpr h ALA 38 Ca 0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3jpr h ALA 38 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3jpr h ALA 38 CO 0.03 -0.11 -0.03 1.88 0.00 0.00 0.00 179.25 181.01 3jpr h TYR 39 N 0.38 0.84 -0.63 0.00 0.05 -0.82 -2.50 116.97 114.29 3jpr h TYR 39 Ca 0.11 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 3jpr h TYR 39 Cb 0.02 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 3jpr h TYR 39 CO -0.04 0.84 0.31 0.00 -1.05 0.00 0.00 178.16 178.22 3jpr h ARG 40 N 0.60 0.90 -0.51 4.88 3.08 -1.23 -0.64 114.38 121.46 3jpr h ARG 40 Ca 0.12 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3jpr h ARG 40 Cb 0.53 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3jpr h ARG 40 CO 0.03 0.72 0.25 -0.22 -1.07 0.00 0.00 179.97 179.68 3jpr h LYS 41 N 0.87 0.72 -0.63 0.04 3.64 -1.26 0.26 116.57 120.21 3jpr h LYS 41 Ca 0.22 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3jpr h LYS 41 Cb 0.11 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3jpr h LYS 41 CO -0.03 0.59 0.40 0.00 -2.27 0.00 0.00 179.45 178.14 3jpr h ALA 42 N 1.09 0.80 -0.57 5.00 0.00 -1.16 0.19 119.26 124.61 3jpr h ALA 42 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3jpr h ALA 42 Cb 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3jpr h ALA 42 CO -0.02 0.25 0.29 0.00 0.00 0.00 0.00 179.25 179.77 3jpr h ALA 43 N 1.21 0.73 0.08 0.00 0.00 -0.65 -0.40 119.26 120.23 3jpr h ALA 43 Ca 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3jpr h ALA 43 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3jpr h ALA 43 CO -0.05 0.26 -0.04 1.03 0.00 0.00 0.00 179.25 180.46 3jpr h SER 44 N 0.76 -0.09 -0.98 0.00 0.87 0.19 0.59 113.55 114.88 3jpr h SER 44 Ca 0.20 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 3jpr h SER 44 Cb 0.08 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 3jpr h SER 44 CO -0.03 0.07 0.64 0.58 -0.53 0.00 0.00 176.83 177.56 3jpr h VAL 45 N -0.25 1.11 -0.00 2.23 2.07 -0.48 -2.33 116.25 118.61 3jpr h VAL 45 Ca -0.01 -0.40 -0.21 0.00 0.82 0.00 0.00 66.70 66.89 3jpr h VAL 45 Cb 0.21 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.81 3jpr h VAL 45 CO 0.02 0.21 -0.91 0.40 0.02 0.00 0.00 177.57 177.31 3jpr h ILE 46 N 1.18 1.43 0.00 4.57 2.04 -0.91 -2.83 117.51 122.99 3jpr h ILE 46 Ca 0.41 -2.50 -0.02 0.00 1.00 0.00 0.00 64.86 63.76 3jpr h ILE 46 Cb 0.12 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3jpr h ILE 46 CO -0.15 0.74 -0.08 0.00 0.00 0.00 0.00 178.15 178.66 3jpr h ALA 47 N 0.83 1.34 0.00 1.87 0.00 -0.36 -1.68 119.26 121.26 3jpr h ALA 47 Ca -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3jpr h ALA 47 Cb 1.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3jpr h ALA 47 CO 0.15 0.10 -0.93 -0.22 0.00 0.00 0.00 179.25 178.34 3jpr h LYS 48 N 0.00 0.00 -6.29 0.00 3.64 -1.37 -3.46 116.57 109.09 3jpr h LYS 48 Ca -0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 3jpr h LYS 48 Cb 0.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3jpr h LYS 48 CO 0.01 0.08 1.22 -0.47 -2.27 0.00 0.00 179.45 178.03 3jpr s TYR 49 N -3.24 1.46 -0.61 1.91 5.04 -0.63 -4.87 117.35 116.41 3jpr s TYR 49 Ca 0.00 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 3jpr s TYR 49 Cb 0.09 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 38.27 3jpr s TYR 49 CO 0.78 -4.91 0.59 -0.35 -1.34 0.00 0.00 175.55 170.31 3jpr n PRO 50 N 7.59 0.85 -4.10 4.97 -0.04 -1.26 -4.79 135.00 138.22 3jpr n PRO 50 Ca 0.20 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.53 3jpr n PRO 50 Cb 0.42 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.48 3jpr n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3jpr s HIS 51 N -0.55 0.80 -0.48 0.54 3.76 -1.26 -5.10 115.29 113.00 3jpr s HIS 51 Ca 0.00 -0.55 -0.27 0.00 -0.15 0.00 0.00 55.06 54.09 3jpr s HIS 51 Cb 0.00 -0.47 0.03 0.00 1.11 0.00 0.00 32.58 33.25 3jpr s HIS 51 CO 0.00 -0.06 1.05 0.21 -0.85 0.00 0.00 174.74 175.09 3jpr s LYS 52 N -1.90 3.62 0.06 1.40 2.20 -1.26 -4.83 119.74 119.03 3jpr s LYS 52 Ca -0.06 0.36 -0.34 0.00 -0.36 0.00 0.00 55.97 55.57 3jpr s LYS 52 Cb -0.08 -3.93 -0.13 0.00 -1.51 0.00 0.00 37.83 32.18 3jpr s LYS 52 CO 0.00 -1.35 1.68 -0.89 -0.36 0.00 0.00 175.35 174.43 3jpr n ILE 53 N 6.66 0.21 -0.03 5.43 5.41 -1.26 -4.90 119.36 130.89 3jpr n ILE 53 Ca 0.09 -0.04 0.01 0.00 1.00 0.00 0.00 62.75 63.81 3jpr n ILE 53 Cb 0.49 -1.63 -0.14 0.00 -0.71 0.00 0.00 39.64 37.65 3jpr n ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3jpr n LYS 54 N 4.57 0.66 -3.77 0.38 5.02 -1.26 -5.03 118.16 118.73 3jpr n LYS 54 Ca 0.19 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3jpr n LYS 54 Cb 0.28 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 3jpr n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jpr s SER 55 N -5.22 -0.25 0.41 4.39 1.04 -1.26 -5.02 113.70 107.79 3jpr s SER 55 Ca -0.07 -0.53 0.19 0.00 0.48 0.00 0.00 55.95 56.02 3jpr s SER 55 Cb 0.10 0.60 0.90 0.00 0.10 0.00 0.00 66.02 67.72 3jpr s SER 55 CO 0.85 -1.11 1.86 1.23 0.98 0.00 0.00 173.24 177.05 3jpr h GLY 56 N 2.16 0.00 0.95 7.32 0.00 -1.85 -2.49 103.07 109.17 3jpr h GLY 56 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3jpr h GLY 56 CO 0.35 0.00 0.17 0.00 0.00 0.00 0.00 176.54 177.06 3jpr h ALA 57 N 1.70 0.56 -0.33 3.60 0.00 -1.95 0.19 119.26 123.02 3jpr h ALA 57 Ca -0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3jpr h ALA 57 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3jpr h ALA 57 CO 0.04 0.17 -0.05 1.49 0.00 0.00 0.00 179.25 180.90 3jpr h GLU 58 N 0.55 0.54 -0.21 0.00 4.81 -1.89 -2.91 114.58 115.48 3jpr h GLU 58 Ca 0.14 -0.13 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 3jpr h GLU 58 Cb 0.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3jpr h GLU 58 CO -0.01 0.60 -0.46 0.00 -0.73 0.00 0.00 179.01 178.41 3jpr h ALA 59 N 1.45 0.34 0.00 2.92 0.00 -0.97 -3.16 119.26 119.83 3jpr h ALA 59 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3jpr h ALA 59 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3jpr h ALA 59 CO 0.02 0.48 0.02 1.17 0.00 0.00 0.00 179.25 180.93 3jpr n LYS 60 N -4.18 0.09 0.12 0.00 4.81 0.62 -1.31 118.16 118.32 3jpr n LYS 60 Ca -0.06 0.59 -0.01 0.00 -0.87 0.00 0.00 58.31 57.96 3jpr n LYS 60 Cb 0.57 -1.82 0.10 0.00 0.02 0.00 0.00 35.03 33.90 3jpr n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3jpr h LYS 61 N 0.00 0.00 -6.97 1.64 1.57 -1.55 -3.45 116.57 107.81 3jpr h LYS 61 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 3jpr h LYS 61 Cb 0.03 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.38 3jpr h LYS 61 CO 0.00 0.67 0.45 -0.51 -0.57 0.00 0.00 179.45 179.48 3jpr s LEU 62 N -7.09 4.10 0.07 2.94 1.43 -0.42 -4.98 118.68 114.74 3jpr s LEU 62 Ca 0.00 2.16 -0.31 0.00 -1.03 0.00 0.00 54.13 54.96 3jpr s LEU 62 Cb 0.11 -4.18 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 3jpr s LEU 62 CO 0.76 -0.65 1.23 -2.16 0.23 0.00 0.00 176.35 175.75 3jpr s PRO 63 N -2.54 4.42 0.00 1.29 0.04 -1.26 -2.92 135.00 134.02 3jpr s PRO 63 Ca 0.60 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3jpr s PRO 63 Cb -0.25 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3jpr s PRO 63 CO 0.31 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.48 3jpr n GLY 64 N 3.24 2.59 3.54 0.56 0.00 -1.26 -4.86 105.19 109.00 3jpr n GLY 64 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3jpr n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpr s VAL 65 N -2.31 5.13 0.00 1.61 1.01 -1.15 -4.41 120.40 120.27 3jpr s VAL 65 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3jpr s VAL 65 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 3jpr s VAL 65 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3jpr n GLY 66 N 5.05 2.85 0.20 4.51 0.00 -1.26 -4.60 105.19 111.94 3jpr n GLY 66 Ca -0.14 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 3jpr n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jpr h THR 67 N 0.00 1.33 -0.12 2.61 2.02 -1.97 -2.59 112.91 114.19 3jpr h THR 67 Ca 0.00 -2.07 -0.04 0.00 0.77 0.00 0.00 66.41 65.07 3jpr h THR 67 Cb 0.00 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3jpr h THR 67 CO 0.00 0.64 -0.09 0.11 0.37 0.00 0.00 175.52 176.55 3jpr h LYS 68 N 0.40 0.27 0.00 6.66 1.79 -2.00 -2.18 116.57 121.52 3jpr h LYS 68 Ca -0.04 -0.13 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 3jpr h LYS 68 Cb 1.36 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 3jpr h LYS 68 CO 0.14 0.65 -0.34 0.82 -1.08 0.00 0.00 179.45 179.64 3jpr h ILE 69 N -0.11 1.11 -0.39 1.86 2.04 -1.96 -2.21 117.51 117.85 3jpr h ILE 69 Ca 0.02 -1.24 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 3jpr h ILE 69 Cb 0.58 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3jpr h ILE 69 CO 0.02 0.34 0.10 0.00 0.00 0.00 0.00 178.15 178.61 3jpr h ALA 70 N 1.66 0.52 -0.55 1.87 0.00 -1.33 -0.14 119.26 121.29 3jpr h ALA 70 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3jpr h ALA 70 Cb 0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3jpr h ALA 70 CO 0.04 0.19 0.24 0.93 0.00 0.00 0.00 179.25 180.66 3jpr h GLU 71 N 0.49 0.80 -0.66 0.00 5.08 -0.99 -1.96 114.58 117.35 3jpr h GLU 71 Ca 0.12 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jpr h GLU 71 Cb 0.30 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3jpr h GLU 71 CO 0.00 0.68 0.43 0.87 -1.00 0.00 0.00 179.01 179.98 3jpr h LYS 72 N 0.74 0.87 -0.44 2.33 1.57 -1.16 -1.06 116.57 119.41 3jpr h LYS 72 Ca 0.19 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3jpr h LYS 72 Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3jpr h LYS 72 CO -0.02 0.59 0.16 0.82 -0.57 0.00 0.00 179.45 180.43 3jpr h ILE 73 N 0.89 1.18 -0.38 1.86 2.04 -0.72 0.13 117.51 122.50 3jpr h ILE 73 Ca 0.24 -0.57 -0.14 0.00 1.00 0.00 0.00 64.86 65.39 3jpr h ILE 73 Cb -0.09 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3jpr h ILE 73 CO -0.05 0.22 -0.32 0.44 0.00 0.00 0.00 178.15 178.43 3jpr h ASP 74 N 0.63 0.95 -0.20 1.72 3.32 -0.69 -1.45 116.42 120.70 3jpr h ASP 74 Ca 0.15 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.74 3jpr h ASP 74 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3jpr h ASP 74 CO -0.01 1.20 0.08 -0.08 -1.72 0.00 0.00 179.24 178.71 3jpr h GLU 75 N 0.71 0.30 -0.63 3.56 4.81 -0.47 -1.80 114.58 121.06 3jpr h GLU 75 Ca 0.07 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3jpr h GLU 75 Cb 0.91 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 3jpr h GLU 75 CO 0.08 