#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jpp h LEU 11 N 0.00 1.04 -4.01 3.22 5.85 -1.95 -3.17 115.31 116.29 3jpp h LEU 11 Ca 0.00 -0.38 -0.41 0.00 0.84 0.00 0.00 57.88 57.93 3jpp h LEU 11 Cb 0.00 -0.28 -0.37 0.00 0.37 0.00 0.00 40.66 40.37 3jpp h LEU 11 CO 0.00 1.19 -0.86 0.59 -0.34 0.00 0.00 178.44 179.02 3jpp n ASN 12 N -4.12 3.68 -0.28 1.25 3.02 -1.26 -4.79 115.26 112.75 3jpp n ASN 12 Ca 0.00 -3.32 0.09 0.00 -0.03 0.00 0.00 54.58 51.33 3jpp n ASN 12 Cb 0.45 -0.39 0.24 0.00 -0.61 0.00 0.00 39.78 39.46 3jpp n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3jpp h GLY 13 N 2.10 1.31 0.63 7.41 0.00 -1.95 -2.01 103.07 110.57 3jpp h GLY 13 Ca 0.19 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.38 3jpp h GLY 13 CO 0.52 -0.17 -0.23 -1.33 0.00 0.00 0.00 176.54 175.34 3jpp h GLY 14 N 0.43 -0.43 0.98 4.60 0.00 -1.90 -0.44 103.07 106.31 3jpp h GLY 14 Ca 0.48 0.26 0.01 0.00 0.00 0.00 0.00 47.33 48.08 3jpp h GLY 14 CO -0.46 -0.20 0.16 -2.22 0.00 0.00 0.00 176.54 173.82 3jpp h ILE 15 N -0.43 1.05 -0.54 2.60 2.04 -1.86 -1.33 117.51 119.04 3jpp h ILE 15 Ca 0.02 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 3jpp h ILE 15 Cb 0.44 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3jpp h ILE 15 CO -0.11 0.06 0.04 0.71 0.00 0.00 0.00 178.15 178.85 3jpp h THR 16 N 0.34 1.25 -0.32 -0.27 1.35 -1.25 -0.64 112.91 113.36 3jpp h THR 16 Ca 0.10 -1.01 -0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3jpp h THR 16 Cb -0.03 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.17 3jpp h THR 16 CO -0.03 0.36 0.20 0.44 -0.25 0.00 0.00 175.52 176.24 3jpp h ASP 17 N 0.83 0.38 -0.78 5.36 3.32 -0.84 0.15 116.42 124.85 3jpp h ASP 17 Ca 0.16 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3jpp h ASP 17 Cb 0.44 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 3jpp h ASP 17 CO 0.02 0.31 0.47 -0.03 -1.72 0.00 0.00 179.24 178.29 3jpp h MET 18 N 0.41 0.85 -0.42 3.56 1.85 -0.80 -0.03 114.93 120.35 3jpp h MET 18 Ca 0.11 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 59.04 3jpp h MET 18 Cb -0.00 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.82 3jpp h MET 18 CO -0.02 0.56 -0.18 -0.07 -0.40 0.00 0.00 176.91 176.80 3jpp h LEU 19 N 0.88 0.82 -0.84 3.39 3.38 -0.64 -1.91 115.31 120.38 3jpp h LEU 19 Ca 0.33 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3jpp h LEU 19 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3jpp h LEU 19 CO -0.16 0.99 -0.26 0.74 0.09 0.00 0.00 178.44 179.84 3jpp h THR 20 N 0.71 1.27 -0.43 0.22 2.02 0.21 -0.13 112.91 116.77 3jpp h THR 20 Ca 0.11 -1.32 -0.13 0.00 0.77 0.00 0.00 66.41 65.83 3jpp h THR 20 Cb 0.70 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3jpp h THR 20 CO 0.05 0.43 -0.25 -0.08 0.37 0.00 0.00 175.52 176.04 3jpp h GLU 21 N 0.49 0.91 -0.50 6.66 4.81 -0.82 -1.06 114.58 125.08 3jpp h GLU 21 Ca 0.07 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 58.83 3jpp h GLU 21 Cb 0.71 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3jpp h GLU 21 CO 0.05 1.05 0.03 -0.07 -0.73 0.00 0.00 179.01 179.35 3jpp h LEU 22 N 0.78 0.83 -0.41 1.64 3.38 -1.06 -1.48 115.31 118.99 3jpp h LEU 22 Ca 0.10 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3jpp h LEU 22 Cb 0.81 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3jpp h LEU 22 CO 0.07 0.91 0.22 0.00 0.09 0.00 0.00 178.44 179.73 3jpp h ALA 23 N 0.95 0.52 -0.65 1.53 0.00 -0.78 -1.74 119.26 119.08 3jpp h ALA 23 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3jpp h ALA 23 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3jpp h ALA 23 CO 0.02 0.05 0.34 -0.91 0.00 0.00 0.00 179.25 178.75 3jpp h ASN 24 N 0.52 0.83 -0.40 0.00 2.35 -1.04 -1.22 115.58 116.62 3jpp h ASN 24 Ca 0.14 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3jpp h ASN 24 Cb 0.06 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3jpp h ASN 24 CO -0.02 0.70 0.20 0.15 -1.65 0.00 0.00 177.43 176.80 3jpp h PHE 25 N 0.89 0.36 -0.43 1.19 3.04 -0.97 0.15 116.94 121.19 3jpp h PHE 25 Ca 0.23 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.13 3jpp h PHE 25 Cb 0.06 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 3jpp h PHE 25 CO -0.00 0.19 0.00 0.93 -2.02 0.00 0.00 178.31 177.41 3jpp h GLU 26 N 0.40 0.69 0.06 1.11 4.39 -1.05 0.10 114.58 120.29 3jpp h GLU 26 Ca 0.17 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3jpp h GLU 26 Cb 0.08 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3jpp h GLU 26 CO -0.12 0.70 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.18 3jpp h LYS 27 N 0.65 -0.08 0.12 2.33 3.64 -0.65 0.24 116.57 122.82 3jpp h LYS 27 Ca 0.13 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.28 3jpp h LYS 27 Cb 0.40 0.02 0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3jpp h LYS 27 CO 0.02 0.50 -1.01 -0.91 -2.27 0.00 0.00 179.45 175.78 3jpp h ASN 28 N -0.79 0.68 0.00 4.20 2.35 -0.75 -3.18 115.58 118.09 3jpp h ASN 28 Ca -0.01 -0.87 -0.24 0.00 -0.55 0.00 0.00 56.30 54.64 3jpp h ASN 28 Cb 0.62 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3jpp h ASN 28 CO 0.01 1.48 -1.49 0.52 -1.65 0.00 0.00 177.43 176.31 3jpp n VAL 29 N -3.98 1.51 0.34 2.81 0.31 -0.03 -4.49 118.33 114.80 3jpp n VAL 29 Ca -0.14 -0.07 0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3jpp n VAL 29 Cb 0.89 -2.09 0.27 0.00 -0.91 0.00 0.00 33.84 32.00 3jpp n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3jpp h SER 30 N -1.00 0.00 -6.18 4.52 0.02 -1.39 -3.47 113.55 106.06 3jpp h SER 30 Ca -0.36 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.15 3jpp h SER 30 Cb 1.23 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.78 3jpp h SER 30 CO -0.22 0.00 -0.79 0.00 -1.14 0.00 0.00 176.83 174.69 3jpp n GLN 31 N -2.86 -5.38 -3.70 3.45 6.02 0.52 -4.91 117.38 110.52 3jpp n GLN 31 Ca 0.04 0.62 -0.31 0.00 -0.01 0.00 0.00 57.00 57.35 3jpp n GLN 31 Cb 0.48 -5.37 -0.09 0.00 1.02 0.00 0.00 30.24 26.29 3jpp n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jpp n ALA 32 N -4.51 3.73 -0.24 -1.58 0.00 0.53 -4.96 120.51 113.48 3jpp n ALA 32 Ca -0.12 -4.61 0.21 0.00 0.00 0.00 0.00 53.44 48.91 3jpp n ALA 32 Cb 0.60 -1.24 0.54 0.00 0.00 0.00 0.00 19.45 19.35 3jpp n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3jpp h ILE 33 N 4.00 0.65 -0.09 0.00 6.09 -1.89 -0.86 117.51 125.41 3jpp h ILE 33 Ca 0.17 -0.12 -0.13 0.00 -1.37 0.00 0.00 64.86 63.40 3jpp h ILE 33 Cb 0.74 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.28 3jpp h ILE 33 CO 0.81 0.06 -0.54 0.45 -3.07 0.00 0.00 178.15 175.86 3jpp h HIS 34 N 0.35 0.32 -0.11 2.19 3.86 -1.95 -0.47 115.15 119.34 3jpp h HIS 34 Ca 0.47 -0.11 -0.18 0.00 -1.16 0.00 0.00 60.37 59.39 3jpp h HIS 34 Cb 1.27 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 3jpp h HIS 34 CO -0.00 0.74 -0.69 0.87 0.86 0.00 0.00 177.93 179.71 3jpp h LYS 35 N 0.20 0.49 0.18 2.45 1.57 -1.58 -0.15 116.57 119.73 3jpp h LYS 35 Ca 0.00 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.41 3jpp h LYS 35 Cb 1.02 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 