0.35 0.38 0.35 -0.73 0.00 0.00 179.01 179.45 3jpr h PHE 76 N 0.17 0.71 -0.52 0.92 3.57 -0.71 -0.23 116.94 120.85 3jpr h PHE 76 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3jpr h PHE 76 Cb 0.16 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3jpr h PHE 76 CO -0.01 0.39 0.12 -0.07 -2.23 0.00 0.00 178.31 176.51 3jpr h LEU 77 N 0.74 0.73 0.25 0.59 3.38 -1.09 0.38 115.31 120.30 3jpr h LEU 77 Ca 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3jpr h LEU 77 Cb 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3jpr h LEU 77 CO -0.12 0.72 -0.12 0.00 0.09 0.00 0.00 178.44 179.01 3jpr h ALA 78 N 1.38 -0.34 0.00 1.53 0.00 -0.81 -3.39 119.26 117.63 3jpr h ALA 78 Ca 0.17 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 3jpr h ALA 78 Cb 0.28 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3jpr h ALA 78 CO -0.00 -0.31 -1.18 1.79 0.00 0.00 0.00 179.25 179.54 3jpr h THR 79 N -1.09 1.20 0.00 0.00 1.35 -1.13 -3.48 112.91 109.76 3jpr h THR 79 Ca -0.03 -2.88 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 3jpr h THR 79 Cb 0.26 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3jpr h THR 79 CO 0.06 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 3jpr n GLY 80 N 1.40 0.87 3.82 5.82 0.00 0.13 -5.03 105.19 112.20 3jpr n GLY 80 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 3jpr n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jpr s LYS 81 N -0.75 2.11 -0.11 1.61 -2.85 -1.23 -5.00 119.74 113.51 3jpr s LYS 81 Ca 0.00 -1.35 0.01 0.00 -1.00 0.00 0.00 55.97 53.64 3jpr s LYS 81 Cb 0.00 0.60 0.02 0.00 -2.06 0.00 0.00 37.83 36.38 3jpr s LYS 81 CO 0.00 -0.99 -0.15 -1.17 0.10 0.00 0.00 175.35 173.15 3jpr s LEU 82 N -3.10 1.71 0.17 2.77 2.96 -1.26 -3.55 118.68 118.38 3jpr s LEU 82 Ca 0.16 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 3jpr s LEU 82 Cb -0.05 -1.10 0.05 0.00 0.50 0.00 0.00 46.19 45.59 3jpr s LEU 82 CO 0.10 0.00 1.83 0.03 -1.32 0.00 0.00 176.35 177.00 3jpr h ARG 83 N 7.52 0.65 -1.00 1.98 3.08 -1.99 -0.75 114.38 123.86 3jpr h ARG 83 Ca -0.32 -0.04 0.18 0.00 0.07 0.00 0.00 59.98 59.87 3jpr h ARG 83 Cb 1.17 -0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.97 3jpr h ARG 83 CO 0.49 0.43 0.62 -0.22 -1.07 0.00 0.00 179.97 180.22 3jpr h LYS 84 N 0.66 0.78 0.03 0.04 3.64 -2.00 -0.06 116.57 119.66 3jpr h LYS 84 Ca 0.18 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.27 3jpr h LYS 84 Cb -0.07 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3jpr h LYS 84 CO -0.04 0.52 -1.02 -0.07 -2.27 0.00 0.00 179.45 176.57 3jpr h LEU 85 N 0.80 0.60 -0.97 5.20 3.38 -1.87 -2.67 115.31 119.79 3jpr h LEU 85 Ca 0.57 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3jpr h LEU 85 Cb 0.84 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3jpr h LEU 85 CO -0.37 1.31 0.61 -0.33 0.09 0.00 0.00 178.44 179.76 3jpr h GLU 86 N 0.24 1.01 -0.08 1.13 4.39 0.44 -1.20 114.58 120.51 3jpr h GLU 86 Ca -0.10 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 3jpr h GLU 86 Cb 1.67 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 3jpr h GLU 86 CO 0.18 0.67 -0.30 -0.22 -1.16 0.00 0.00 179.01 178.18 3jpr h LYS 87 N 1.04 0.35 -0.97 2.33 3.64 -1.29 -3.20 116.57 118.46 3jpr h LYS 87 Ca 0.45 -0.26 0.13 0.00 -1.27 0.00 0.00 60.65 59.69 3jpr h LYS 87 Cb 0.31 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 3jpr h LYS 87 CO -0.22 0.89 0.62 0.82 -2.27 0.00 0.00 179.45 179.29 3jpr h ILE 88 N -0.13 0.90 0.00 2.00 2.04 -1.06 0.10 117.51 121.36 3jpr h ILE 88 Ca -0.01 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3jpr h ILE 88 Cb 0.93 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3jpr h ILE 88 CO 0.06 0.17 0.00 0.03 0.00 0.00 0.00 178.15 178.41 3jpr h ARG 89 N 0.92 0.00 0.00 2.37 3.08 -1.26 -2.84 114.38 116.64 3jpr h ARG 89 Ca 0.49 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.34 3jpr h ARG 89 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 3jpr h ARG 89 CO -0.25 0.00 -1.60 1.04 -1.07 0.00 0.00 179.97 178.08 3jpr n GLN 90 N -2.53 0.63 -2.04 0.04 6.02 0.28 -4.81 117.38 114.97 3jpr n GLN 90 Ca 0.02 0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.75 3jpr n GLN 90 Cb 0.27 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 3jpr n GLN 90 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3jpr s ASP 91 N -5.68 5.94 0.30 1.08 2.15 -0.71 -4.87 116.67 114.88 3jpr s ASP 91 Ca -0.04 1.24 0.01 0.00 0.43 0.00 0.00 52.55 54.19 3jpr s ASP 91 Cb 0.09 -2.53 0.54 0.00 -0.30 0.00 0.00 42.92 40.72 3jpr s ASP 91 CO 0.82 -1.68 1.90 0.44 -0.17 0.00 0.00 175.17 176.48 3jpr h ASP 92 N 12.64 0.91 -0.38 -0.34 3.32 -1.87 -0.95 116.42 129.74 3jpr h ASP 92 Ca -0.33 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3jpr h ASP 92 Cb 1.16 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3jpr h ASP 92 CO 1.04 0.57 0.14 0.74 -1.72 0.00 0.00 179.24 180.01 3jpr h THR 93 N 1.02 1.20 -0.47 0.35 2.02 -1.94 0.14 112.91 115.23 3jpr h THR 93 Ca 0.41 -0.62 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 3jpr h THR 93 Cb 0.25 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3jpr h THR 93 CO -0.16 0.22 -0.00 0.28 0.37 0.00 0.00 175.52 176.23 3jpr h SER 94 N 0.47 0.74 -0.35 4.18 0.02 -1.73 -0.47 113.55 116.41 3jpr h SER 94 Ca 0.13 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 3jpr h SER 94 Cb 0.21 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3jpr h SER 94 CO -0.01 0.81 -0.19 0.28 -1.14 0.00 0.00 176.83 176.58 3jpr h SER 95 N 0.72 0.77 -0.27 3.07 0.02 -0.86 -1.06 113.55 115.95 3jpr h SER 95 Ca 0.14 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3jpr h SER 95 Cb 0.44 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3jpr h SER 95 CO 0.02 1.02 0.10 0.28 -1.14 0.00 0.00 176.83 177.11 3jpr h SER 96 N 0.53 0.38 -0.70 3.07 0.02 -0.47 -1.05 113.55 115.33 3jpr h SER 96 Ca 0.08 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 3jpr h SER 96 Cb 0.74 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3jpr h SER 96 CO 0.06 0.45 0.29 0.40 -1.14 0.00 0.00 176.83 176.89 3jpr h ILE 97 N 0.28 1.24 -0.46 3.27 2.04 -1.05 -1.25 117.51 121.59 3jpr h ILE 97 Ca 0.09 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3jpr h ILE 97 Cb 0.20 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3jpr h ILE 97 CO -0.01 0.30 0.19 0.78 0.00 0.00 0.00 178.15 179.41 3jpr h ASN 98 N 0.99 0.63 0.96 1.72 2.35 -1.03 -2.34 115.58 118.87 3jpr h ASN 98 Ca 0.23 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3jpr h ASN 98 Cb 0.19 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.41 3jpr h ASN 98 CO -0.02 0.62 -0.46 0.15 -1.65 0.00 0.00 177.43 176.07 3jpr h PHE 99 N 0.60 -1.19 -0.91 1.19 3.57 -0.87 -3.08 116.94 116.24 3jpr h PHE 99 Ca 0.15 -0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.84 3jpr h PHE 99 Cb 0.19 0.40 -0.12 0.00 2.79 0.00 0.00 35.95 39.20 3jpr h PHE 99 CO 0.00 -0.74 0.42 -0.07 -2.23 0.00 0.00 178.31 175.69 3jpr h LEU 100 N -1.30 0.38 -0.29 0.59 3.38 -1.23 0.30 115.31 117.14 3jpr h LEU 100 Ca -0.13 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3jpr h LEU 100 Cb 0.99 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3jpr h LEU 100 CO 0.22 0.02 0.00 0.35 0.09 0.00 0.00 178.44 179.12 3jpr n THR 101 N -5.02 1.77 0.89 0.22 -2.24 -0.88 -1.22 114.28 107.80 3jpr n THR 101 Ca 0.22 0.54 0.13 0.00 -2.27 0.00 0.00 64.05 62.68 3jpr n THR 101 Cb 0.65 -1.53 0.56 0.00 -2.10 0.00 0.00 70.33 67.91 3jpr n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jpr n ARG 102 N -1.66 0.06 -2.93 -0.78 1.74 0.11 -4.70 116.66 108.50 3jpr n ARG 102 Ca -0.00 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 3jpr n ARG 102 Cb 0.01 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 3jpr n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jpr s VAL 103 N -3.03 4.95 0.16 1.55 1.01 -0.35 -4.99 120.40 119.70 3jpr s VAL 103 Ca 0.13 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 63.46 3jpr s VAL 103 Cb 0.17 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3jpr s VAL 103 CO 0.53 0.24 1.68 -0.55 0.00 0.00 0.00 175.10 177.00 3jpr s SER 104 N 0.76 6.49 0.00 3.32 0.15 -1.26 -1.83 113.70 121.32 3jpr s SER 104 Ca 0.42 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.78 3jpr s SER 104 Cb -0.19 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3jpr s SER 104 CO 0.22 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.35 3jpr n GLY 105 N 3.96 2.93 3.43 9.45 0.00 -1.26 -3.92 105.19 119.77 3jpr n GLY 105 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3jpr n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpr s ILE 106 N -2.73 4.93 0.21 -0.61 1.01 -0.76 -4.71 121.20 118.54 3jpr s ILE 106 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.97 3jpr s ILE 106 Cb 0.00 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.78 3jpr s ILE 106 CO 0.00 -0.24 0.29 0.61 0.00 0.00 0.00 174.94 175.59 3jpr n GLY 107 N 5.08 1.81 0.30 6.18 0.00 -1.26 -4.33 105.19 112.97 3jpr n GLY 107 Ca -0.12 -2.14 0.08 0.00 0.00 0.00 0.00 46.02 43.84 3jpr n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jpr h PRO 108 N 0.00 0.54 0.45 1.61 0.11 -1.87 0.09 132.00 132.93 3jpr h PRO 108 Ca -0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 3jpr h PRO 108 Cb 0.43 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3jpr h PRO 108 CO 0.13 0.36 -0.22 1.03 -0.21 0.00 0.00 178.00 179.09 3jpr h SER 109 N 0.56 -0.51 -0.68 -2.05 0.87 -1.95 -2.20 113.55 107.59 3jpr h SER 109 Ca 0.47 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.96 3jpr h SER 109 Cb 0.70 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 3jpr h SER 109 CO -0.39 -0.14 0.45 0.00 -0.53 0.00 0.00 176.83 176.21 3jpr h ALA 110 N -0.59 1.60 0.17 6.23 0.00 -1.89 -1.33 119.26 123.44 3jpr h ALA 110 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3jpr h ALA 110 Cb 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3jpr h ALA 110 CO 0.10 0.34 -0.08 0.00 0.00 0.00 0.00 179.25 179.61 3jpr h ALA 111 N 1.60 -0.23 -0.66 0.00 0.00 -0.95 0.83 119.26 119.85 3jpr h ALA 111 Ca 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3jpr h ALA 111 Cb 0.03 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3jpr h ALA 111 CO -0.07 -0.59 0.44 -0.09 0.00 0.00 0.00 179.25 178.94 3jpr h ARG 112 N -0.30 0.87 -0.34 0.00 2.43 -0.92 -1.44 114.38 114.67 3jpr h ARG 112 Ca -0.02 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 3jpr h ARG 112 Cb 0.23 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3jpr