3jpp h LYS 35 CO 0.08 1.00 -0.21 -0.92 -0.57 0.00 0.00 179.45 178.84 3jpp h TYR 36 N 0.35 -0.56 -0.18 -1.35 3.20 -0.91 -0.37 116.97 117.16 3jpp h TYR 36 Ca -0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3jpp h TYR 36 Cb 1.27 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 3jpp h TYR 36 CO 0.05 -0.31 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.14 3jpp h ASN 37 N -0.43 0.31 -0.29 -2.11 2.35 -1.01 -1.44 115.58 112.95 3jpp h ASN 37 Ca 0.01 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3jpp h ASN 37 Cb 0.42 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3jpp h ASN 37 CO -0.07 0.53 0.16 0.00 -1.65 0.00 0.00 177.43 176.39 3jpp h ALA 38 N 1.50 0.37 -0.48 -0.83 0.00 -0.50 -1.23 119.26 118.09 3jpp h ALA 38 Ca 0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3jpp h ALA 38 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3jpp h ALA 38 CO 0.04 -0.10 -0.08 1.88 0.00 0.00 0.00 179.25 180.99 3jpp h TYR 39 N 0.35 0.94 -0.51 0.00 0.05 -0.76 -2.59 116.97 114.45 3jpp h TYR 39 Ca 0.10 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 3jpp h TYR 39 Cb 0.07 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3jpp h TYR 39 CO -0.03 0.90 0.16 0.00 -1.05 0.00 0.00 178.16 178.14 3jpp h ARG 40 N 0.78 0.80 -0.40 4.88 3.08 -1.01 -1.53 114.38 120.98 3jpp h ARG 40 Ca 0.13 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3jpp h ARG 40 Cb 0.58 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3jpp h ARG 40 CO 0.04 0.74 0.21 -0.22 -1.07 0.00 0.00 179.97 179.67 3jpp h LYS 41 N 0.70 0.57 -0.28 0.04 3.64 -1.16 0.11 116.57 120.18 3jpp h LYS 41 Ca 0.17 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3jpp h LYS 41 Cb 0.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3jpp h LYS 41 CO -0.01 0.47 0.11 0.00 -2.27 0.00 0.00 179.45 177.76 3jpp h ALA 42 N 1.06 0.33 -0.44 5.00 0.00 -1.33 0.11 119.26 123.99 3jpp h ALA 42 Ca 0.14 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3jpp h ALA 42 Cb 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3jpp h ALA 42 CO -0.02 -0.29 0.23 0.00 0.00 0.00 0.00 179.25 179.17 3jpp h ALA 43 N 1.17 0.56 -0.02 0.00 0.00 -0.90 -0.07 119.26 119.99 3jpp h ALA 43 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3jpp h ALA 43 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3jpp h ALA 43 CO -0.11 -0.12 0.01 1.03 0.00 0.00 0.00 179.25 180.06 3jpp h SER 44 N 0.46 0.02 -0.90 0.00 0.87 -0.17 0.12 113.55 113.95 3jpp h SER 44 Ca 0.19 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3jpp h SER 44 Cb 0.09 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 3jpp h SER 44 CO -0.13 0.03 0.60 0.58 -0.53 0.00 0.00 176.83 177.38 3jpp h VAL 45 N 0.01 1.23 0.00 2.23 2.07 -0.49 -2.46 116.25 118.84 3jpp h VAL 45 Ca 0.01 -0.42 -0.18 0.00 0.82 0.00 0.00 66.70 66.93 3jpp h VAL 45 Cb 0.02 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 3jpp h VAL 45 CO -0.00 0.22 -0.85 0.40 0.02 0.00 0.00 177.57 177.36 3jpp h ILE 46 N 1.21 1.55 0.00 4.57 2.04 -0.71 -2.63 117.51 123.54 3jpp h ILE 46 Ca 0.33 -2.74 -0.05 0.00 1.00 0.00 0.00 64.86 63.40 3jpp h ILE 46 Cb -0.13 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3jpp h ILE 46 CO -0.07 0.79 -0.22 0.00 0.00 0.00 0.00 178.15 178.65 3jpp h ALA 47 N 1.10 1.06 0.00 1.87 0.00 -0.39 -2.90 119.26 120.00 3jpp h ALA 47 Ca -0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 3jpp h ALA 47 Cb 1.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 3jpp h ALA 47 CO 0.12 0.27 -1.20 -0.22 0.00 0.00 0.00 179.25 178.22 3jpp h LYS 48 N 0.00 0.00 -6.37 0.00 3.64 -1.34 -3.47 116.57 109.03 3jpp h LYS 48 Ca -0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 3jpp h LYS 48 Cb 0.69 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 32.55 3jpp h LYS 48 CO 0.03 0.63 0.90 0.98 -2.27 0.00 0.00 179.45 179.73 3jpp n TYR 49 N -3.15 2.23 1.12 1.91 9.36 -1.00 -4.87 117.16 122.75 3jpp n TYR 49 Ca -0.06 0.20 0.01 0.00 3.32 0.00 0.00 57.90 61.36 3jpp n TYR 49 Cb 0.92 -2.57 0.05 0.00 -0.63 0.00 0.00 39.34 37.10 3jpp n TYR 49 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3jpp n PRO 50 N 4.81 1.38 -4.21 2.98 -0.04 -1.26 -4.85 135.00 133.80 3jpp n PRO 50 Ca 0.20 -0.36 -0.18 0.00 -0.04 0.00 0.00 63.50 63.12 3jpp n PRO 50 Cb 0.27 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 3jpp n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3jpp s HIS 51 N -1.46 1.31 -0.43 0.54 3.76 -1.26 -5.09 115.29 112.66 3jpp s HIS 51 Ca 0.06 -0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 54.15 3jpp s HIS 51 Cb 0.04 -0.71 0.02 0.00 1.11 0.00 0.00 32.58 33.05 3jpp s HIS 51 CO 0.03 0.10 1.18 0.21 -0.85 0.00 0.00 174.74 175.40 3jpp s LYS 52 N -2.37 3.78 0.20 1.40 2.20 -1.26 -4.84 119.74 118.85 3jpp s LYS 52 Ca 0.05 0.76 -0.32 0.00 -0.36 0.00 0.00 55.97 56.09 3jpp s LYS 52 Cb -0.06 -3.89 -0.13 0.00 -1.51 0.00 0.00 37.83 32.24 3jpp s LYS 52 CO 0.02 -1.30 1.68 -0.89 -0.36 0.00 0.00 175.35 174.50 3jpp n ILE 53 N 6.65 0.06 0.53 5.43 5.41 -1.26 -4.91 119.36 131.28 3jpp n ILE 53 Ca 0.13 -0.02 0.08 0.00 1.00 0.00 0.00 62.75 63.94 3jpp n ILE 53 Cb 0.48 -1.86 -0.11 0.00 -0.71 0.00 0.00 39.64 37.44 3jpp n ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3jpp n LYS 54 N 3.71 1.19 -3.57 0.38 5.02 -1.26 -5.05 118.16 118.57 3jpp n LYS 54 Ca 0.16 -0.05 -0.07 0.00 -2.02 0.00 0.00 58.31 56.33 3jpp n LYS 54 Cb 0.33 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3jpp n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jpp s SER 55 N -3.03 -0.32 0.30 4.39 1.04 -1.26 -5.01 113.70 109.81 3jpp s SER 55 Ca 0.02 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3jpp s SER 55 Cb 0.12 0.43 0.47 0.00 0.10 0.00 0.00 66.02 67.14 3jpp s SER 55 CO 0.69 -0.74 1.82 1.23 0.98 0.00 0.00 173.24 177.23 3jpp h GLY 56 N 2.00 0.72 0.93 7.32 0.00 -1.85 -2.04 103.07 110.14 3jpp h GLY 56 Ca -0.24 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.67 3jpp h GLY 56 CO 0.30 0.41 0.27 0.00 0.00 0.00 0.00 176.54 177.52 3jpp h ALA 57 N 1.39 0.55 -0.85 3.60 0.00 -1.95 0.32 119.26 122.31 3jpp h ALA 57 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jpp h ALA 57 Cb 0.37 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3jpp h ALA 57 CO 0.01 -0.04 0.50 1.49 0.00 0.00 0.00 179.25 181.20 3jpp h GLU 58 N 0.54 1.17 -0.10 0.00 4.81 -1.84 -2.60 114.58 116.56 3jpp h GLU 58 Ca 0.17 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 3jpp h GLU 58 Cb -0.01 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3jpp h GLU 58 CO -0.07 0.83 -0.61 0.00 -0.73 0.00 0.00 179.01 178.44 3jpp h ALA 59 N 1.36 0.77 0.00 2.92 0.00 -0.63 -3.09 119.26 120.60 3jpp h ALA 59 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3jpp h ALA 59 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3jpp h ALA 59 CO -0.05 0.72 0.00 1.17 0.00 0.00 0.00 179.25 181.09 3jpp n LYS 60 N -3.89 0.16 0.08 0.00 4.81 0.11 -1.40 118.16 118.03 3jpp n LYS 60 Ca -0.03 0.53 -0.04 0.00 -0.87 0.00 0.00 58.31 57.91 3jpp n LYS 60 Cb 0.63 -1.91 0.17 