h ARG 112 CO 0.04 0.57 -0.29 -0.22 -1.51 0.00 0.00 179.97 178.56 3jpr h LYS 113 N 0.89 0.80 -0.88 0.20 3.64 -0.94 -1.74 116.57 118.53 3jpr h LYS 113 Ca 0.24 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3jpr h LYS 113 Cb -0.10 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3jpr h LYS 113 CO -0.05 1.03 0.48 0.74 -2.27 0.00 0.00 179.45 179.38 3jpr h PHE 114 N 0.58 1.21 -0.32 1.91 0.04 -0.28 -1.97 116.94 118.11 3jpr h PHE 114 Ca 0.06 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3jpr h PHE 114 Cb 0.86 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3jpr h PHE 114 CO 0.07 0.84 0.16 0.28 -0.60 0.00 0.00 178.31 179.06 3jpr h VAL 115 N 1.24 1.15 -0.77 -0.55 2.07 -1.13 0.29 116.25 118.54 3jpr h VAL 115 Ca 0.31 -0.41 0.15 0.00 0.82 0.00 0.00 66.70 67.57 3jpr h VAL 115 Cb 0.03 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3jpr h VAL 115 CO -0.05 0.15 0.52 0.44 0.02 0.00 0.00 177.57 178.65 3jpr h ASP 116 N 0.38 0.41 0.26 0.57 3.32 -0.80 0.25 116.42 120.81 3jpr h ASP 116 Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3jpr h ASP 116 Cb 0.10 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3jpr h ASP 116 CO -0.02 0.21 -0.06 -0.62 -1.72 0.00 0.00 179.24 177.04 3jpr n GLU 117 N -4.49 0.85 -0.46 3.56 1.02 -0.71 -4.89 120.64 115.52 3jpr n GLU 117 Ca 0.15 -0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3jpr n GLU 117 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 3jpr n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jpr n GLY 118 N 1.20 0.74 3.44 0.62 0.00 0.87 -5.01 105.19 107.05 3jpr n GLY 118 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3jpr n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpr s ILE 119 N -2.68 4.47 0.00 -0.61 1.01 0.94 -4.80 121.20 119.53 3jpr s ILE 119 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3jpr s ILE 119 Cb 0.00 -4.65 0.00 0.00 0.01 0.00 0.00 42.46 37.82 3jpr s ILE 119 CO 0.00 -1.39 0.00 0.29 0.00 0.00 0.00 174.94 173.84 3jpr n LYS 120 N 7.30 3.36 -4.70 2.79 5.02 -1.26 -3.11 118.16 127.57 3jpr n LYS 120 Ca -0.02 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 3jpr n LYS 120 Cb 0.45 -0.64 -0.07 0.00 -0.02 0.00 0.00 35.03 34.75 3jpr n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3jpr s THR 121 N -1.16 0.92 0.14 -0.18 -4.23 -1.26 -4.79 115.64 105.09 3jpr s THR 121 Ca 0.00 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.36 3jpr s THR 121 Cb 0.00 -2.15 0.02 0.00 1.34 0.00 0.00 72.50 71.70 3jpr s THR 121 CO 0.00 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.01 3jpr h LEU 122 N 1.44 0.65 -0.35 4.79 5.85 -1.99 -1.63 115.31 124.06 3jpr h LEU 122 Ca -0.41 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3jpr h LEU 122 Cb 1.31 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3jpr h LEU 122 CO 0.68 0.65 0.23 -0.33 -0.34 0.00 0.00 178.44 179.34 3jpr h GLU 123 N 0.60 0.47 -0.05 1.25 5.08 -1.99 -1.57 114.58 118.37 3jpr h GLU 123 Ca 0.15 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3jpr h GLU 123 Cb 0.22 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3jpr h GLU 123 CO -0.01 0.32 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.64 3jpr h ASP 124 N 0.48 -0.72 -0.62 1.42 3.32 -1.87 -1.75 116.42 116.69 3jpr h ASP 124 Ca 0.13 0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.37 3jpr h ASP 124 Cb -0.04 0.31 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 3jpr h ASP 124 CO -0.03 -0.30 0.27 -0.07 -1.72 0.00 0.00 179.24 177.40 3jpr h LEU 125 N -0.34 0.34 -1.17 1.55 3.38 -1.08 -1.95 115.31 116.03 3jpr h LEU 125 Ca 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3jpr h LEU 125 Cb 0.45 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3jpr h LEU 125 CO -0.25 0.21 0.38 0.03 0.09 0.00 0.00 178.44 178.89 3jpr h ARG 126 N 0.49 0.95 -0.03 1.13 3.08 -0.76 -1.63 114.38 117.62 3jpr h ARG 126 Ca 0.30 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3jpr h ARG 126 Cb 0.31 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3jpr h ARG 126 CO -0.26 0.70 0.00 0.36 -1.07 0.00 0.00 179.97 179.70 3jpr n LYS 127 N -4.37 1.46 -0.97 0.04 2.85 -0.71 -3.81 118.16 112.66 3jpr n LYS 127 Ca 0.07 -0.67 0.02 0.00 -1.05 0.00 0.00 58.31 56.68 3jpr n LYS 127 Cb 0.10 -1.46 0.15 0.00 -0.65 0.00 0.00 35.03 33.17 3jpr n LYS 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3jpr n ASN 128 N -0.17 1.94 -0.29 -5.58 3.02 -0.63 -4.83 115.26 108.72 3jpr n ASN 128 Ca 0.19 -3.52 0.25 0.00 -0.03 0.00 0.00 54.58 51.47 3jpr n ASN 128 Cb 0.27 -0.47 0.57 0.00 -0.61 0.00 0.00 39.78 39.54 3jpr n ASN 128 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3jpr h GLU 129 N 1.17 0.28 -0.22 3.52 5.08 -1.61 0.17 114.58 122.97 3jpr h GLU 129 Ca -0.00 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3jpr h GLU 129 Cb 1.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3jpr h GLU 129 CO 0.11 0.18 0.20 0.38 -1.00 0.00 0.00 179.01 178.88 3jpr h ASP 130 N 0.29 0.00 -0.33 1.42 2.03 -1.90 -0.84 116.42 117.09 3jpr h ASP 130 Ca 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.84 3jpr h ASP 130 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 3jpr h ASP 130 CO -0.19 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.31 3jpr n LYS 131 N -4.07 2.51 -5.23 4.15 5.02 0.58 -4.88 118.16 116.24 3jpr n LYS 131 Ca 0.02 -1.49 -0.31 0.00 -2.02 0.00 0.00 58.31 54.51 3jpr n LYS 131 Cb 0.33 -1.64 -0.16 0.00 -0.02 0.00 0.00 35.03 33.55 3jpr n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jpr s LEU 132 N -1.23 2.17 0.00 -0.35 1.43 -0.32 -5.12 118.68 115.26 3jpr s LEU 132 Ca 0.27 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.78 3jpr s LEU 132 Cb 0.18 -1.38 0.22 0.00 0.03 0.00 0.00 46.19 45.23 3jpr s LEU 132 CO 0.12 0.31 0.89 -0.46 0.23 0.00 0.00 176.35 177.44 3jpr n ASN 133 N 2.54 -1.36 0.07 2.29 0.23 -1.26 -4.72 115.26 113.05 3jpr n ASN 133 Ca -0.16 -1.11 -0.12 0.00 -0.53 0.00 0.00 54.58 52.66 3jpr n ASN 133 Cb 0.51 -0.78 -0.07 0.00 -2.08 0.00 0.00 39.78 37.37 3jpr n ASN 133 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 3jpr h HIS 134 N -2.24 -0.11 -0.22 -2.53 -0.00 -1.97 -2.17 115.15 105.91 3jpr h HIS 134 Ca -0.32 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.10 3jpr h HIS 134 Cb 0.96 0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 28.36 3jpr h HIS 134 CO 0.00 -0.07 -0.09 1.25 -0.00 0.00 0.00 177.93 179.02 3jpr h HIS 135 N -0.10 -0.21 -0.99 5.26 -0.00 -1.89 -1.97 115.15 115.25 3jpr h HIS 135 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3jpr h HIS 135 Cb 0.10 0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.58 3jpr h HIS 135 CO -0.09 -0.14 0.65 1.96 -0.00 0.00 0.00 177.93 180.31 3jpr h GLN 136 N -0.05 1.25 -0.40 5.26 4.20 -1.66 0.49 115.11 124.19 3jpr h GLN 136 Ca 0.11 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.80 3jpr h GLN 136 Cb 0.22 -0.28 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 3jpr h GLN 136 CO -0.25 0.82 0.14 -0.09 -0.67 0.00 0.00 178.83 178.78 3jpr h ARG 137 N 1.28 0.29 -0.09 1.46 2.43 -0.71 0.51 114.38 119.55 3jpr h ARG 137 Ca 0.38 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.36 3jpr h ARG 137 Cb -0.06 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3jpr h ARG 137 CO -0.11 0.19 -0.68 0.82 -1.51 0.00 0.00 179.97 178.68 3jpr h ILE 138 N 0.30 1.37 -0.97 1.20 1.08 -0.73 -1.44 117.51 118.32 3jpr h ILE 138 Ca 0.18 -2.06 0.00 0.00 -0.39 0.00 0.00 64.86 62.59 3jpr h ILE 138 Cb 0.17 2.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.91 3jpr h ILE 138 CO -0.19 0.62 0.61 1.23 -0.69 0.00 0.00 178.15 179.73 3jpr h GLY 139 N 1.28 1.39 0.82 5.37 0.00 -0.25 -1.66 103.07 110.02 3jpr h GLY 139 Ca -0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 3jpr h GLY 139 CO 0.12 0.54 -0.20 -2.00 0.00 0.00 0.00 176.54 175.00 3jpr h LEU 140 N 1.33 0.51 -0.44 3.11 5.85 -0.80 -1.28 115.31 123.59 3jpr h LEU 140 Ca 0.35 -0.48 0.09 0.00 0.84 0.00 0.00 57.88 58.68 3jpr h LEU 140 Cb -0.10 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 40.70 3jpr h LEU 140 CO -0.07 0.89 -0.22 0.50 -0.34 0.00 0.00 178.44 179.20 3jpr h LYS 141 N 0.14 -0.13 -0.79 1.25 3.64 -0.79 -1.53 116.57 118.37 3jpr h LYS 141 Ca 0.03 0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.09 3jpr h LYS 141 Cb 0.75 0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 32.40 3jpr h LYS 141 CO 0.05 -0.08 0.39 0.66 -2.27 0.00 0.00 179.45 178.19 3jpr n TYR 142 N -5.39 2.52 -0.27 1.91 4.01 -0.67 -4.71 117.16 114.56 3jpr n TYR 142 Ca 0.03 -1.51 0.08 0.00 -0.16 0.00 0.00 57.90 56.34 3jpr n TYR 142 Cb 0.30 -0.77 0.22 0.00 -0.31 0.00 0.00 39.34 38.79 3jpr n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3jpr h PHE 143 N 1.76 0.29 0.44 -0.72 3.57 -0.14 -1.18 116.94 120.96 3jpr h PHE 143 Ca 0.41 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.93 3jpr h PHE 143 Cb 2.46 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 41.20 3jpr h PHE 143 CO 1.37 -0.13 -0.21 0.78 -2.23 0.00 0.00 178.31 177.89 3jpr h GLY 144 N 0.25 -0.61 0.30 2.40 0.00 -1.84 -3.30 103.07 100.27 3jpr h GLY 144 Ca 0.46 0.23 0.10 0.00 0.00 0.00 0.00 47.33 48.12 3jpr h GLY 144 CO -0.57 -0.22 0.16 -0.55 0.00 0.00 0.00 176.54 175.36 3jpr h ASP 145 N -0.91 0.08 0.00 0.19 3.32 -1.77 -2.00 116.42 115.33 3jpr h ASP 145 Ca -0.06 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3jpr h ASP 145 Cb 0.57 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3jpr h ASP 145 CO 0.10 0.06 0.10 0.49 -1.72 0.00 0.00 179.24 178.27 3jpr n PHE 146 N -5.08 0.65 1.09 4.55 3.01 -0.48 0.05 117.46 121.24 3jpr n PHE 146 Ca 0.08 0.34 0.12 0.00 1.01 0.00 0.00 57.45 59.00 3jpr n PHE 146 Cb 0.29 -0.98 0.13 0.00 -0.01 0.00 0.00 39.48 38.91 3jpr n PHE 146 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3jpr n GLU 147 N -2.20 1.31 -2.96 -1.08 1.02 -0.75 -4.91 120.64 111.07 3jpr n GLU 147 Ca -0.01 -1.01 -0.34 0.00 -0.02 0.00 0.00 57.16 55.78 3jpr n GLU 147 Cb 0.13 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.00 3jpr n GLU 147 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3jpr s LYS 148 N -2.39 4.22 0.53 3.49 1.02 0.11 -5.06 119.74 121.65 3jpr s LYS 148 Ca 0.22 0.97 -0.07 0.00 0.02 0.00 0.00 55.97 57.12 3jpr s LYS 148 Cb 0.19 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3jpr s LYS 148 CO 0.51 0.15 0.86 1.03 -0.92 0.00 0.00 175.35 176.97 3jpr s ARG 149 N -2.75 3.48 -0.23 1.68 1.81 -1.26 -4.91 118.95 116.78 3jpr s ARG 149 Ca 0.55 0.31 -0.02 0.00 -1.72 0.00 0.00 