0.00 0.02 0.00 0.00 35.03 33.93 3jpp n LYS 60 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3jpp h LYS 61 N 0.00 0.26 -6.71 1.64 1.57 -1.52 -3.44 116.57 108.38 3jpp h LYS 61 Ca 0.00 -0.15 -0.52 0.00 -1.87 0.00 0.00 60.65 58.11 3jpp h LYS 61 Cb 0.18 0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.53 3jpp h LYS 61 CO 0.00 0.71 0.59 -0.51 -0.57 0.00 0.00 179.45 179.67 3jpp s LEU 62 N -8.12 4.45 0.07 2.94 1.43 -0.49 -4.96 118.68 114.00 3jpp s LEU 62 Ca -0.04 2.35 -0.31 0.00 -1.03 0.00 0.00 54.13 55.09 3jpp s LEU 62 Cb 0.13 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3jpp s LEU 62 CO 0.79 -0.41 1.55 -2.16 0.23 0.00 0.00 176.35 176.35 3jpp s PRO 63 N -0.52 4.23 0.00 1.29 0.04 -1.26 -2.11 135.00 136.68 3jpp s PRO 63 Ca 0.53 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.79 3jpp s PRO 63 Cb -0.35 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.71 3jpp s PRO 63 CO 0.40 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.20 3jpp n GLY 64 N 3.82 2.09 3.32 0.56 0.00 -1.26 -4.88 105.19 108.84 3jpp n GLY 64 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3jpp n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpp s VAL 65 N -2.27 4.44 0.00 1.61 1.01 -0.90 -4.42 120.40 119.88 3jpp s VAL 65 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.82 3jpp s VAL 65 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3jpp s VAL 65 CO 0.00 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.30 3jpp n GLY 66 N 4.97 1.60 0.19 4.51 0.00 -1.26 -4.43 105.19 110.78 3jpp n GLY 66 Ca -0.11 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 3jpp n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3jpp h THR 67 N 0.00 1.25 -0.00 2.61 2.02 -1.97 -1.88 112.91 114.94 3jpp h THR 67 Ca 0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3jpp h THR 67 Cb 0.00 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3jpp h THR 67 CO 0.00 0.30 0.00 0.11 0.37 0.00 0.00 175.52 176.30 3jpp h LYS 68 N 0.41 0.00 -0.25 6.66 1.79 -2.00 -0.80 116.57 122.39 3jpp h LYS 68 Ca 0.10 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.46 3jpp h LYS 68 Cb 0.41 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 3jpp h LYS 68 CO 0.01 0.02 -0.32 0.82 -1.08 0.00 0.00 179.45 178.91 3jpp h ILE 69 N -0.02 1.28 -0.74 1.86 2.04 -1.95 -2.30 117.51 117.69 3jpp h ILE 69 Ca 0.00 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.45 3jpp h ILE 69 Cb 0.02 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3jpp h ILE 69 CO -0.00 0.44 0.43 0.00 0.00 0.00 0.00 178.15 179.02 3jpp h ALA 70 N 1.22 0.94 -0.38 1.87 0.00 -1.10 0.15 119.26 121.97 3jpp h ALA 70 Ca 0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3jpp h ALA 70 Cb 0.77 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3jpp h ALA 70 CO 0.06 0.43 0.23 0.93 0.00 0.00 0.00 179.25 180.90 3jpp h GLU 71 N 1.01 0.51 -0.78 0.00 5.08 -0.84 -2.07 114.58 117.49 3jpp h GLU 71 Ca 0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3jpp h GLU 71 Cb -0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3jpp h GLU 71 CO -0.05 0.38 0.42 0.87 -1.00 0.00 0.00 179.01 179.63 3jpp h LYS 72 N 0.50 1.08 -0.46 2.33 1.57 -0.84 -1.93 116.57 118.81 3jpp h LYS 72 Ca 0.14 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3jpp h LYS 72 Cb 0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3jpp h LYS 72 CO -0.03 0.80 0.03 0.82 -0.57 0.00 0.00 179.45 180.50 3jpp h ILE 73 N 1.09 1.23 -0.34 1.86 2.04 -0.65 -0.22 117.51 122.52 3jpp h ILE 73 Ca 0.27 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 3jpp h ILE 73 Cb 0.04 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3jpp h ILE 73 CO -0.04 0.32 0.07 0.44 0.00 0.00 0.00 178.15 178.94 3jpp h ASP 74 N 0.70 0.53 -0.50 1.72 3.32 -0.68 -0.41 116.42 121.10 3jpp h ASP 74 Ca 0.14 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3jpp h ASP 74 Cb 0.39 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3jpp h ASP 74 CO 0.01 0.64 0.30 -0.08 -1.72 0.00 0.00 179.24 178.39 3jpp h GLU 75 N 0.39 0.68 -0.45 3.56 4.81 -1.02 -0.09 114.58 122.45 3jpp h GLU 75 Ca 0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3jpp h GLU 75 Cb 0.33 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3jpp h GLU 75 CO 0.00 0.50 0.21 0.35 -0.73 0.00 0.00 179.01 179.34 3jpp h PHE 76 N 0.67 0.66 -0.37 0.92 3.57 -0.83 0.50 116.94 122.06 3jpp h PHE 76 Ca 0.18 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3jpp h PHE 76 Cb -0.01 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 3jpp h PHE 76 CO -0.03 0.54 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.38 3jpp h LEU 77 N 0.59 0.66 -0.07 0.59 3.38 -0.89 0.70 115.31 120.26 3jpp h LEU 77 Ca 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3jpp h LEU 77 Cb 0.14 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3jpp h LEU 77 CO -0.02 0.82 -0.04 0.00 0.09 0.00 0.00 178.44 179.30 3jpp h ALA 78 N 1.24 0.10 0.00 1.53 0.00 -0.63 -3.39 119.26 118.12 3jpp h ALA 78 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3jpp h ALA 78 Cb 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3jpp h ALA 78 CO 0.04 -0.14 -1.32 0.25 0.00 0.00 0.00 179.25 178.07 3jpp n THR 79 N -4.77 0.00 -0.56 0.00 -2.24 0.13 -5.00 114.28 101.84 3jpp n THR 79 Ca -0.07 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3jpp n THR 79 Cb 0.26 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3jpp n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jpp n GLY 80 N 1.71 0.70 3.83 3.38 0.00 0.24 -5.02 105.19 110.03 3jpp n GLY 80 Ca -0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 3jpp n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jpp s LYS 81 N -0.61 1.95 -0.09 1.61 -2.85 -1.24 -5.03 119.74 113.48 3jpp s LYS 81 Ca 0.00 -1.23 -0.00 0.00 -1.00 0.00 0.00 55.97 53.73 3jpp s LYS 81 Cb 0.00 0.56 0.02 0.00 -2.06 0.00 0.00 37.83 36.35 3jpp s LYS 81 CO 0.00 -0.91 -0.06 -1.17 0.10 0.00 0.00 175.35 173.31 3jpp s LEU 82 N -3.13 1.07 0.24 2.77 2.96 -1.26 -3.63 118.68 117.71 3jpp s LEU 82 Ca 0.16 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3jpp s LEU 82 Cb -0.04 -0.69 0.33 0.00 0.50 0.00 0.00 46.19 46.28 3jpp s LEU 82 CO 0.09 -0.12 1.84 0.03 -1.32 0.00 0.00 176.35 176.87 3jpp h ARG 83 N 8.02 0.89 -0.80 1.98 3.08 -1.99 -1.11 114.38 124.45 3jpp h ARG 83 Ca -0.28 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 59.84 3jpp h ARG 83 Cb 1.14 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.90 3jpp h ARG 83 CO 0.38 0.59 0.41 -0.22 -1.07 0.00 0.00 179.97 180.06 3jpp h LYS 84 N 0.92 0.62 -0.10 0.04 3.64 -2.00 -1.34 116.57 118.36 3jpp h LYS 84 Ca 0.37 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3jpp h LYS 84 Cb 0.20 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3jpp h LYS 84 CO -0.18 0.41 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.09 3jpp h LEU 85 N 0.64 0.39 -0.83 5.20 3.38 -1.80 -2.53 115.31 119.75 3jpp h LEU 85 Ca 0.42 -0.59 0.20 0.00 0.09 0.00 0.00 57.88 58.00 3jpp h LEU 85 Cb 0.52 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 