55.73 54.85 3jpr s ARG 149 Cb -0.12 -2.29 0.01 0.00 -0.45 0.00 0.00 34.95 32.10 3jpr s ARG 149 CO 0.17 -0.35 -0.07 0.42 -0.68 0.00 0.00 175.30 174.79 3jpr s ILE 150 N -2.88 3.01 0.52 1.52 1.01 0.38 -4.95 121.20 119.80 3jpr s ILE 150 Ca 0.50 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 3jpr s ILE 150 Cb -0.10 -2.43 -0.06 0.00 0.01 0.00 0.00 42.46 39.88 3jpr s ILE 150 CO 0.47 0.34 1.26 -2.84 0.00 0.00 0.00 174.94 174.17 3jpr s PRO 151 N 1.39 3.36 0.37 2.79 0.02 -1.26 -0.39 135.00 141.27 3jpr s PRO 151 Ca 0.03 2.00 0.09 0.00 0.02 0.00 0.00 61.00 63.15 3jpr s PRO 151 Cb -0.15 -2.27 0.83 0.00 0.02 0.00 0.00 34.50 32.93 3jpr s PRO 151 CO -0.05 -0.95 1.90 -0.09 -0.33 0.00 0.00 177.00 177.49 3jpr h ARG 152 N 1.61 0.65 -0.75 5.54 2.43 -1.54 -0.02 114.38 122.30 3jpr h ARG 152 Ca -0.50 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.70 3jpr h ARG 152 Cb 1.28 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 3jpr h ARG 152 CO 0.58 0.43 0.43 1.49 -1.51 0.00 0.00 179.97 181.39 3jpr h GLU 153 N 0.67 0.74 -0.20 0.20 4.81 -1.90 0.19 114.58 119.09 3jpr h GLU 153 Ca 0.40 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.45 3jpr h GLU 153 Cb 0.61 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3jpr h GLU 153 CO -0.16 0.49 -0.45 0.93 -0.73 0.00 0.00 179.01 179.08 3jpr h GLU 154 N 0.76 0.49 -0.77 1.92 5.08 -1.39 -2.53 114.58 118.15 3jpr h GLU 154 Ca 0.35 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3jpr h GLU 154 Cb 0.25 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 3jpr h GLU 154 CO -0.21 0.85 0.43 0.52 -1.00 0.00 0.00 179.01 179.60 3jpr h MET 155 N 0.40 1.06 -0.44 2.33 2.86 -0.30 -0.16 114.93 120.67 3jpr h MET 155 Ca 0.03 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3jpr h MET 155 Cb 0.95 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 3jpr h MET 155 CO 0.08 0.77 0.15 -0.07 1.06 0.00 0.00 176.91 178.91 3jpr h LEU 156 N 1.07 0.63 -0.73 1.22 3.38 -0.31 0.31 115.31 120.88 3jpr h LEU 156 Ca 0.27 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3jpr h LEU 156 Cb 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3jpr h LEU 156 CO -0.05 0.65 0.17 1.56 0.09 0.00 0.00 178.44 180.87 3jpr h GLN 157 N 0.57 1.14 -0.41 1.13 4.20 -1.04 -1.51 115.11 119.19 3jpr h GLN 157 Ca 0.14 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 3jpr h GLN 157 Cb 0.24 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3jpr h GLN 157 CO -0.01 1.00 0.04 0.52 -0.67 0.00 0.00 178.83 179.72 3jpr h MET 158 N 1.08 0.69 -0.39 1.46 2.86 -0.70 -2.21 114.93 117.72 3jpr h MET 158 Ca 0.22 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3jpr h MET 158 Cb 0.37 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 3jpr h MET 158 CO 0.00 0.75 0.11 0.37 1.06 0.00 0.00 176.91 179.20 3jpr h GLN 159 N 0.53 0.24 -0.35 1.72 4.15 -0.12 -0.76 115.11 120.53 3jpr h GLN 159 Ca 0.12 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.55 3jpr h GLN 159 Cb 0.41 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3jpr h GLN 159 CO 0.01 0.16 0.19 0.22 -1.93 0.00 0.00 178.83 177.48 3jpr h ASP 160 N 0.25 0.31 0.06 -0.69 1.82 -1.08 0.36 116.42 117.44 3jpr h ASP 160 Ca 0.18 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 3jpr h ASP 160 Cb 0.19 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.15 3jpr h ASP 160 CO -0.21 0.22 -0.03 0.40 -1.61 0.00 0.00 179.24 178.01 3jpr h ILE 161 N 0.40 1.01 -0.33 2.25 2.04 -1.06 -1.64 117.51 120.18 3jpr h ILE 161 Ca 0.14 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3jpr h ILE 161 Cb 0.02 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3jpr h ILE 161 CO -0.08 0.05 0.19 0.58 0.00 0.00 0.00 178.15 178.90 3jpr h VAL 162 N -0.16 1.04 -0.28 1.67 2.07 -0.88 -0.70 116.25 119.02 3jpr h VAL 162 Ca -0.01 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3jpr h VAL 162 Cb 0.14 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3jpr h VAL 162 CO 0.01 0.07 0.10 -0.07 0.02 0.00 0.00 177.57 177.71 3jpr h LEU 163 N 0.40 0.39 -0.96 2.57 4.07 -0.86 -1.37 115.31 119.55 3jpr h LEU 163 Ca 0.13 -0.18 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 3jpr h LEU 163 Cb -0.01 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 3jpr h LEU 163 CO -0.05 0.46 -0.07 0.78 -1.08 0.00 0.00 178.44 178.48 3jpr h ASN 164 N 0.29 0.66 -0.27 -0.43 2.35 -1.21 0.71 115.58 117.68 3jpr h ASN 164 Ca 0.09 -0.17 -0.18 0.00 -0.55 0.00 0.00 56.30 55.49 3jpr h ASN 164 Cb 0.20 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3jpr h ASN 164 CO -0.01 0.77 -0.51 -0.33 -1.65 0.00 0.00 177.43 175.70 3jpr h GLU 165 N 0.63 0.85 -0.61 0.81 4.39 -1.03 -1.77 114.58 117.86 3jpr h GLU 165 Ca 0.12 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.21 3jpr h GLU 165 Cb 0.50 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3jpr h GLU 165 CO 0.03 1.15 0.03 0.28 -1.16 0.00 0.00 179.01 179.34 3jpr h VAL 166 N 0.66 1.26 -0.34 3.13 2.07 -1.00 -2.03 116.25 120.00 3jpr h VAL 166 Ca 0.02 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3jpr h VAL 166 Cb 1.11 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3jpr h VAL 166 CO 0.11 0.40 0.17 0.50 0.02 0.00 0.00 177.57 178.77 3jpr h LYS 167 N 0.96 0.47 -0.08 1.57 3.64 -0.64 -1.85 116.57 120.63 3jpr h LYS 167 Ca 0.18 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3jpr h LYS 167 Cb 0.51 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3jpr h LYS 167 CO 0.02 0.36 -0.50 0.87 -2.27 0.00 0.00 179.45 177.93 3jpr h LYS 168 N 0.47 0.22 0.28 1.90 1.57 -0.61 -3.00 116.57 117.40 3jpr h LYS 168 Ca 0.12 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3jpr h LYS 168 Cb 0.05 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3jpr h LYS 168 CO -0.02 0.68 -0.13 0.28 -0.57 0.00 0.00 179.45 179.69 3jpr h VAL 169 N 0.18 0.71 -1.77 0.50 2.07 -0.94 -3.45 116.25 113.56 3jpr h VAL 169 Ca 0.01 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3jpr h VAL 169 Cb 0.95 1.07 -0.25 0.00 -1.52 0.00 0.00 31.29 31.54 3jpr h VAL 169 CO 0.08 0.14 -0.34 -0.62 0.02 0.00 0.00 177.57 176.85 3jpr s ASP 170 N -5.17 -0.59 0.30 0.57 -1.08 -0.97 -5.02 116.67 104.71 3jpr s ASP 170 Ca -0.14 0.80 0.12 0.00 -0.52 0.00 0.00 52.55 52.82 3jpr s ASP 170 Cb 0.02 1.68 0.65 0.00 -1.46 0.00 0.00 42.92 43.81 3jpr s ASP 170 CO 0.52 -0.26 1.26 -1.54 0.52 0.00 0.00 175.17 175.66 3jpr n SER 171 N 5.40 0.31 -0.06 -0.34 3.41 -1.13 -0.81 113.62 120.40 3jpr n SER 171 Ca -0.05 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 3jpr n SER 171 Cb 0.50 -0.49 0.37 0.00 -0.26 0.00 0.00 64.21 64.33 3jpr n SER 171 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jpr n GLU 172 N -1.99 0.24 -2.34 4.33 1.02 -1.26 -4.89 120.64 115.75 3jpr n GLU 172 Ca -0.01 -0.12 -0.35 0.00 -0.02 0.00 0.00 57.16 56.66 3jpr n GLU 172 Cb 0.31 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 3jpr n GLU 172 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3jpr s TYR 173 N -2.84 2.79 -0.13 -0.32 2.02 0.01 -4.40 117.35 114.47 3jpr s TYR 173 Ca 0.16 1.55 -0.01 0.00 -0.37 0.00 0.00 57.07 58.40 3jpr s TYR 173 Cb 0.18 -3.24 0.04 0.00 -0.40 0.00 0.00 41.96 38.54 3jpr s TYR 173 CO 0.62 -1.36 -0.03 0.42 -1.57 0.00 0.00 175.55 173.63 3jpr s ILE 174 N -1.80 0.80 -0.18 2.71 1.01 -0.65 -4.89 121.20 118.20 3jpr s ILE 174 Ca 0.70 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 61.00 3jpr s ILE 174 Cb -0.22 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 3jpr s ILE 174 CO 0.26 0.19 -0.02 0.00 0.00 0.00 0.00 174.94 175.36 3jpr s ALA 175 N 1.78 3.00 -0.15 9.38 0.00 -1.26 -1.82 121.76 132.69 3jpr s ALA 175 Ca 0.03 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3jpr s ALA 175 Cb -0.14 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.35 3jpr s ALA 175 CO -0.07 0.03 -0.20 0.99 0.00 0.00 0.00 175.76 176.51 3jpr s THR 176 N 0.69 1.95 -0.27 0.00 2.01 0.48 -4.95 115.64 115.55 3jpr s THR 176 Ca -0.01 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 3jpr s THR 176 Cb -0.14 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.63 3jpr s THR 176 CO 0.02 0.52 1.06 -0.69 -0.69 0.00 0.00 174.62 174.84 3jpr s VAL 177 N 1.10 4.61 0.00 3.82 1.01 -1.26 -0.13 120.40 129.55 3jpr s VAL 177 Ca -0.01 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.88 3jpr s VAL 177 Cb -0.14 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.89 3jpr s VAL 177 CO -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 175.10 174.73 3jpr n GLY 179 N 5.00 0.68 0.29 0.00 0.00 0.02 -2.69 105.19 108.48 3jpr n GLY 179 Ca 0.00 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.36 3jpr n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jpr h SER 180 N 3.31 0.00 0.60 1.61 4.64 -1.88 -2.58 113.55 119.25 3jpr h SER 180 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3jpr h SER 180 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3jpr h SER 180 CO 0.00 0.03 -0.30 0.15 -0.87 0.00 0.00 176.83 175.84 3jpr h PHE 181 N 0.00 -0.78 -0.11 4.77 3.57 -1.84 -0.94 116.94 121.61 3jpr h PHE 181 Ca -0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3jpr h PHE 181 Cb 0.07 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3jpr h PHE 181 CO 0.00 -0.48 0.08 -0.09 -2.23 0.00 0.00 178.31 175.59 3jpr h ARG 182 N -0.83 0.00 0.00 1.11 2.43 -1.25 0.37 114.38 116.21 3jpr h ARG 182 Ca -0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3jpr h ARG 182 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3jpr h ARG 182 CO 0.13 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.13 3jpr n ARG 183 N -4.45 0.95 -1.00 0.20 1.74 -0.80 -4.53 116.66 108.76 3jpr n ARG 183 Ca -0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3jpr n ARG 183 Cb 0.20 -1.25 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 3jpr n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jpr n GLY 184 N 0.67 0.47 3.67 -0.13 0.00 0.13 -3.89 105.19 106.11 3jpr n GLY 184 Ca 0.11 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3jpr n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jpr n ALA 185 N 1.00 0.68 1.42 4.61 0.00 -0.43 -4.90 120.51 122.90 3jpr n ALA 185 Ca -0.00 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.61 3jpr n ALA 185 Cb 0.02 -2.21 0.66 0.00 0.00 0.00 0.00 19.45 17.93 3jpr n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jpr n GLU 186 N -1.27 0.60 -3.57 0.00 -0.58 -1.26 -4.76 120.64 109.80 3jpr n GLU 186 Ca 0.14 -0.15 -0.15 0.00 -0.42 0.00 0.00 57.16 56.58 3jpr n GLU 186 Cb 0.47 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 