3jpp h LEU 85 CO -0.32 0.90 0.29 -0.33 0.09 0.00 0.00 178.44 179.07 3jpp h GLU 86 N -0.11 0.32 -0.34 1.13 4.39 -0.52 0.18 114.58 119.63 3jpp h GLU 86 Ca -0.00 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 3jpp h GLU 86 Cb 0.86 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 3jpp h GLU 86 CO 0.05 0.21 -0.20 -0.22 -1.16 0.00 0.00 179.01 177.70 3jpp h LYS 87 N 0.33 0.74 -0.80 2.33 3.64 -1.28 -2.75 116.57 118.78 3jpp h LYS 87 Ca 0.50 -0.34 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3jpp h LYS 87 Cb 0.92 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 3jpp h LYS 87 CO -0.54 0.95 0.49 0.82 -2.27 0.00 0.00 179.45 178.90 3jpp h ILE 88 N 0.52 1.22 -0.33 2.00 2.04 -0.46 -1.92 117.51 120.58 3jpp h ILE 88 Ca 0.07 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3jpp h ILE 88 Cb 0.74 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3jpp h ILE 88 CO 0.06 0.23 0.12 0.03 0.00 0.00 0.00 178.15 178.58 3jpp h ARG 89 N 1.10 0.46 0.00 2.37 3.08 -0.65 -2.28 114.38 118.46 3jpp h ARG 89 Ca 0.29 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3jpp h ARG 89 Cb -0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3jpp h ARG 89 CO -0.06 0.40 -0.26 1.96 -1.07 0.00 0.00 179.97 180.95 3jpp h GLN 90 N 0.46 0.00 -6.23 0.04 4.20 -1.08 -3.44 115.11 109.06 3jpp h GLN 90 Ca 0.11 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.26 3jpp h GLN 90 Cb 0.12 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3jpp h GLN 90 CO -0.01 0.26 1.01 0.34 -0.67 0.00 0.00 178.83 179.76 3jpp s ASP 91 N -6.30 6.72 0.12 1.46 2.15 -0.79 -4.92 116.67 115.11 3jpp s ASP 91 Ca 0.04 1.80 -0.19 0.00 0.43 0.00 0.00 52.55 54.64 3jpp s ASP 91 Cb 0.07 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 3jpp s ASP 91 CO 0.69 -0.94 1.72 0.44 -0.17 0.00 0.00 175.17 176.91 3jpp h ASP 92 N 9.24 0.33 0.19 -0.34 3.32 -1.85 -1.48 116.42 125.81 3jpp h ASP 92 Ca -0.32 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 3jpp h ASP 92 Cb 1.14 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3jpp h ASP 92 CO 0.98 0.32 -0.13 0.74 -1.72 0.00 0.00 179.24 179.43 3jpp h THR 93 N 0.31 0.73 -0.58 0.35 2.02 -1.94 0.10 112.91 113.89 3jpp h THR 93 Ca 0.09 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.33 3jpp h THR 93 Cb 0.07 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 3jpp h THR 93 CO -0.01 0.00 0.29 0.28 0.37 0.00 0.00 175.52 176.44 3jpp h SER 94 N -0.31 0.40 -0.28 4.18 0.02 -1.85 0.80 113.55 116.51 3jpp h SER 94 Ca -0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3jpp h SER 94 Cb 0.27 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3jpp h SER 94 CO 0.01 0.26 0.13 0.28 -1.14 0.00 0.00 176.83 176.37 3jpp h SER 95 N 0.54 0.36 -0.38 3.07 0.02 -1.00 0.31 113.55 116.47 3jpp h SER 95 Ca 0.27 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3jpp h SER 95 Cb 0.21 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3jpp h SER 95 CO -0.20 0.38 0.16 0.28 -1.14 0.00 0.00 176.83 176.32 3jpp h SER 96 N 0.32 0.52 -0.46 3.07 0.02 -0.40 -0.54 113.55 116.08 3jpp h SER 96 Ca 0.10 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 3jpp h SER 96 Cb 0.12 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3jpp h SER 96 CO -0.01 0.53 0.22 0.40 -1.14 0.00 0.00 176.83 176.83 3jpp h ILE 97 N 0.47 1.18 -0.36 3.27 2.04 -0.72 -0.93 117.51 122.47 3jpp h ILE 97 Ca 0.13 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.48 3jpp h ILE 97 Cb 0.17 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3jpp h ILE 97 CO -0.01 0.20 0.23 0.78 0.00 0.00 0.00 178.15 179.35 3jpp h ASN 98 N 0.60 0.40 0.17 1.72 2.35 -0.75 -2.59 115.58 117.49 3jpp h ASN 98 Ca 0.16 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3jpp h ASN 98 Cb 0.11 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3jpp h ASN 98 CO -0.02 0.29 -0.12 0.15 -1.65 0.00 0.00 177.43 176.08 3jpp h PHE 99 N 0.48 -0.31 -0.80 1.19 3.57 -0.75 -2.93 116.94 117.39 3jpp h PHE 99 Ca 0.13 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 3jpp h PHE 99 Cb -0.05 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3jpp h PHE 99 CO -0.05 -0.19 0.52 -0.07 -2.23 0.00 0.00 178.31 176.28 3jpp h LEU 100 N -0.29 0.65 -0.25 0.59 3.38 -1.08 -0.44 115.31 117.87 3jpp h LEU 100 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3jpp h LEU 100 Cb 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3jpp h LEU 100 CO -0.00 0.38 0.00 0.35 0.09 0.00 0.00 178.44 179.26 3jpp n THR 101 N -4.51 1.48 0.81 0.22 -2.24 -0.98 -1.35 114.28 107.72 3jpp n THR 101 Ca 0.13 0.44 0.13 0.00 -2.27 0.00 0.00 64.05 62.48 3jpp n THR 101 Cb 0.34 -1.36 0.52 0.00 -2.10 0.00 0.00 70.33 67.73 3jpp n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3jpp n ARG 102 N -1.66 0.08 -2.87 -0.78 1.74 -0.17 -4.66 116.66 108.34 3jpp n ARG 102 Ca 0.01 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 3jpp n ARG 102 Cb 0.07 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 3jpp n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jpp s VAL 103 N -3.05 4.92 0.08 1.55 1.01 -0.45 -4.98 120.40 119.48 3jpp s VAL 103 Ca 0.12 1.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.51 3jpp s VAL 103 Cb 0.16 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3jpp s VAL 103 CO 0.51 0.12 1.77 -0.55 0.00 0.00 0.00 175.10 176.96 3jpp s SER 104 N 1.01 6.50 0.00 3.32 0.15 -1.26 -1.58 113.70 121.84 3jpp s SER 104 Ca 0.42 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.70 3jpp s SER 104 Cb -0.18 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3jpp s SER 104 CO 0.18 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.27 3jpp n GLY 105 N 4.18 2.77 3.43 9.45 0.00 -1.26 -3.92 105.19 119.84 3jpp n GLY 105 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3jpp n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpp s ILE 106 N -2.44 4.81 0.21 -0.61 1.01 -0.62 -4.71 121.20 118.85 3jpp s ILE 106 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.09 3jpp s ILE 106 Cb 0.00 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 38.93 3jpp s ILE 106 CO 0.00 -0.12 0.30 0.61 0.00 0.00 0.00 174.94 175.73 3jpp n GLY 107 N 5.04 1.83 0.29 6.18 0.00 -1.26 -4.31 105.19 112.95 3jpp n GLY 107 Ca -0.12 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 43.79 3jpp n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jpp h PRO 108 N 0.00 0.56 -0.02 1.61 0.11 -1.86 -0.03 132.00 132.36 3jpp h PRO 108 Ca -0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3jpp h PRO 108 Cb 0.45 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 3jpp h PRO 108 CO 0.14 0.37 -0.00 1.03 -0.21 0.00 0.00 178.00 179.33 3jpp h SER 109 N 0.57 0.03 -0.70 -2.05 0.87 -1.95 -1.24 113.55 109.09 3jpp h SER 109 Ca 0.41 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3jpp h SER 109 Cb 0.53 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 3jpp h SER 109 CO -0.34 0.35 0.33 0.00 -0.53 0.00 0.00 176.83 176.64 3jpp h ALA 110 N 0.69 1.22 0.10 6.23 0.00 -1.88 -0.55 119.26 125.07 3jpp h ALA 110 