3jpr n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3jpr s SER 187 N -2.50 -0.65 0.14 1.62 1.04 -1.26 -1.42 113.70 110.68 3jpr s SER 187 Ca 0.29 0.95 0.07 0.00 0.48 0.00 0.00 55.95 57.74 3jpr s SER 187 Cb 0.20 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 67.14 3jpr s SER 187 CO 0.47 -0.43 -0.17 -0.44 0.98 0.00 0.00 173.24 173.65 3jpr s SER 188 N -0.56 2.39 0.26 7.02 0.01 0.47 -4.89 113.70 118.40 3jpr s SER 188 Ca -0.05 -0.84 0.13 0.00 1.31 0.00 0.00 55.95 56.50 3jpr s SER 188 Cb -0.02 -0.12 0.18 0.00 0.21 0.00 0.00 66.02 66.27 3jpr s SER 188 CO 0.05 -0.08 1.49 1.23 0.41 0.00 0.00 173.24 176.34 3jpr h GLY 189 N 3.38 0.00 -0.49 3.44 0.00 -1.91 0.11 103.07 107.60 3jpr h GLY 189 Ca -0.41 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.93 3jpr h GLY 189 CO 0.51 0.00 0.16 2.09 0.00 0.00 0.00 176.54 179.30 3jpr n ASP 190 N -3.42 -0.97 -4.35 0.19 5.75 -1.26 -4.72 116.55 107.77 3jpr n ASP 190 Ca 0.00 -1.63 -0.33 0.00 -0.01 0.00 0.00 54.79 52.82 3jpr n ASP 190 Cb 0.72 1.60 -0.14 0.00 -1.03 0.00 0.00 41.12 42.27 3jpr n ASP 190 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3jpr s MET 191 N -2.04 3.37 -0.21 0.11 -2.45 -0.92 -4.92 119.30 112.24 3jpr s MET 191 Ca 0.08 -0.68 -0.02 0.00 -1.25 0.00 0.00 55.69 53.82 3jpr s MET 191 Cb -0.02 -2.70 0.01 0.00 1.25 0.00 0.00 34.83 33.36 3jpr s MET 191 CO 0.05 0.12 -0.10 -0.51 1.05 0.00 0.00 175.02 175.62 3jpr s ASP 192 N 0.61 3.86 -0.20 1.11 1.01 -1.26 -0.95 116.67 120.85 3jpr s ASP 192 Ca -0.07 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.63 3jpr s ASP 192 Cb -0.15 -1.63 0.00 0.00 1.01 0.00 0.00 42.92 42.15 3jpr s ASP 192 CO 0.03 -0.03 -0.12 -0.69 0.21 0.00 0.00 175.17 174.58 3jpr s VAL 193 N 1.39 2.77 0.01 -1.27 1.01 0.14 -0.29 120.40 124.16 3jpr s VAL 193 Ca 0.05 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 3jpr s VAL 193 Cb -0.14 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 3jpr s VAL 193 CO -0.07 0.48 0.53 -0.22 0.00 0.00 0.00 175.10 175.82 3jpr s LEU 194 N 1.34 4.45 -0.01 3.92 2.96 0.82 -0.53 118.68 131.63 3jpr s LEU 194 Ca 0.04 1.10 0.03 0.00 -0.22 0.00 0.00 54.13 55.08 3jpr s LEU 194 Cb -0.14 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 3jpr s LEU 194 CO -0.07 0.20 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.84 3jpr s LEU 195 N -0.58 2.01 0.06 -0.68 2.96 -0.02 -0.38 118.68 122.06 3jpr s LEU 195 Ca 0.28 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 3jpr s LEU 195 Cb -0.18 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.98 3jpr s LEU 195 CO 0.16 0.12 -0.05 0.42 -1.32 0.00 0.00 176.35 175.68 3jpr s THR 196 N -0.21 0.42 -0.16 3.68 -4.23 -0.75 -1.46 115.64 112.93 3jpr s THR 196 Ca 0.04 -1.63 -0.13 0.00 -1.18 0.00 0.00 61.69 58.79 3jpr s THR 196 Cb -0.04 -1.28 0.04 0.00 1.34 0.00 0.00 72.50 72.56 3jpr s THR 196 CO -0.00 -0.80 0.40 -2.28 -0.54 0.00 0.00 174.62 171.40 3jpr s HIS 197 N -3.13 -0.48 0.50 3.99 2.46 -1.26 -1.64 115.29 115.71 3jpr s HIS 197 Ca 0.03 1.13 0.29 0.00 0.47 0.00 0.00 55.06 56.98 3jpr s HIS 197 Cb 0.02 0.18 1.38 0.00 -0.13 0.00 0.00 32.58 34.03 3jpr s HIS 197 CO -0.05 -0.25 1.84 -1.00 -2.47 0.00 0.00 174.74 172.81 3jpr h PRO 198 N 5.98 0.13 0.00 2.88 0.13 -2.00 0.10 132.00 139.22 3jpr h PRO 198 Ca -0.30 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.80 3jpr h PRO 198 Cb 1.18 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3jpr h PRO 198 CO 0.27 0.08 -0.12 0.77 -0.23 0.00 0.00 178.00 178.77 3jpr h SER 199 N 0.13 0.00 -3.48 1.44 0.02 -1.96 -3.40 113.55 106.31 3jpr h SER 199 Ca 0.50 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.74 3jpr h SER 199 Cb 1.76 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 64.00 3jpr h SER 199 CO -0.08 0.12 -0.50 0.12 -1.14 0.00 0.00 176.83 175.35 3jpr s PHE 200 N -3.98 3.39 0.40 3.45 5.36 0.02 -1.23 117.98 125.39 3jpr s PHE 200 Ca -0.02 -1.76 0.04 0.00 -0.96 0.00 0.00 56.93 54.23 3jpr s PHE 200 Cb 0.12 -2.97 -0.05 0.00 -0.34 0.00 0.00 43.02 39.78 3jpr s PHE 200 CO 0.58 -0.88 0.06 0.95 -1.46 0.00 0.00 175.22 174.47 3jpr s THR 201 N 1.35 1.19 -0.94 0.12 -4.23 -0.70 -1.00 115.64 111.42 3jpr s THR 201 Ca 0.03 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.67 3jpr s THR 201 Cb -0.23 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.11 3jpr s THR 201 CO 0.00 0.00 1.39 -1.54 -0.54 0.00 0.00 174.62 173.93 3jpr n SER 202 N -1.00 0.07 0.04 3.99 3.41 -1.26 -2.34 113.62 116.52 3jpr n SER 202 Ca -0.07 0.52 0.04 0.00 -0.26 0.00 0.00 58.87 59.10 3jpr n SER 202 Cb 0.66 -0.53 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 3jpr n SER 202 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3jpr n GLU 203 N -1.58 0.63 0.00 4.33 4.07 -1.26 -5.04 120.64 121.79 3jpr n GLU 203 Ca 0.02 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 3jpr n GLU 203 Cb 0.13 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.75 3jpr n GLU 203 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3jpr n SER 204 N -2.76 0.00 -4.07 4.31 3.41 -0.99 -5.08 113.62 108.45 3jpr n SER 204 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.18 3jpr n SER 204 Cb 0.75 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.60 3jpr n SER 204 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jpr s THR 205 N -2.00 3.50 -1.57 6.66 2.01 -1.26 -1.72 115.64 121.25 3jpr s THR 205 Ca 0.00 -3.00 0.23 0.00 0.31 0.00 0.00 61.69 59.22 3jpr s THR 205 Cb 0.00 -3.30 0.46 0.00 0.01 0.00 0.00 72.50 69.67 3jpr s THR 205 CO 0.00 -0.86 1.74 0.29 -0.69 0.00 0.00 174.62 175.10 3jpr n LYS 206 N 3.44 0.42 -3.71 4.92 5.02 -0.37 -4.71 118.16 123.18 3jpr n LYS 206 Ca 0.07 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 3jpr n LYS 206 Cb 0.37 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 3jpr n LYS 206 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jpr s GLN 207 N -2.43 0.38 0.52 1.97 -0.21 -1.26 -5.06 119.66 113.58 3jpr s GLN 207 Ca 0.25 0.68 -0.03 0.00 0.02 0.00 0.00 55.36 56.27 3jpr s GLN 207 Cb 0.15 0.04 -0.00 0.00 1.00 0.00 0.00 33.01 34.20 3jpr s GLN 207 CO 0.32 -0.13 0.79 -1.25 -2.12 0.00 0.00 175.29 172.90 3jpr s PRO 208 N 1.01 3.03 -1.90 2.91 0.04 -1.26 -4.34 135.00 134.50 3jpr s PRO 208 Ca -0.07 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.76 3jpr s PRO 208 Cb -0.07 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3jpr s PRO 208 CO -0.08 -0.46 0.00 1.63 0.04 0.00 0.00 177.00 178.12 3jpr n LYS 209 N -2.33 -1.48 -0.25 4.56 5.02 -1.26 -4.88 118.16 117.54 3jpr n LYS 209 Ca 0.03 1.13 0.05 0.00 -2.02 0.00 0.00 58.31 57.49 3jpr n LYS 209 Cb 0.57 -5.50 0.18 0.00 -0.02 0.00 0.00 35.03 30.26 3jpr n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3jpr h LEU 210 N 0.00 0.26 -0.03 -0.35 3.38 -1.91 0.12 115.31 116.78 3jpr h LEU 210 Ca -0.37 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3jpr h LEU 210 Cb 1.29 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3jpr h LEU 210 CO 0.54 0.09 -0.26 0.25 0.09 0.00 0.00 178.44 179.15 3jpr h LEU 211 N 0.43 0.28 -0.71 1.67 5.85 -1.90 -3.26 115.31 117.67 3jpr h LEU 211 Ca 0.41 -0.70 0.14 0.00 0.84 0.00 0.00 57.88 58.57 3jpr h LEU 211 Cb 0.62 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 3jpr h LEU 211 CO -0.41 0.94 0.20 -0.74 -0.34 0.00 0.00 178.44 178.09 3jpr h HIS 212 N -0.35 0.32 -1.01 1.25 2.76 -1.75 -0.55 115.15 115.82 3jpr h HIS 212 Ca -0.02 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3jpr h HIS 212 Cb 0.95 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.81 3jpr h HIS 212 CO 0.15 -0.03 0.65 1.96 -1.30 0.00 0.00 177.93 179.36 3jpr h GLN 213 N 0.31 1.18 -0.13 5.26 4.20 -0.85 0.91 115.11 125.99 3jpr h GLN 213 Ca 0.39 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 3jpr h GLN 213 Cb 0.63 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3jpr h GLN 213 CO -0.46 0.78 -0.04 0.28 -0.67 0.00 0.00 178.83 178.72 3jpr h VAL 214 N 1.22 1.30 -0.22 -0.54 2.07 -1.20 -2.30 116.25 116.59 3jpr h VAL 214 Ca 0.42 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.95 3jpr h VAL 214 Cb 0.11 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3jpr h VAL 214 CO -0.16 0.29 0.04 0.58 0.02 0.00 0.00 177.57 178.35 3jpr h VAL 215 N -0.08 0.90 -0.51 2.57 2.07 -0.81 -1.20 116.25 119.19 3jpr h VAL 215 Ca 0.03 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3jpr h VAL 215 Cb 0.48 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3jpr h VAL 215 CO 0.01 0.02 0.12 -0.08 0.02 0.00 0.00 177.57 177.66 3jpr h GLU 216 N 0.12 0.25 -0.61 1.57 4.81 -0.81 -0.01 114.58 119.90 3jpr h GLU 216 Ca 0.10 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 3jpr h GLU 216 Cb 0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3jpr h GLU 216 CO -0.13 0.17 0.07 0.37 -0.73 0.00 0.00 179.01 178.76 3jpr h GLN 217 N 0.26 1.00 0.00 1.92 5.75 -1.08 0.11 115.11 123.08 3jpr h GLN 217 Ca 0.26 -0.27 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3jpr h GLN 217 Cb 0.34 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 3jpr h GLN 217 CO -0.32 0.94 -0.25 -0.07 -2.65 0.00 0.00 178.83 176.48 3jpr h LEU 218 N 0.94 0.00 0.16 -2.39 3.38 -0.37 -2.55 115.31 114.48 3jpr h LEU 218 Ca 0.19 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.85 3jpr h LEU 218 Cb 0.