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3jpp h ALA 110 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3jpp h ALA 110 CO 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 179.25 179.79 3jpp h ALA 111 N 1.33 -0.13 -0.20 0.00 0.00 -0.90 -0.41 119.26 118.96 3jpp h ALA 111 Ca 0.25 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3jpp h ALA 111 Cb 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3jpp h ALA 111 CO -0.03 -0.51 -0.02 -0.09 0.00 0.00 0.00 179.25 178.60 3jpp h ARG 112 N -0.24 0.29 -0.14 0.00 2.43 -0.98 -1.44 114.38 114.29 3jpp h ARG 112 Ca -0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3jpp h ARG 112 Cb 0.20 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3jpp h ARG 112 CO 0.02 0.33 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.54 3jpp h LYS 113 N 0.28 0.28 -0.81 0.20 3.64 -0.73 -2.30 116.57 117.14 3jpp h LYS 113 Ca 0.07 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3jpp h LYS 113 Cb 0.23 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3jpp h LYS 113 CO 0.01 0.59 0.53 0.74 -2.27 0.00 0.00 179.45 179.05 3jpp h PHE 114 N -0.04 1.02 0.00 1.91 0.04 -0.72 -0.65 116.94 118.49 3jpp h PHE 114 Ca 0.03 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3jpp h PHE 114 Cb 0.50 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 3jpp h PHE 114 CO 0.06 0.65 -0.09 0.28 -0.60 0.00 0.00 178.31 178.61 3jpp h VAL 115 N 1.09 0.98 0.00 -0.55 2.07 -1.19 0.74 116.25 119.39 3jpp h VAL 115 Ca 0.29 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3jpp h VAL 115 Cb -0.12 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3jpp h VAL 115 CO -0.06 0.08 -0.42 0.44 0.02 0.00 0.00 177.57 177.64 3jpp h ASP 116 N 0.00 0.00 -0.21 0.57 3.32 -0.54 -2.54 116.42 117.02 3jpp h ASP 116 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jpp h ASP 116 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3jpp h ASP 116 CO 0.01 0.42 0.00 -0.62 -1.72 0.00 0.00 179.24 177.33 3jpp n GLU 117 N -3.71 1.87 -0.85 3.56 1.02 -0.12 -4.91 120.64 117.50 3jpp n GLU 117 Ca -0.01 -1.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 3jpp n GLU 117 Cb 0.50 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3jpp n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jpp n GLY 118 N 1.20 0.64 3.44 0.62 0.00 -0.86 -5.00 105.19 105.22 3jpp n GLY 118 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3jpp n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jpp s ILE 119 N -2.31 4.80 0.00 -0.61 1.01 0.06 -4.84 121.20 119.31 3jpp s ILE 119 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3jpp s ILE 119 Cb 0.00 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3jpp s ILE 119 CO 0.00 -0.93 0.28 0.29 0.00 0.00 0.00 174.94 174.57 3jpp n LYS 120 N 6.39 -0.25 -4.34 2.79 5.02 -1.26 -3.06 118.16 123.45 3jpp n LYS 120 Ca -0.06 -0.30 -0.17 0.00 -2.02 0.00 0.00 58.31 55.75 3jpp n LYS 120 Cb 0.45 -0.72 -0.10 0.00 -0.02 0.00 0.00 35.03 34.63 3jpp n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3jpp s THR 121 N -0.05 0.71 0.21 -0.18 -4.23 -1.26 -4.84 115.64 106.00 3jpp s THR 121 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.41 3jpp s THR 121 Cb 0.00 -2.62 0.16 0.00 1.34 0.00 0.00 72.50 71.38 3jpp s THR 121 CO 0.00 -0.05 1.86 0.25 -0.54 0.00 0.00 174.62 176.14 3jpp h LEU 122 N 2.36 0.78 -0.42 4.79 5.85 -1.99 -0.37 115.31 126.31 3jpp h LEU 122 Ca -0.39 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.35 3jpp h LEU 122 Cb 1.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3jpp h LEU 122 CO 0.63 0.55 0.25 -0.08 -0.34 0.00 0.00 178.44 179.44 3jpp h GLU 123 N 0.93 0.49 -0.42 1.25 4.81 -2.00 -1.83 114.58 117.80 3jpp h GLU 123 Ca 0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3jpp h GLU 123 Cb -0.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3jpp h GLU 123 CO -0.10 0.32 0.28 -0.44 -0.73 0.00 0.00 179.01 178.34 3jpp h ASP 124 N 0.50 0.49 -0.69 1.04 3.32 -1.66 -2.42 116.42 117.00 3jpp h ASP 124 Ca 0.17 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.22 3jpp h ASP 124 Cb 0.01 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3jpp h ASP 124 CO -0.08 0.36 0.45 -0.07 -1.72 0.00 0.00 179.24 178.17 3jpp h LEU 125 N 0.57 0.76 -0.48 1.55 3.38 -0.81 -2.52 115.31 117.76 3jpp h LEU 125 Ca 0.16 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3jpp h LEU 125 Cb -0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3jpp h LEU 125 CO -0.03 0.54 0.30 0.03 0.09 0.00 0.00 178.44 179.36 3jpp h ARG 126 N 0.90 0.59 -0.05 1.13 3.08 -1.03 -1.63 114.38 117.36 3jpp h ARG 126 Ca 0.26 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3jpp h ARG 126 Cb -0.05 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3jpp h ARG 126 CO -0.08 0.39 0.00 0.36 -1.07 0.00 0.00 179.97 179.57 3jpp n LYS 127 N -4.79 1.13 -0.69 0.04 2.85 -0.94 -3.31 118.16 112.46 3jpp n LYS 127 Ca 0.02 -0.20 0.05 0.00 -1.05 0.00 0.00 58.31 57.13 3jpp n LYS 127 Cb 0.05 -1.14 0.08 0.00 -0.65 0.00 0.00 35.03 33.37 3jpp n LYS 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3jpp n ASN 128 N -0.42 1.16 -0.33 -5.58 3.02 -0.65 -4.84 115.26 107.62 3jpp n ASN 128 Ca 0.06 -2.64 0.29 0.00 -0.03 0.00 0.00 54.58 52.26 3jpp n ASN 128 Cb 0.07 -0.35 0.63 0.00 -0.61 0.00 0.00 39.78 39.52 3jpp n ASN 128 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3jpp h GLU 129 N 0.47 0.19 -0.81 3.52 5.08 -1.45 0.26 114.58 121.84 3jpp h GLU 129 Ca -0.06 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.49 3jpp h GLU 129 Cb 1.36 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.52 3jpp h GLU 129 CO 0.03 0.12 0.56 0.38 -1.00 0.00 0.00 179.01 179.10 3jpp h ASP 130 N 0.19 0.22 -0.33 1.42 2.03 -1.89 -0.23 116.42 117.83 3jpp h ASP 130 Ca 0.59 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.91 3jpp h ASP 130 Cb 1.91 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 40.39 3jpp h ASP 130 CO -0.17 0.09 0.00 0.29 -1.03 0.00 0.00 179.24 178.42 3jpp n LYS 131 N -4.41 2.17 -4.50 4.15 5.02 0.93 -4.90 118.16 116.62 3jpp n LYS 131 Ca 0.17 -1.36 -0.32 0.00 -2.02 0.00 0.00 58.31 54.77 3jpp n LYS 131 Cb 0.73 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 34.17 3jpp n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3jpp s LEU 132 N -1.11 3.17 1.01 -0.35 1.43 -0.10 -5.13 118.68 117.61 3jpp s LEU 132 Ca 0.25 -0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 3jpp s LEU 132 Cb 0.15 -1.79 0.23 0.00 0.03 0.00 0.00 46.19 44.81 3jpp s LEU 132 CO 0.13 0.30 1.34 0.54 0.23 0.00 0.00 176.35 178.89 3jpp s ASN 133 N -1.28 2.64 0.11 2.29 2.20 -1.26 -4.77 114.94 114.86 3jpp s ASN 133 Ca 0.16 0.18 -0.26 0.00 -0.94 0.00 0.00 52.86 52.00 3jpp s ASN 133 Cb -0.11 -0.13 -0.09 0.00 -2.00 0.00 0.00 41.25 38.92 3jpp s ASN 133 CO 0.06 -3.02 1.65 -0.74 -2.94 0.00 0.00 177.10 172.11 3jpp h HIS 134 N -1.84 -0.58 -0.04 1.54 -0.00 -1.98 -1.66 115.15 110.58 3jpp h HIS 134 Ca -0.44 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 59.98 3jpp h HIS 134 Cb 1.22 0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 