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.20 3jpr h LEU 218 CO 0.01 0.25 -1.41 1.56 0.09 0.00 0.00 178.44 178.94 3jpr h GLN 219 N 0.00 0.34 -0.42 1.13 4.20 -0.56 0.16 115.11 119.97 3jpr h GLN 219 Ca -0.00 -0.58 0.03 0.00 0.06 0.00 0.00 58.65 58.16 3jpr h GLN 219 Cb 0.73 0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 3jpr h GLN 219 CO 0.03 1.25 0.28 -0.22 -0.67 0.00 0.00 178.83 179.50 3jpr h LYS 220 N 0.09 0.42 -0.64 1.46 3.64 -0.40 0.27 116.57 121.41 3jpr h LYS 220 Ca -0.21 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 3jpr h LYS 220 Cb 2.04 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 3jpr h LYS 220 CO 0.21 0.28 0.00 1.33 -2.27 0.00 0.00 179.45 179.00 3jpr n VAL 221 N -4.48 1.51 -2.15 2.00 0.24 -1.02 -4.93 118.33 109.50 3jpr n VAL 221 Ca 0.04 -0.99 -0.19 0.00 -2.04 0.00 0.00 64.34 61.16 3jpr n VAL 221 Cb 0.17 0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 3jpr n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jpr n HIS 222 N 0.99 -0.68 -0.08 6.34 8.25 0.08 -4.89 115.22 125.23 3jpr n HIS 222 Ca 0.22 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.49 3jpr n HIS 222 Cb 0.76 -3.63 -0.12 0.00 1.12 0.00 0.00 29.99 28.12 3jpr n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3jpr h PHE 223 N 0.00 0.05 -3.36 4.41 3.57 -0.95 -3.43 116.94 117.22 3jpr h PHE 223 Ca -0.44 -0.04 -0.58 0.00 3.53 0.00 0.00 57.97 60.44 3jpr h PHE 223 Cb 1.32 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.98 3jpr h PHE 223 CO 0.52 1.33 0.21 0.42 -2.23 0.00 0.00 178.31 178.56 3jpr s ILE 224 N -2.33 4.98 -0.13 1.41 1.01 -0.37 -0.97 121.20 124.79 3jpr s ILE 224 Ca -0.24 1.39 0.13 0.00 0.00 0.00 0.00 60.65 61.93 3jpr s ILE 224 Cb 0.03 -4.03 -0.18 0.00 0.01 0.00 0.00 42.46 38.29 3jpr s ILE 224 CO 0.65 0.11 0.07 0.35 0.00 0.00 0.00 174.94 176.11 3jpr n THR 225 N 4.53 0.92 -3.98 2.92 -2.24 0.49 -4.37 114.28 112.55 3jpr n THR 225 Ca 0.01 -0.59 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 3jpr n THR 225 Cb 0.50 -0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 3jpr n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jpr s ASP 226 N -4.71 0.11 -0.10 3.42 1.11 -1.20 -4.99 116.67 110.32 3jpr s ASP 226 Ca -0.07 -0.90 0.01 0.00 0.18 0.00 0.00 52.55 51.77 3jpr s ASP 226 Cb 0.05 0.39 0.02 0.00 1.07 0.00 0.00 42.92 44.45 3jpr s ASP 226 CO 0.60 -0.84 -0.12 -0.89 1.18 0.00 0.00 175.17 175.10 3jpr s THR 227 N -3.97 1.29 -0.12 -1.27 2.01 -1.26 -1.25 115.64 111.07 3jpr s THR 227 Ca 0.16 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 3jpr s THR 227 Cb 0.04 -1.21 -0.26 0.00 0.01 0.00 0.00 72.50 71.09 3jpr s THR 227 CO -0.01 0.40 0.44 -0.07 -0.69 0.00 0.00 174.62 174.69 3jpr h LEU 228 N 7.56 0.34 -7.00 4.42 3.38 -0.57 -3.46 115.31 119.97 3jpr h LEU 228 Ca -0.31 -0.83 -0.05 0.00 0.09 0.00 0.00 57.88 56.78 3jpr h LEU 228 Cb 1.16 -0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 3jpr h LEU 228 CO 0.47 1.68 0.22 -0.94 0.09 0.00 0.00 178.44 179.96 3jpr s SER 229 N -7.02 -0.63 -0.19 -0.43 1.04 -0.44 -4.41 113.70 101.62 3jpr s SER 229 Ca -0.22 0.65 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 3jpr s SER 229 Cb 0.05 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.76 3jpr s SER 229 CO 0.74 -0.62 0.45 -0.75 0.98 0.00 0.00 173.24 174.05 3jpr s LYS 230 N -1.36 0.45 0.15 4.02 2.20 -1.26 -0.87 119.74 123.08 3jpr s LYS 230 Ca -0.10 0.83 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 3jpr s LYS 230 Cb -0.00 0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 3jpr s LYS 230 CO 0.08 -0.15 0.09 0.41 -0.36 0.00 0.00 175.35 175.42 3jpr n GLY 231 N 4.11 3.64 0.26 5.54 0.00 -0.65 -5.03 105.19 113.07 3jpr n GLY 231 Ca -0.22 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.06 3jpr n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jpr h GLU 232 N 0.00 0.00 0.00 1.61 4.39 -2.02 -3.32 114.58 115.25 3jpr h GLU 232 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3jpr h GLU 232 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3jpr h GLU 232 CO 0.17 0.09 -0.21 0.25 -1.16 0.00 0.00 179.01 178.15 3jpr n THR 233 N -3.93 0.00 -3.97 1.13 -2.24 -1.26 -4.53 114.28 99.47 3jpr n THR 233 Ca -0.02 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 3jpr n THR 233 Cb 0.18 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 69.05 3jpr n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3jpr s LYS 234 N -0.92 0.73 -0.09 -0.78 2.20 -1.25 0.57 119.74 120.21 3jpr s LYS 234 Ca 0.00 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 3jpr s LYS 234 Cb 0.00 -0.90 -0.02 0.00 -1.51 0.00 0.00 37.83 35.40 3jpr s LYS 234 CO 0.00 -0.18 -0.11 0.12 -0.36 0.00 0.00 175.35 174.81 3jpr s PHE 235 N 1.39 2.82 -0.19 4.03 5.36 0.07 -1.64 117.98 129.82 3jpr s PHE 235 Ca -0.04 -0.27 -0.02 0.00 -0.96 0.00 0.00 56.93 55.64 3jpr s PHE 235 Cb -0.13 -1.74 0.05 0.00 -0.34 0.00 0.00 43.02 40.86 3jpr s PHE 235 CO -0.03 0.08 0.00 1.41 -1.46 0.00 0.00 175.22 175.23 3jpr s MET 236 N -0.32 0.96 0.00 10.12 -2.45 -0.04 -1.32 119.30 126.24 3jpr s MET 236 Ca 0.03 -0.51 0.00 0.00 -1.25 0.00 0.00 55.69 53.96 3jpr s MET 236 Cb -0.13 -2.11 0.00 0.00 1.25 0.00 0.00 34.83 33.84 3jpr s MET 236 CO 0.02 -0.58 0.00 0.41 1.05 0.00 0.00 175.02 175.93 3jpr n GLY 237 N 4.96 4.20 3.16 2.11 0.00 -0.10 0.19 105.19 119.71 3jpr n GLY 237 Ca -0.10 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 3jpr n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpr s VAL 238 N -0.47 1.16 0.21 1.61 1.01 -0.38 -1.18 120.40 122.36 3jpr s VAL 238 Ca 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 3jpr s VAL 238 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3jpr s VAL 238 CO 0.00 -0.04 0.24 0.00 0.00 0.00 0.00 175.10 175.30 3jpr s GLN 240 N -4.10 0.67 0.55 0.00 0.74 -0.14 0.71 119.66 118.08 3jpr s GLN 240 Ca 0.32 1.07 -0.20 0.00 0.05 0.00 0.00 55.36 56.60 3jpr s GLN 240 Cb 0.05 0.17 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 3jpr s GLN 240 CO 0.10 -0.14 1.16 -0.51 -0.55 0.00 0.00 175.29 175.35 3jpr s LEU 241 N 1.27 3.76 0.31 3.68 1.43 -1.26 -4.61 118.68 123.25 3jpr s LEU 241 Ca -0.07 2.27 -0.27 0.00 -1.03 0.00 0.00 54.13 55.02 3jpr s LEU 241 Cb -0.05 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.53 3jpr s LEU 241 CO -0.14 -1.30 0.96 -2.16 0.23 0.00 0.00 176.35 173.94 3jpr s PRO 242 N -3.22 4.63 0.21 1.29 0.04 -1.26 -4.47 135.00 132.22 3jpr s PRO 242 Ca 0.73 1.41 0.05 0.00 0.04 0.00 0.00 61.00 63.23 3jpr s PRO 242 Cb -0.27 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 3jpr s PRO 242 CO 0.30 0.31 0.24 -1.54 0.04 0.00 0.00 177.00 176.35 3jpr s SER 243 N -1.46 5.89 0.87 6.66 1.04 -1.26 -4.93 113.70 120.51 3jpr s SER 243 Ca 0.48 -0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.75 3jpr s SER 243 Cb -0.21 -1.63 0.17 0.00 0.10 0.00 0.00 66.02 64.45 3jpr s SER 243 CO 0.27 -0.01 1.20 -0.54 0.98 0.00 0.00 173.24 175.15 3jpr s LYS 244 N -3.60 1.02 0.27 4.02 1.02 -1.26 -4.96 119.74 116.25 3jpr s LYS 244 Ca 0.33 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 3jpr s LYS 244 Cb -0.09 -2.02 -0.11 0.00 -0.52 0.00 0.00 37.83 35.08 3jpr s LYS 244 CO 0.26 -2.06 1.57 -0.80 -0.92 0.00 0.00 175.35 173.41 3jpr s ASN 245 N -4.84 6.43 0.00 2.83 0.01 -1.26 -2.13 114.94 115.99 3jpr s ASN 245 Ca 0.71 2.88 0.00 0.00 -0.71 0.00 0.00 52.86 55.74 3jpr s ASN 245 Cb -0.04 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3jpr s ASN 245 CO 0.50 -0.88 0.00 0.47 -1.51 0.00 0.00 177.10 175.68 3jpr n ASP 246 N 2.42 0.00 -4.77 -1.22 10.43 -1.26 -4.95 116.55 117.19 3jpr n ASP 246 Ca 0.09 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 57.06 3jpr n ASP 246 Cb 0.38 -1.73 -0.06 0.00 1.84 0.00 0.00 41.12 41.55 3jpr n ASP 246 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3jpr s GLU 247 N -0.61 4.27 0.34 -1.24 2.02 -0.91 -5.02 118.70 117.55 3jpr s GLU 247 Ca 0.00 0.68 -0.28 0.00 0.02 0.00 0.00 54.97 55.38 3jpr s GLU 247 Cb 0.00 -3.33 -0.12 0.00 0.10 0.00 0.00 34.13 30.78 3jpr s GLU 247 CO 0.00 0.41 1.41 0.36 0.02 0.00 0.00 175.26 177.46 3jpr n LYS 248 N 2.62 2.40 -1.62 1.61 2.85 -1.26 -4.61 118.16 120.15 3jpr n LYS 248 Ca -0.08 0.84 -0.31 0.00 -1.05 0.00 0.00 58.31 57.71 3jpr n LYS 248 Cb 0.51 -2.51 0.05 0.00 -0.65 0.00 0.00 35.03 32.43 3jpr n LYS 248 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3jpr s GLU 249 N -1.71 2.88 0.68 -1.58 -1.05 -1.26 -4.87 118.70 111.79 3jpr s GLU 249 Ca 0.56 1.07 -0.12 0.00 -0.15 0.00 0.00 54.97 56.34 3jpr s GLU 249 Cb -0.53 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 3jpr s GLU 249 CO 0.60 -1.15 1.06 0.71 0.95 0.00 0.00 175.26 177.43 3jpr s TYR 250 N -2.85 3.09 0.72 4.83 2.02 -1.26 -5.02 117.35 118.88 3jpr s TYR 250 Ca 0.60 1.44 -0.13 0.00 -0.37 0.00 0.00 57.07 58.61 3jpr s TYR 250 Cb -0.15 -2.90 0.03 0.00 -0.40 0.00 0.00 41.96 38.54 3jpr s TYR 250 CO 0.51 -1.21 1.13 -2.14 -1.57 0.00 0.00 175.55 172.26 3jpr s PRO 251 N -4.87 2.41 0.35 -1.71 0.02 -1.26 -4.86 135.00 125.07 3jpr s PRO 251 Ca 0.59 1.41 -0.25 0.00 0.02 0.00 0.00 61.00 62.77 3jpr s PRO 251 Cb -0.14 -1.90 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 3jpr s PRO 251 CO 0.52 -1.56 0.96 -1.01 -0.33 0.00 0.00 177.00 175.58 3jpr s HIS 252 N -2.44 3.57 0.13 6.54 3.76 -1.26 -4.65 115.29 120.94 3jpr s HIS 252 Ca 0.67 1.73 0.10 0.00 -0.15 0.00 0.00 55.06 57.41 3jpr s HIS 252 Cb -0.21 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 3jpr s HIS 252 CO 0.47 0.03 -0.23 1.03 -0.85 0.00 0.00 174.74 175.20 3jpr s ARG 253 N -2.30 1.28 0.21 1.40 1.81 0.22 -4.37 118.95 117.20 3jpr s ARG 253 Ca 0.53 -1.30 -0.30 0.00 -1.72 0.00 0.00 55.73 52.94 3jpr s ARG 253 Cb -0.18 -1.60 -0.08 0.00 -0.45 0.00 0.00 34.95 32.64 3jpr s ARG 253 CO 0.23 0.36 0.94 1.03 -0.68 0.00 0.00 175.30 177.18 3jpr s ARG 254 N -2.18 4.82 -0.02 3.54 1.81 -1.26 0.06 118.95 125.71 3jpr s ARG 254 Ca 0.12 1.48 0.02 0.00 -1.72 0.00 0.00 55.73 55.62 3jpr s ARG 254 Cb -0.09 -3.30 0.01 0.00 -0.45 0.00 0.00 34.95 31.11 3jpr s ARG 254 CO 0.06 0.45 -0.06 -1.50 -0.68 0.00 0.00 175.30 173.56 3jpr s ILE 255 N -0.89 0.57 -0.10 1.52 2.07 -0.32 -2.17 121.20 121.87 3jpr s ILE 255 Ca 0.42 -0.24 0.03 0.00 -1.41 0.00 0.00 60.65 59.46 3jpr s ILE 255 Cb -0.25 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 41.81 3jpr s ILE 255 CO 0.31 0.19 -0.21 -1.81 -1.91 0.00 0.00 174.94 171.51 3jpr s ASP 256 N 0.29 2.84 -0.13 4.50 1.01 -0.13 -0.92 116.67 124.13 3jpr s ASP 256 Ca -0.04 -0.51 0.01 0.00 0.71 0.00 0.00 52.55 52.72 3jpr s ASP 256 Cb -0.08 -1.30 0.02 0.00 1.01 0.00 0.00 42.92 42.57 3jpr s ASP 256 CO 0.00 0.13 -0.13 -0.63 0.21 0.00 0.00 175.17 174.74 3jpr s ILE 257 N 0.46 1.46 -0.23 0.77 1.01 -0.43 0.26 121.20 124.49 3jpr s ILE 257 Ca -0.17 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3jpr s ILE 257 Cb -0.17 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 40.94 3jpr s ILE 257 CO 0.07 0.44 -0.09 -0.60 0.00 0.00 0.00 174.94 174.76 3jpr s ARG 258 N 1.38 2.96 -0.19 2.79 6.06 0.32 -0.75 118.95 131.51 3jpr s ARG 258 Ca 0.02 -0.89 -0.22 0.00 -2.50 0.00 0.00 55.73 52.14 3jpr s ARG 258 Cb -0.13 -2.91 -0.02 0.00 0.06 0.00 0.00 34.95 31.95 3jpr s ARG 258 CO -0.08 -0.33 0.70 -1.17 -2.50 0.00 0.00 175.30 171.93 3jpr s LEU 259 N 1.34 4.15 0.03 -0.88 2.96 0.19 -0.84 118.68 125.64 3jpr s LEU 259 Ca 0.02 0.95 0.05 0.00 -0.22 0.00 0.00 54.13 54.94 3jpr s LEU 259 Cb -0.16 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 3jpr s LEU 259 CO -0.06 -0.32 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.86 3jpr s ILE 260 N 2.00 1.28 0.01 6.68 1.01 -0.53 -4.81 121.20 126.84 3jpr s ILE 260 Ca 0.32 -0.98 -0.36 0.00 0.00 0.00 0.00 60.65 59.63 3jpr s ILE 260 Cb -0.16 -1.13 -0.15 0.00 0.01 