28.83 3jpp h HIS 134 CO -1.57 -0.32 -0.20 1.25 -0.00 0.00 0.00 177.93 177.09 3jpp h HIS 135 N -0.41 -0.53 -0.54 5.26 -0.00 -1.89 -1.56 115.15 115.47 3jpp h HIS 135 Ca 0.03 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 3jpp h HIS 135 Cb 0.43 0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 28.06 3jpp h HIS 135 CO -0.21 -0.29 0.36 1.96 -0.00 0.00 0.00 177.93 179.76 3jpp h GLN 136 N -0.30 0.42 -0.40 5.26 4.20 -1.65 -0.39 115.11 122.25 3jpp h GLN 136 Ca 0.07 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3jpp h GLN 136 Cb 0.40 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3jpp h GLN 136 CO -0.22 0.28 -0.09 -0.09 -0.67 0.00 0.00 178.83 178.04 3jpp h ARG 137 N 0.43 0.77 -0.01 1.46 2.43 -0.37 -1.24 114.38 117.85 3jpp h ARG 137 Ca 0.24 -0.29 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 3jpp h ARG 137 Cb 0.39 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3jpp h ARG 137 CO -0.06 0.90 -0.62 0.82 -1.51 0.00 0.00 179.97 179.50 3jpp h ILE 138 N 0.58 1.44 -0.54 1.20 1.08 -0.57 -2.20 117.51 118.51 3jpp h ILE 138 Ca 0.10 -2.10 -0.05 0.00 -0.39 0.00 0.00 64.86 62.42 3jpp h ILE 138 Cb 0.61 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 36.46 3jpp h ILE 138 CO 0.04 0.60 0.15 1.23 -0.69 0.00 0.00 178.15 179.48 3jpp h GLY 139 N 1.79 0.91 0.88 5.37 0.00 -0.80 -2.32 103.07 108.90 3jpp h GLY 139 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 3jpp h GLY 139 CO 0.08 0.52 -0.10 -2.00 0.00 0.00 0.00 176.54 175.04 3jpp h LEU 140 N 0.75 0.58 -0.77 3.11 5.85 -1.14 -1.25 115.31 122.44 3jpp h LEU 140 Ca 0.17 -0.39 0.13 0.00 0.84 0.00 0.00 57.88 58.64 3jpp h LEU 140 Cb 0.31 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 3jpp h LEU 140 CO -0.00 0.83 0.34 0.50 -0.34 0.00 0.00 178.44 179.77 3jpp h LYS 141 N 0.32 0.50 -0.45 1.25 3.64 -1.25 -2.30 116.57 118.29 3jpp h LYS 141 Ca 0.07 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 3jpp h LYS 141 Cb 0.60 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 3jpp h LYS 141 CO 0.03 0.33 0.07 0.66 -2.27 0.00 0.00 179.45 178.28 3jpp n TYR 142 N -4.94 1.52 -0.20 1.91 4.01 -0.89 -4.76 117.16 113.81 3jpp n TYR 142 Ca 0.14 -1.11 -0.04 0.00 -0.16 0.00 0.00 57.90 56.74 3jpp n TYR 142 Cb 0.39 -0.48 0.02 0.00 -0.31 0.00 0.00 39.34 38.97 3jpp n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3jpp h PHE 143 N 2.06 -0.78 0.04 -0.72 3.57 -0.62 0.12 116.94 120.61 3jpp h PHE 143 Ca 0.12 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3jpp h PHE 143 Cb 1.80 0.43 0.00 0.00 2.79 0.00 0.00 35.95 40.97 3jpp h PHE 143 CO 0.88 -0.36 -0.02 0.78 -2.23 0.00 0.00 178.31 177.36 3jpp h GLY 144 N -0.13 -0.05 0.90 2.40 0.00 -1.85 -3.14 103.07 101.19 3jpp h GLY 144 Ca 0.25 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.62 3jpp h GLY 144 CO -0.67 -0.02 0.40 -0.55 0.00 0.00 0.00 176.54 175.70 3jpp h ASP 145 N -0.11 0.65 0.30 0.19 3.32 -1.69 -2.15 116.42 116.94 3jpp h ASP 145 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3jpp h ASP 145 Cb 0.10 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3jpp h ASP 145 CO 0.01 0.46 0.00 0.49 -1.72 0.00 0.00 179.24 178.48 3jpp n PHE 146 N -4.70 0.43 0.13 4.55 3.72 -0.04 -1.16 117.46 120.38 3jpp n PHE 146 Ca 0.06 0.20 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 3jpp n PHE 146 Cb 0.07 -0.81 0.03 0.00 -0.94 0.00 0.00 39.48 37.82 3jpp n PHE 146 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3jpp h GLU 147 N 0.00 0.00 -7.08 -1.08 4.39 -1.34 -3.47 114.58 106.01 3jpp h GLU 147 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3jpp h GLU 147 Cb 0.15 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3jpp h GLU 147 CO 0.00 0.25 0.40 0.15 -1.16 0.00 0.00 179.01 178.65 3jpp s LYS 148 N -3.08 3.67 0.51 2.33 1.02 -0.31 -5.05 119.74 118.82 3jpp s LYS 148 Ca 0.02 1.43 -0.05 0.00 0.02 0.00 0.00 55.97 57.39 3jpp s LYS 148 Cb 0.08 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 3jpp s LYS 148 CO 0.75 -0.55 0.82 1.03 -0.92 0.00 0.00 175.35 176.47 3jpp s ARG 149 N -3.26 3.41 -0.28 1.68 1.81 -1.26 -4.89 118.95 116.16 3jpp s ARG 149 Ca 0.69 0.17 -0.04 0.00 -1.72 0.00 0.00 55.73 54.83 3jpp s ARG 149 Cb -0.18 -2.35 0.02 0.00 -0.45 0.00 0.00 34.95 31.99 3jpp s ARG 149 CO 0.22 -0.32 0.01 0.42 -0.68 0.00 0.00 175.30 174.95 3jpp s ILE 150 N -2.81 3.32 0.39 1.52 1.01 0.92 -4.94 121.20 120.62 3jpp s ILE 150 Ca 0.49 -0.97 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 3jpp s ILE 150 Cb -0.10 -2.74 -0.10 0.00 0.01 0.00 0.00 42.46 39.53 3jpp s ILE 150 CO 0.45 0.09 1.42 -2.84 0.00 0.00 0.00 174.94 174.06 3jpp s PRO 151 N 1.38 4.01 0.47 2.79 0.02 -1.26 -0.58 135.00 141.82 3jpp s PRO 151 Ca 0.00 2.43 0.20 0.00 0.02 0.00 0.00 61.00 63.66 3jpp s PRO 151 Cb -0.17 -2.87 1.20 0.00 0.02 0.00 0.00 34.50 32.68 3jpp s PRO 151 CO -0.01 -0.56 1.94 -0.09 -0.33 0.00 0.00 177.00 177.95 3jpp h ARG 152 N 2.82 0.23 -0.62 5.54 2.43 -1.63 0.27 114.38 123.43 3jpp h ARG 152 Ca -0.50 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3jpp h ARG 152 Cb 1.25 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3jpp h ARG 152 CO 0.63 0.16 0.34 1.49 -1.51 0.00 0.00 179.97 181.07 3jpp h GLU 153 N 0.24 0.85 -0.07 0.20 4.81 -1.89 -0.08 114.58 118.64 3jpp h GLU 153 Ca 0.34 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 59.27 3jpp h GLU 153 Cb 0.99 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3jpp h GLU 153 CO -0.07 0.63 -0.83 0.93 -0.73 0.00 0.00 179.01 178.94 3jpp h GLU 154 N 0.86 0.54 -0.91 1.92 5.08 -0.84 -2.85 114.58 118.38 3jpp h GLU 154 Ca 0.22 -0.49 0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3jpp h GLU 154 Cb 0.03 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3jpp h GLU 154 CO -0.04 1.12 0.60 0.52 -1.00 0.00 0.00 179.01 180.21 3jpp h MET 155 N 0.35 1.09 -0.75 2.33 2.86 -0.60 0.03 114.93 120.23 3jpp h MET 155 Ca -0.06 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3jpp h MET 155 Cb 1.44 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 3jpp h MET 155 CO 0.15 0.72 0.27 -0.07 1.06 0.00 0.00 176.91 179.04 3jpp h LEU 156 N 1.12 1.06 -0.55 1.22 3.38 -0.92 0.15 115.31 120.78 3jpp h LEU 156 Ca 0.36 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3jpp h LEU 156 Cb 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3jpp h LEU 156 CO -0.11 0.96 -0.32 1.56 0.09 0.00 0.00 178.44 180.62 3jpp h GLN 157 N 1.11 0.82 -0.45 1.13 4.20 -1.06 -2.17 115.11 118.68 3jpp h GLN 157 Ca 0.25 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3jpp h GLN 157 Cb 0.26 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 3jpp h GLN 157 CO -0.01 1.03 0.09 0.52 -0.67 0.00 0.00 178.83 179.78 3jpp h MET 158 N 0.69 0.74 -0.52 1.46 2.86 -0.59 -2.32 114.93 117.25 3jpp h MET 158 Ca 0.07 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3jpp h MET 158 Cb 0.87 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 3jpp h MET 158 CO 0.08 0.75 0.30 0.37 1.06 0.00 0.00 176.91 179.47 3jpp h GLN 159 N 0.61 0.57 -0.31 1.72 4.15 -0.61 -0.74 115.11 120.50 3jpp h GLN 159 Ca 0.14 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.56 3jpp h GLN 159 Cb 0.36 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 3jpp h GLN 159 CO 0.01 0.38 0.10 0.22 -1.93 0.00 0.00 178.83 177.60 3jpp h ASP 160 N 0.59 0.11 0.02 -0.69 -0.00 -1.20 -0.16 116.42 115.09 3jpp h ASP 160 Ca 0.21 0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.28 3jpp h ASP 160 Cb 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.41 3jpp h ASP 160 CO -0.11 0.10 -0.01 0.40 -0.00 0.00 0.00 179.24 179.61 3jpp h ILE 161 N 0.23 1.13 -0.13 2.25 2.04 -1.12 -2.21 117.51 119.71 3jpp h ILE 161 Ca 0.14 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3jpp h ILE 161 Cb 0.11 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3jpp h ILE 161 CO -0.15 0.12 0.05 0.58 0.00 0.00 0.00 178.15 178.75 3jpp h VAL 162 N -0.24 0.98 -0.40 1.67 2.07 -0.89 0.94 116.25 120.38 3jpp h VAL 162 Ca -0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3jpp h VAL 162 Cb 0.23 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3jpp h VAL 162 CO 0.01 0.02 0.14 -0.07 0.02 0.00 0.00 177.57 177.68 3jpp h LEU 163 N 0.11 0.57 -0.67 2.57 4.07 -1.08 -0.83 115.31 120.05 3jpp h LEU 163 Ca 0.05 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 57.78 3jpp h LEU 163 Cb 0.02 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 3jpp h LEU 163 CO -0.05 0.61 0.24 0.78 -1.08 0.00 0.00 178.44 178.93 3jpp h ASN 164 N 0.50 0.95 -0.51 -0.43 2.35 -1.23 0.11 115.58 117.32 3jpp h ASN 164 Ca 0.13 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 3jpp h ASN 164 Cb 0.23 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3jpp h ASN 164 CO -0.01 0.89 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.21 3jpp h GLU 165 N 0.96 1.00 -0.45 0.81 4.39 -0.68 -1.51 114.58 119.10 3jpp h GLU 165 Ca 0.22 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3jpp h GLU 165 Cb 0.26 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3jpp h GLU 165 CO -0.01 1.05 0.17 0.28 -1.16 0.00 0.00 179.01 179.34 3jpp h VAL 166 N 0.89 1.21 -0.96 3.13 2.07 -0.90 -2.43 116.25 119.26 3jpp h VAL 166 Ca 0.14 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 67.07 3jpp h VAL 166 Cb 0.68 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 3jpp h VAL 166 CO 0.05 0.25 0.62 0.50 0.02 0.00 0.00 177.57 179.00 3jpp h LYS 167 N 0.59 1.03 -0.09 1.57 3.64 -0.44 -1.69 116.57 121.19 3jpp h LYS 167 Ca 0.15 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3jpp h LYS 167 Cb 0.22 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3jpp h LYS 167 CO -0.01 0.68 -0.16 0.87 -2.27 0.00 0.00 179.45 178.56 3jpp h LYS 168 N 1.06 0.14 0.02 1.90 1.57 -0.80 -3.07 116.57 117.40 3jpp h LYS 168 Ca 0.43 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3jpp h LYS 168 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3jpp h LYS 168 CO -0.18 0.31 -0.01 0.28 -0.57 0.00 0.00 179.45 179.28 3jpp h VAL 169 N 0.14 1.42 -2.10 0.50 2.07 -1.08 -3.45 116.25 113.75 3jpp h VAL 169 Ca 0.03 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.11 3jpp h VAL 169 Cb 0.37 2.40 -0.22 0.00 -1.52 0.00 0.00 31.29 32.32 3jpp h VAL 169 CO 0.02 0.37 -0.20 -0.62 0.02 0.00 0.00 177.57 177.16 3jpp s ASP 170 N -5.80 -0.91 0.59 0.57 -1.08 -1.02 -5.03 116.67 103.99 3jpp s ASP 170 Ca -0.16 1.39 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 3jpp s ASP 170 Cb 0.00 2.04 1.49 0.00 -1.46 0.00 0.00 42.92 44.99 3jpp s ASP 170 CO 0.65 -0.23 1.91 0.77 0.52 0.00 0.00 175.17 178.79 3jpp h SER 171 N 8.05 0.00 0.22 -0.34 4.64 -1.79 -1.75 113.55 122.57 3jpp h SER 171 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3jpp h SER 171 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3jpp h SER 171 CO 0.11 0.00 -0.02 -0.62 -0.87 0.00 0.00 176.83 175.43 3jpp n GLU 172 N -3.72 0.85 -2.47 4.77 1.02 -1.26 -4.85 120.64 114.97 3jpp n GLU 172 Ca 0.08 -0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.73 3jpp n GLU 172 Cb 0.65 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 3jpp n GLU 172 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3jpp s TYR 173 N -2.24 3.09 -0.19 -0.32 2.02 -0.66 -4.41 117.35 114.65 3jpp s TYR 173 Ca 0.38 1.60 -0.01 0.00 -0.37 0.00 0.00 57.07 58.68 3jpp s TYR 173 Cb 0.21 -3.17 0.05 0.00 -0.40 0.00 0.00 41.96 38.65 3jpp s TYR 173 CO 0.41 -0.90 -0.03 0.42 -1.57 0.00 0.00 175.55 173.88 3jpp s ILE 174 N -1.72 1.06 -0.19 2.71 1.01 -0.47 -4.89 121.20 118.71 3jpp s ILE 174 Ca 0.62 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 3jpp s ILE 174 Cb -0.22 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3jpp s ILE 174 CO 0.27 -0.00 0.03 0.00 0.00 0.00 0.00 174.94 175.23 3jpp s ALA 175 N 1.63 3.20 -0.11 9.38 0.00 -1.26 -1.85 121.76 132.75 3jpp s ALA 175 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3jpp s ALA 175 Cb -0.17 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.13 3jpp s ALA 175 CO -0.07 0.01 -0.17 0.99 0.00 0.00 0.00 175.76 176.51 3jpp s THR 176 N 0.70 1.65 -0.18 0.00 2.01 0.20 -4.94 115.64 115.08 3jpp s THR 176 Ca 0.01 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.02 3jpp s THR 176 Cb -0.14 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 3jpp s THR 176 CO 0.02 0.47 0.86 -0.69 -0.69 0.00 0.00 174.62 174.59 3jpp s VAL 177 N 0.89 4.85 0.00 3.82 1.01 -1.26 -0.11 120.40 129.59 3jpp s VAL 177 Ca -0.08 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3jpp s VAL 177 Cb -0.15 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3jpp s VAL 177 CO -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 175.10 175.09 3jpp n GLY 179 N 5.00 0.96 0.28 0.00 0.00 0.19 -2.51 105.19 109.10 3jpp n GLY 179 Ca 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.39 3jpp n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3jpp h SER 180 N 2.91 0.00 -0.34 1.61 4.64 -1.88 -2.34 113.55 118.15 3jpp h SER 180 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3jpp h SER 180 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3jpp h SER 180 CO 0.00 0.01 0.22 0.15 -0.87 0.00 0.00 176.83 176.35 3jpp h PHE 181 N 0.00 0.42 0.00 4.77 3.57 -1.83 -0.65 116.94 123.22 3jpp h PHE 181 Ca -0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3jpp h PHE 181 Cb 0.03 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 3jpp h PHE 181 CO 0.00 0.26 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.15 3jpp h ARG 182 N 0.46 0.00 -0.07 1.11 2.43 -1.12 -1.04 114.38 116.14 3jpp h ARG 182 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3jpp h ARG 182 Cb -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3jpp h ARG 182 CO -0.03 0.10 0.00 0.54 -1.51 0.00 0.00 179.97 179.07 3jpp n ARG 183 N -3.29 1.29 -0.82 0.20 1.74 -0.56 -4.49 116.66 110.73 3jpp n ARG 183 Ca -0.00 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 3jpp n ARG 183 Cb 0.32 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3jpp n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jpp n GLY 184 N 0.91 0.65 3.60 -0.13 0.00 -0.39 -3.84 105.19 