0.00 0.00 42.46 41.04 3jpr s ILE 260 CO 0.11 0.13 1.57 -2.65 0.00 0.00 0.00 174.94 174.10 3jpr n PRO 261 N 2.05 1.61 -0.28 2.79 -0.02 -1.26 -4.52 135.00 135.36 3jpr n PRO 261 Ca -0.17 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 3jpr n PRO 261 Cb 0.54 -2.30 0.24 0.00 -0.02 0.00 0.00 33.50 31.96 3jpr n PRO 261 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3jpr h LYS 262 N 6.18 0.18 0.00 -0.52 1.63 -1.30 0.44 116.57 123.17 3jpr h LYS 262 Ca -0.47 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 3jpr h LYS 262 Cb 1.30 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3jpr h LYS 262 CO 0.87 0.12 0.00 -0.40 -3.45 0.00 0.00 179.45 176.59 3jpr n ASP 263 N -5.26 0.00 -0.78 4.20 5.75 -1.26 -2.59 116.55 116.61 3jpr n ASP 263 Ca 0.18 0.08 0.03 0.00 -0.01 0.00 0.00 54.79 55.06 3jpr n ASP 263 Cb 0.59 -0.30 0.20 0.00 -1.03 0.00 0.00 41.12 40.59 3jpr n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jpr n GLN 264 N -1.30 1.70 0.15 0.11 6.02 0.15 -4.81 117.38 119.40 3jpr n GLN 264 Ca 0.08 -3.30 -0.14 0.00 -0.01 0.00 0.00 57.00 53.63 3jpr n GLN 264 Cb 0.14 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.64 3jpr n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3jpr h TYR 265 N 1.03 -0.63 -0.78 1.08 3.20 -1.43 -1.88 116.97 117.56 3jpr h TYR 265 Ca 0.07 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.04 3jpr h TYR 265 Cb 1.18 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.63 3jpr h TYR 265 CO 0.84 -0.35 0.42 1.88 -1.64 0.00 0.00 178.16 179.31 3jpr h TYR 266 N -0.50 0.75 -0.28 -3.82 0.05 -1.88 0.81 116.97 112.11 3jpr h TYR 266 Ca 0.00 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 3jpr h TYR 266 Cb 0.47 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 3jpr h TYR 266 CO -0.18 0.29 -0.39 0.00 -1.05 0.00 0.00 178.16 176.83 3jpr h GLY 268 N 0.99 0.23 2.00 0.00 0.00 -0.26 -1.64 103.07 104.39 3jpr h GLY 268 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3jpr h GLY 268 CO 0.08 0.15 -0.32 -0.24 0.00 0.00 0.00 176.54 176.21 3jpr h VAL 269 N -0.06 0.95 0.46 4.60 3.04 0.58 -0.94 116.25 124.88 3jpr h VAL 269 Ca 0.03 -1.24 -0.02 0.00 -1.01 0.00 0.00 66.70 64.46 3jpr h VAL 269 Cb 0.36 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 3jpr h VAL 269 CO 0.01 0.32 -0.22 0.25 -1.01 0.00 0.00 177.57 176.91 3jpr h LEU 270 N 0.00 -0.52 0.11 3.16 5.85 -1.06 -1.83 115.31 121.02 3jpr h LEU 270 Ca -0.00 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3jpr h LEU 270 Cb 0.70 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 3jpr h LEU 270 CO 0.04 -0.21 -0.52 0.22 -0.34 0.00 0.00 178.44 177.63 3jpr h TYR 271 N -0.85 -1.52 0.00 1.25 3.20 -1.01 -2.75 116.97 115.30 3jpr h TYR 271 Ca -0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3jpr h TYR 271 Cb 0.57 0.65 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3jpr h TYR 271 CO 0.00 -0.59 0.00 0.35 -1.64 0.00 0.00 178.16 176.28 3jpr h PHE 272 N -0.74 0.00 0.02 -3.82 3.57 -1.23 -2.45 116.94 112.28 3jpr h PHE 272 Ca -0.00 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 3jpr h PHE 272 Cb 0.75 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3jpr h PHE 272 CO -0.46 0.00 -1.12 1.15 -2.23 0.00 0.00 178.31 175.66 3jpr h THR 273 N 0.00 1.59 -0.18 4.41 2.02 -1.03 0.09 112.91 119.80 3jpr h THR 273 Ca 0.00 -3.30 0.00 0.00 0.77 0.00 0.00 66.41 63.88 3jpr h THR 273 Cb 0.23 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 3jpr h THR 273 CO 0.00 0.91 0.00 0.61 0.37 0.00 0.00 175.52 177.41 3jpr n GLY 274 N 1.40 0.70 3.54 2.16 0.00 -0.93 -4.14 105.19 107.93 3jpr n GLY 274 Ca -0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3jpr n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jpr s SER 275 N -4.00 0.51 0.21 1.61 1.04 -0.28 -4.74 113.70 108.05 3jpr s SER 275 Ca 0.00 0.64 -0.07 0.00 0.48 0.00 0.00 55.95 57.00 3jpr s SER 275 Cb 0.00 -0.87 0.15 0.00 0.10 0.00 0.00 66.02 65.40 3jpr s SER 275 CO 0.00 -4.38 1.70 -2.24 0.98 0.00 0.00 173.24 169.30 3jpr h ASP 276 N -2.76 1.01 -0.03 7.02 2.03 -1.90 0.11 116.42 121.91 3jpr h ASP 276 Ca -0.44 -0.25 -0.18 0.00 -0.73 0.00 0.00 57.03 55.43 3jpr h ASP 276 Cb 1.30 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 39.53 3jpr h ASP 276 CO 0.32 1.02 -0.62 0.40 -1.03 0.00 0.00 179.24 179.32 3jpr h ILE 277 N 0.97 1.31 -0.41 4.15 2.04 -1.94 -0.76 117.51 122.88 3jpr h ILE 277 Ca 0.19 -1.87 0.01 0.00 1.00 0.00 0.00 64.86 64.19 3jpr h ILE 277 Cb 0.46 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3jpr h ILE 277 CO 0.02 0.59 0.25 0.15 0.00 0.00 0.00 178.15 179.16 3jpr h PHE 278 N 0.47 0.48 -0.47 1.37 3.04 -1.70 0.18 116.94 120.31 3jpr h PHE 278 Ca -0.01 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.98 3jpr h PHE 278 Cb 1.20 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 3jpr h PHE 278 CO 0.06 0.29 0.26 -0.91 -2.02 0.00 0.00 178.31 175.99 3jpr h ASN 279 N 0.51 0.41 -0.80 0.41 2.35 -0.57 0.19 115.58 118.08 3jpr h ASN 279 Ca 0.16 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3jpr h ASN 279 Cb -0.02 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3jpr h ASN 279 CO -0.06 0.29 0.43 0.11 -1.65 0.00 0.00 177.43 176.55 3jpr h LYS 280 N 0.53 1.12 -0.26 0.81 1.57 -0.42 0.11 116.57 120.04 3jpr h LYS 280 Ca 0.19 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3jpr h LYS 280 Cb 0.05 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3jpr h LYS 280 CO -0.11 0.84 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.48 3jpr h ASN 281 N 1.12 0.64 -0.32 0.86 2.35 -0.11 -2.18 115.58 117.95 3jpr h ASN 281 Ca 0.28 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3jpr h ASN 281 Cb 0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3jpr h ASN 281 CO -0.04 0.97 0.14 -0.03 -1.65 0.00 0.00 177.43 176.81 3jpr h MET 282 N 0.33 0.46 -0.39 0.81 4.05 -0.35 -0.91 114.93 118.93 3jpr h MET 282 Ca 0.05 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 3jpr h MET 282 Cb 0.77 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 3jpr h MET 282 CO 0.06 0.44 0.08 0.00 0.23 0.00 0.00 176.91 177.72 3jpr h ARG 283 N 0.37 0.59 0.21 0.39 3.08 -1.00 -0.45 114.38 117.57 3jpr h ARG 283 Ca 0.11 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3jpr h ARG 283 Cb 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3jpr h ARG 283 CO -0.01 0.56 -0.10 0.00 -1.07 0.00 0.00 179.97 179.34 3jpr h ALA 284 N 1.52 -0.28 -0.97 0.04 0.00 -1.09 -2.31 119.26 116.15 3jpr h ALA 284 Ca 0.13 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.02 3jpr h ALA 284 Cb 0.25 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3jpr h ALA 284 CO -0.00 -0.49 0.61 1.25 0.00 0.00 0.00 179.25 180.62 3jpr h HIS 285 N -0.62 1.01 -0.12 0.00 -0.00 -0.91 -0.87 115.15 113.63 3jpr h HIS 285 Ca -0.03 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 3jpr h HIS 285 Cb 0.45 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 3jpr h HIS 285 CO 0.03 0.33 -0.07 0.00 -0.00 0.00 0.00 177.93 178.21 3jpr h ALA 286 N 1.59 0.03 -0.43 5.26 0.00 -0.88 -1.09 119.26 123.74 3jpr h ALA 286 Ca 0.51 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.54 3jpr h ALA 286 Cb 0.72 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3jpr h ALA 286 CO -0.28 -0.53 0.08 -0.07 0.00 0.00 0.00 179.25 178.45 3jpr h LEU 287 N -0.07 -0.02 -1.22 0.00 3.38 -0.40 0.22 115.31 117.20 3jpr h LEU 287 Ca 0.07 0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.22 3jpr h LEU 287 Cb 0.18 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3jpr h LEU 287 CO -0.17 0.02 0.57 -0.33 0.09 0.00 0.00 178.44 178.62 3jpr h GLU 288 N 0.20 0.84 -0.03 1.13 5.08 -0.94 0.42 114.58 121.29 3jpr h GLU 288 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3jpr h GLU 288 Cb 0.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3jpr h GLU 288 CO -0.29 0.56 0.00 1.63 -1.00 0.00 0.00 179.01 179.91 3jpr n LYS 289 N -4.52 1.17 -1.86 2.33 4.76 0.07 -4.89 118.16 115.21 3jpr n LYS 289 Ca 0.15 -0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3jpr n LYS 289 Cb 0.30 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 3jpr n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jpr n GLY 290 N 0.93 0.65 3.23 0.72 0.00 0.15 -4.99 105.19 105.88 3jpr n GLY 290 Ca 0.17 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 3jpr n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jpr s PHE 291 N -2.19 1.15 -0.05 1.61 0.40 0.57 -0.39 117.98 119.08 3jpr s PHE 291 Ca 0.00 -0.93 0.02 0.00 -0.60 0.00 0.00 56.93 55.41 3jpr s PHE 291 Cb 0.00 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.90 3jpr s PHE 291 CO 0.00 -0.13 -0.08 -0.08 0.70 0.00 0.00 175.22 175.63 3jpr s THR 292 N -3.57 0.81 -0.09 0.64 -1.32 0.21 -1.83 115.64 110.49 3jpr s THR 292 Ca 0.19 -0.30 0.04 0.00 -1.21 0.00 0.00 61.69 60.41 3jpr s THR 292 Cb 0.05 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 3jpr s THR 292 CO 0.01 0.28 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.85 3jpr s ILE 293 N 0.66 1.86 0.13 5.08 1.01 -1.26 -0.61 121.20 128.06 3jpr s ILE 293 Ca -0.11 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3jpr s ILE 293 Cb -0.14 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 3jpr s ILE 293 CO 0.02 0.52 0.05 -0.46 0.00 0.00 0.00 174.94 175.06 3jpr n ASN 294 N 3.50 0.86 0.00 3.58 0.23 -0.74 -4.94 115.26 117.74 3jpr n ASN 294 Ca -0.20 -1.69 0.12 0.00 -0.53 0.00 0.00 54.58 52.28 3jpr n ASN 294 Cb 0.53 0.35 0.67 0.00 -2.08 0.00 0.00 39.78 39.25 3jpr n ASN 294 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3jpr n GLU 295 N -0.28 0.65 -0.05 -3.83 0.00 -1.26 -3.60 120.64 112.27 3jpr n GLU 295 Ca -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 3jpr n GLU 295 Cb 0.19 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.08 3jpr n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3jpr n TYR 296 N -1.05 0.00 -3.91 -1.84 4.01 -1.26 -1.84 117.16 111.26 3jpr n TYR 296 Ca 0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.82 3jpr n TYR 296 Cb 0.10 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 38.69 3jpr n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3jpr s THR 297 N -2.21 0.00 -0.15 -0.72 -4.23 -1.24 -4.74 115.64 102.35 3jpr s THR 297 Ca -0.13 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 3jpr s THR 297 Cb 0.04 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.67 3jpr s THR 297 CO 0.26 0.00 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.66 3jpr s ILE 298 N -3.68 1.79 0.15 2.99 2.07 -1.26 -1.80 121.20 121.46 3jpr s ILE 298 Ca 0.17 -0.78 0.09 0.00 -1.41 0.00 0.00 60.65 58.72 3jpr s ILE 298 Cb -0.04 -1.64 -0.04 0.00 0.13 0.00 0.00 42.46 40.88 3jpr s ILE 298 CO 0.09 0.50 -0.21 -0.13 -1.91 0.00 0.00 174.94 173.28 3jpr s ARG 299 N 1.29 1.30 0.61 3.50 0.52 0.22 -1.91 118.95 124.48 3jpr s ARG 299 Ca 0.02 -1.37 -0.11 0.00 -0.52 0.00 0.00 55.73 53.75 3jpr s ARG 299 Cb -0.13 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 3jpr s ARG 299 CO -0.09 0.32 1.01 -1.25 0.02 0.00 0.00 175.30 175.31 3jpr s PRO 300 N -2.51 3.60 -0.26 3.54 0.04 -1.26 0.68 135.00 138.82 3jpr s PRO 300 Ca 0.15 0.72 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 3jpr s PRO 300 Cb -0.07 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 3jpr s PRO 300 CO 0.07 -0.54 0.07 -0.51 0.04 0.00 0.00 177.00 176.13 3jpr s LEU 301 N -5.13 3.55 1.11 -3.56 1.43 0.47 -1.35 118.68 115.21 3jpr s LEU 301 Ca 0.55 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 3jpr s LEU 301 Cb -0.11 -1.91 0.25 0.00 0.03 0.00 0.00 46.19 44.45 3jpr s LEU 301 CO 0.53 -0.08 1.08 -0.83 0.23 0.00 0.00 176.35 177.28 3jpr s GLY 302 N 1.58 1.56 0.16 -3.19 0.00 -0.86 -4.87 107.32 101.70 3jpr s GLY 302 Ca 0.05 -0.56 -0.18 0.00 0.00 0.00 0.00 44.72 44.03 3jpr s GLY 302 CO 0.03 0.18 1.69 -0.39 0.00 0.00 0.00 173.10 174.60 3jpr h VAL 303 N -2.31 0.69 0.17 1.40 -1.51 -1.99 -2.21 116.25 110.49 3jpr h VAL 303 Ca -0.52 -0.01 0.01 0.00 -1.23 0.00 0.00 66.70 64.95 3jpr h VAL 303 Cb 1.32 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 3jpr h VAL 303 CO 0.48 0.01 -0.21 0.00 -1.23 0.00 0.00 177.57 176.62 3jpr h THR 304 N 0.03 0.54 0.00 7.19 1.03 -2.04 -3.46 112.91 116.19 3jpr h THR 304 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.57 3jpr h THR 304 Cb 0.25 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 67.86 3jpr h THR 304 CO -0.33 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 175.79 3jpr n GLY 305 N -1.34 0.15 3.77 2.99 0.00 -0.83 -5.13 105.19 104.80 3jpr n GLY 305 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3jpr n GLY 305 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpr s VAL 306 N -0.17 3.26 0.31 1.61 1.01 -1.26 -4.61 120.40 120.54 3jpr s VAL 306 Ca 0.00 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.83 3jpr s VAL 306 Cb 0.00 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.61 3jpr s VAL 306 CO 0.00 0.18 1.24 0.00 0.00 0.00 0.00 175.10 176.52 3jpr s ALA 307 N -1.32 3.47 0.61 5.51 0.00 -1.26 -2.02 121.76 126.75 3jpr s ALA 307 Ca 0.52 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3jpr s ALA 307 Cb -0.31 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3jpr s ALA 307 CO 0.40 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3jpr n GLY 308 N 1.02 0.19 3.85 0.00 0.00 -0.45 -4.92 105.19 104.88 3jpr n GLY 308 Ca 0.00 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 3jpr n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jpr s GLU 309 N -0.38 3.62 0.45 1.61 0.41 -1.26 -4.71 118.70 118.44 3jpr s GLU 309 Ca 0.00 0.85 -0.24 0.00 -0.41 0.00 0.00 54.97 55.16 3jpr s GLU 309 Cb 0.00 -2.09 -0.09 0.00 -1.78 0.00 0.00 34.13 30.18 3jpr s GLU 309 CO 0.00 -0.55 1.30 -2.30 -0.49 0.00 0.00 175.26 173.22 3jpr n PRO 310 N -2.42 1.90 -3.65 0.39 -0.02 -1.26 -4.41 135.00 125.53 3jpr n PRO 310 Ca 0.06 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.88 3jpr n PRO 310 Cb 0.54 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 3jpr n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jpr s LEU 311 N -2.13 4.35 0.24 2.45 1.43 -0.80 -5.02 118.68 119.20 3jpr s LEU 311 Ca 0.63 0.69 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 3jpr s LEU 311 Cb -0.48 -2.90 -0.12 0.00 0.03 0.00 0.00 46.19 42.72 3jpr s LEU 311 CO 0.56 0.19 1.65 -0.81 0.23 0.00 0.00 176.35 178.17 3jpr n PRO 312 N 0.91 2.65 -4.05 1.29 -0.04 -1.26 -4.74 135.00 129.76 3jpr n PRO 312 Ca -0.09 0.95 -0.17 0.00 -0.04 0.00 0.00 63.50 64.15 3jpr n PRO 312 Cb 0.52 -2.76 -0.16 0.00 -0.04 0.00 0.00 33.50 31.07 3jpr n PRO 312 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3jpr s VAL 313 N 0.64 0.33 -0.03 0.52 1.01 -1.26 -4.98 120.40 116.62 3jpr s VAL 313 Ca 0.71 -0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.77 3jpr s VAL 313 Cb -0.53 -0.37 0.21 0.00 0.00 0.00 0.00 36.38 35.70 3jpr s VAL 313 CO 0.40 0.16 1.09 0.47 0.00 0.00 0.00 175.10 177.22 3jpr n ASP 314 N 3.84 0.71 0.00 3.32 9.92 -1.26 -5.00 116.55 128.08 3jpr n ASP 314 Ca -0.24 -2.24 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 3jpr n ASP 314 Cb 0.52 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 3jpr n ASP 314 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3jpr n SER 315 N -0.04 0.00 -0.21 -2.24 3.41 -1.26 -4.98 113.62 108.29 3jpr n SER 315 Ca 0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.57 3jpr n SER 315 Cb 0.86 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.83 3jpr n SER 315 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3jpr h GLU 316 N 0.00 1.05 -0.88 4.33 5.08 -1.98 -2.93 114.58 119.25 3jpr h GLU 316 Ca 0.00 -0.32 0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3jpr h GLU 316 Cb 0.00 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 3jpr h GLU 316 CO 0.00 1.02 0.57 -0.22 -1.00 0.00 0.00 179.01 179.38 3jpr h LYS 317 N 0.96 0.60 -0.94 2.33 3.64 -1.98 0.48 116.57 121.67 3jpr h LYS 317 Ca 0.18 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.61 3jpr h LYS 317 Cb 0.52 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.13 3jpr h LYS 317 CO 0.02 0.40 0.61 -0.44 -2.27 0.00 0.00 179.45 177.77 3jpr h ASP 318 N 0.62 0.90 -0.17 4.20 3.32 -1.90 0.16 116.42 123.55 3jpr h ASP 318 Ca 0.45 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.50 3jpr h ASP 318 Cb 0.81 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3jpr h ASP 318 CO -0.20 0.54 0.05 0.40 -1.72 0.00 0.00 179.24 178.32 3jpr h ILE 319 N 1.00 1.19 -0.72 0.35 2.04 -1.01 -2.28 117.51 118.09 3jpr h ILE 319 Ca 0.43 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3jpr h ILE 319 Cb 0.32 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3jpr h ILE 319 CO -0.18 0.18 0.42 -0.26 0.00 0.00 0.00 178.15 178.31 3jpr h PHE 320 N 0.10 0.78 -0.63 1.37 -1.00 -1.05 -2.52 116.94 113.99 3jpr h PHE 320 Ca 0.05 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.89 3jpr h PHE 320 Cb 0.23 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 3jpr h PHE 320 CO 0.00 0.39 0.38 -0.44 -1.61 0.00 0.00 178.31 177.04 3jpr h ASP 321 N 0.78 0.62 -0.67 2.17 3.32 -0.44 -1.76 116.42 120.45 3jpr h ASP 321 Ca 0.31 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.54 3jpr h ASP 321 Cb 0.15 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3jpr h ASP 321 CO -0.17 0.43 0.47 1.88 -1.72 0.00 0.00 179.24 180.13 3jpr h TYR 322 N 0.75 0.18 -0.58 4.55 0.99 -0.96 -0.94 116.97 120.96 3jpr h TYR 322 Ca 0.25 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.99 3jpr h TYR 322 Cb 0.03 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 37.71 3jpr h TYR 322 CO -0.05 0.07 0.00 0.44 -0.00 0.00 0.00 178.16 178.61 3jpr n ILE 323 N -4.40 1.04 -3.47 -2.88 -5.35 -0.89 -4.97 119.36 98.43 3jpr n ILE 323 Ca 0.13 -1.02 -0.19 0.00 -0.27 0.00 0.00 62.75 61.40 3jpr n ILE 323 Cb 0.64 0.48 0.09 0.00 -1.74 0.00 0.00 39.64 39.10 3jpr n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jpr n GLN 324 N 1.17 -7.02 -5.18 6.28 6.02 -0.36 -4.95 117.38 113.34 3jpr n GLN 324 Ca 0.20 0.84 -0.32 0.00 -0.01 0.00 0.00 57.00 57.71 3jpr n GLN 324 Cb 0.56 -5.85 -0.16 0.00 1.02 0.00 0.00 30.24 25.81 3jpr n GLN 324 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3jpr s TRP 325 N -3.34 2.47 0.54 1.08 0.52 -0.71 -5.04 118.94 114.45 3jpr s TRP 325 Ca 0.19 -0.52 -0.20 0.00 0.02 0.00 0.00 56.10 55.59 3jpr s TRP 325 Cb -0.08 -1.59 -0.06 0.00 -1.15 0.00 0.00 33.47 30.59 3jpr s TRP 325 CO 0.72 -0.09 1.13 0.15 0.02 0.00 0.00 176.95 178.89 3jpr s LYS 326 N -0.38 3.39 0.48 4.98 1.02 -1.26 -4.13 119.74 123.84 3jpr s LYS 326 Ca 0.03 1.63 -0.24 0.00 0.02 0.00 0.00 55.97 57.41 3jpr s LYS 326 Cb -0.12 -2.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.08 3jpr s LYS 326 CO 0.02 -0.82 1.37 -0.47 -0.92 0.00 0.00 175.35 174.53 3jpr s TYR 327 N -1.75 2.46 -0.14 3.18 5.04 -1.26 -5.01 117.35 119.88 3jpr s TYR 327 Ca 0.72 1.33 0.00 0.00 -2.44 0.00 0.00 57.07 56.68 3jpr s TYR 327 Cb -0.24 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.27 3jpr s TYR 327 CO 0.28 -2.75 -0.12 1.03 -1.34 0.00 0.00 175.55 172.65 3jpr s ARG 328 N -2.61 1.99 0.80 4.97 0.52 -1.26 -5.12 118.95 118.24 3jpr s ARG 328 Ca 0.65 -0.44 -0.14 0.00 -0.52 0.00 0.00 55.73 55.28 3jpr s ARG 328 Cb -0.41 -1.91 0.07 0.00 0.52 0.00 0.00 34.95 33.22 3jpr s ARG 328 CO 0.51 -0.25 1.17 0.39 0.02 0.00 0.00 175.30 177.14 3jpr n GLU 329 N 4.84 0.25 -0.26 3.54 -0.58 -1.26 -4.86 120.64 122.30 3jpr n GLU 329 Ca -0.15 0.16 0.06 0.00 -0.42 0.00 0.00 57.16 56.80 3jpr n GLU 329 Cb 0.50 -2.41 0.19 0.00 -0.57 0.00 0.00 31.44 29.15 3jpr n GLU 329 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3jpr h PRO 330 N -0.80 0.45 0.00 3.49 0.11 -1.94 0.22 132.00 133.53 3jpr h PRO 330 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jpr h PRO 330 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3jpr h PRO 330 CO 0.46 0.29 0.05 1.57 -0.21 0.00 0.00 178.00 180.16 3jpr h LYS 331 N 0.46 0.00 -0.36 1.05 2.10 -1.80 0.06 116.57 118.08 3jpr h LYS 331 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 3jpr h LYS 331 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 3jpr h LYS 331 CO -0.40 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.80 3jpr n ASP 332 N -2.29 4.26 -0.84 7.07 8.00 0.06 -4.46 116.55 128.35 3jpr n ASP 332 Ca -0.01 -2.88 0.07 0.00 0.71 0.00 0.00 54.79 52.68 3jpr n ASP 332 Cb 0.08 -0.55 0.22 0.00 -0.02 0.00 0.00 41.12 40.85 3jpr n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jpr n ARG 333 N -0.08 2.98 -2.45 -1.24 1.74 0.01 -4.86 116.66 112.76 3jpr n ARG 333 Ca 0.22 -2.52 -0.43 0.00 -0.77 0.00 0.00 57.85 54.35 3jpr n ARG 333 Cb 0.92 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 3jpr n ARG 333 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3jpr n SER 334 N 0.02 4.86 -0.83 0.55 7.64 -1.26 -1.12 113.62 123.47 3jpr n SER 334 Ca 0.18 -2.98 0.10 0.00 1.01 0.00 0.00 58.87 57.18 3jpr n SER 334 Cb 0.70 -1.60 0.09 0.00 -1.01 0.00 0.00 64.21 62.39 3jpr n SER 334 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41