105.98 3jpp n GLY 184 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3jpp n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jpp n ALA 185 N 0.46 0.07 0.99 4.61 0.00 -0.36 -4.88 120.51 121.41 3jpp n ALA 185 Ca 0.00 0.31 0.14 0.00 0.00 0.00 0.00 53.44 53.89 3jpp n ALA 185 Cb 0.00 -2.06 0.61 0.00 0.00 0.00 0.00 19.45 18.00 3jpp n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3jpp n GLU 186 N 0.46 0.00 -3.61 0.00 -0.58 -1.26 -4.76 120.64 110.89 3jpp n GLU 186 Ca 0.09 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.67 3jpp n GLU 186 Cb 0.36 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.66 3jpp n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3jpp s SER 187 N -3.00 -0.49 0.14 1.62 1.04 -1.26 -1.72 113.70 110.03 3jpp s SER 187 Ca 0.14 0.48 0.06 0.00 0.48 0.00 0.00 55.95 57.11 3jpp s SER 187 Cb 0.19 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 3jpp s SER 187 CO 0.52 -0.55 -0.14 -0.44 0.98 0.00 0.00 173.24 173.61 3jpp s SER 188 N -1.26 2.10 0.30 7.02 0.01 0.25 -4.89 113.70 117.24 3jpp s SER 188 Ca -0.12 -0.86 0.18 0.00 1.31 0.00 0.00 55.95 56.46 3jpp s SER 188 Cb -0.02 -0.08 0.12 0.00 0.21 0.00 0.00 66.02 66.26 3jpp s SER 188 CO 0.08 -0.16 1.41 1.23 0.41 0.00 0.00 173.24 176.21 3jpp h GLY 189 N 3.31 0.00 0.00 3.44 0.00 -1.90 0.26 103.07 108.19 3jpp h GLY 189 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3jpp h GLY 189 CO 0.53 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.16 3jpp n ASP 190 N -3.12 0.00 -4.18 0.19 5.68 -1.26 -4.72 116.55 109.14 3jpp n ASP 190 Ca 0.01 -0.91 -0.31 0.00 -0.50 0.00 0.00 54.79 53.09 3jpp n ASP 190 Cb 0.67 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.48 3jpp n ASP 190 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3jpp s MET 191 N -1.73 2.83 -0.16 0.11 -2.45 -0.98 -4.92 119.30 112.01 3jpp s MET 191 Ca 0.00 -0.80 0.00 0.00 -1.25 0.00 0.00 55.69 53.64 3jpp s MET 191 Cb 0.00 -2.19 0.00 0.00 1.25 0.00 0.00 34.83 33.89 3jpp s MET 191 CO 0.00 0.11 -0.16 -0.51 1.05 0.00 0.00 175.02 175.51 3jpp s ASP 192 N 0.51 3.55 -0.15 1.11 1.01 -1.26 -1.30 116.67 120.14 3jpp s ASP 192 Ca -0.15 -0.51 0.02 0.00 0.71 0.00 0.00 52.55 52.62 3jpp s ASP 192 Cb -0.17 -1.55 0.01 0.00 1.01 0.00 0.00 42.92 42.23 3jpp s ASP 192 CO 0.06 0.07 -0.20 -0.69 0.21 0.00 0.00 175.17 174.61 3jpp s VAL 193 N 0.92 2.00 -0.12 -1.27 1.01 0.58 -0.38 120.40 123.14 3jpp s VAL 193 Ca -0.03 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 3jpp s VAL 193 Cb -0.15 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3jpp s VAL 193 CO -0.02 0.53 0.36 -0.22 0.00 0.00 0.00 175.10 175.75 3jpp s LEU 194 N 1.05 4.30 0.02 3.92 2.96 0.84 -0.64 118.68 131.13 3jpp s LEU 194 Ca -0.02 0.68 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 3jpp s LEU 194 Cb -0.14 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 3jpp s LEU 194 CO -0.07 0.13 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.66 3jpp s LEU 195 N 0.15 2.13 0.03 -0.68 2.96 0.69 -0.62 118.68 123.33 3jpp s LEU 195 Ca 0.20 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3jpp s LEU 195 Cb -0.14 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 3jpp s LEU 195 CO 0.08 0.20 0.03 0.42 -1.32 0.00 0.00 176.35 175.75 3jpp s THR 196 N -0.70 0.14 -0.12 3.68 -4.23 -0.77 -1.32 115.64 112.32 3jpp s THR 196 Ca 0.08 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.30 3jpp s THR 196 Cb -0.09 -0.80 0.03 0.00 1.34 0.00 0.00 72.50 72.98 3jpp s THR 196 CO 0.01 -0.65 0.32 -2.28 -0.54 0.00 0.00 174.62 171.48 3jpp s HIS 197 N -2.47 -0.36 0.62 3.99 2.46 -1.26 -1.37 115.29 116.90 3jpp s HIS 197 Ca -0.06 0.87 0.33 0.00 0.47 0.00 0.00 55.06 56.67 3jpp s HIS 197 Cb -0.02 0.12 1.88 0.00 -0.13 0.00 0.00 32.58 34.43 3jpp s HIS 197 CO -0.04 -0.18 2.17 -1.00 -2.47 0.00 0.00 174.74 173.22 3jpp h PRO 198 N 5.81 0.00 0.00 2.88 0.13 -1.99 -1.18 132.00 137.64 3jpp h PRO 198 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3jpp h PRO 198 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3jpp h PRO 198 CO 0.31 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.51 3jpp n SER 199 N -3.50 0.33 -4.05 1.44 7.64 -1.26 -4.49 113.62 109.72 3jpp n SER 199 Ca -0.01 0.56 -0.32 0.00 1.01 0.00 0.00 58.87 60.11 3jpp n SER 199 Cb 0.22 -0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 62.64 3jpp n SER 199 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3jpp s PHE 200 N -3.10 3.54 0.33 1.43 5.36 -0.45 -1.04 117.98 124.06 3jpp s PHE 200 Ca 0.09 -2.67 0.03 0.00 -0.96 0.00 0.00 56.93 53.42 3jpp s PHE 200 Cb 0.12 -2.51 -0.06 0.00 -0.34 0.00 0.00 43.02 40.24 3jpp s PHE 200 CO 0.43 -0.92 0.07 0.95 -1.46 0.00 0.00 175.22 174.30 3jpp s THR 201 N 1.00 1.03 -0.77 0.12 -4.23 -0.55 -0.96 115.64 111.28 3jpp s THR 201 Ca 0.02 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.68 3jpp s THR 201 Cb -0.20 -2.71 0.14 0.00 1.34 0.00 0.00 72.50 71.07 3jpp s THR 201 CO -0.06 0.00 1.45 -1.54 -0.54 0.00 0.00 174.62 173.93 3jpp n SER 202 N -0.74 0.24 0.04 3.99 3.41 -1.26 -2.27 113.62 117.03 3jpp n SER 202 Ca -0.02 0.58 -0.18 0.00 -0.26 0.00 0.00 58.87 58.98 3jpp n SER 202 Cb 0.66 -0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 3jpp n SER 202 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3jpp h GLU 203 N 0.00 0.24 -1.78 4.33 4.57 -1.99 -3.50 114.58 116.46 3jpp h GLU 203 Ca 0.00 -0.42 0.25 0.00 -1.18 0.00 0.00 59.36 58.01 3jpp h GLU 203 Cb 0.20 0.16 -0.13 0.00 -0.16 0.00 0.00 28.75 28.81 3jpp h GLU 203 CO 0.00 1.09 0.70 -1.54 -1.18 0.00 0.00 179.01 178.08 3jpp s SER 204 N -6.93 -0.14 -0.40 1.04 1.04 -0.96 -5.10 113.70 102.25 3jpp s SER 204 Ca -0.13 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.18 3jpp s SER 204 Cb 0.07 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.56 3jpp s SER 204 CO 0.83 -0.48 0.13 -0.89 0.98 0.00 0.00 173.24 173.81 3jpp s THR 205 N -2.73 2.23 -0.82 2.02 2.01 -1.26 -1.49 115.64 115.61 3jpp s THR 205 Ca 0.12 -2.59 0.27 0.00 0.31 0.00 0.00 61.69 59.79 3jpp s THR 205 Cb 0.01 -2.61 0.26 0.00 0.01 0.00 0.00 72.50 70.17 3jpp s THR 205 CO -0.03 -0.68 1.81 0.29 -0.69 0.00 0.00 174.62 175.32 3jpp n LYS 206 N 3.90 0.18 -3.97 4.92 5.02 -0.21 -4.78 118.16 123.22 3jpp n LYS 206 Ca 0.04 0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.31 3jpp n LYS 206 Cb 0.39 -1.70 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 3jpp n LYS 206 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3jpp s GLN 207 N -3.07 0.28 0.50 1.97 -0.21 -1.26 -5.10 119.66 112.77 3jpp s GLN 207 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.51 3jpp s GLN 207 Cb 0.15 -0.38 0.01 0.00 1.00 0.00 0.00 33.01 33.79 3jpp s GLN 207 CO 0.58 -0.06 0.73 -1.25 -2.12 0.00 0.00 175.29 173.17 3jpp s PRO 208 N 0.59 2.83 -1.83 2.91 0.04 -1.26 -4.38 135.00 133.90 3jpp s PRO 208 Ca -0.06 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.39 3jpp s PRO 208 Cb -0.09 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3jpp s PRO 208 CO -0.01 -0.48 0.00 1.63 0.04 0.00 0.00 177.00 178.18 3jpp n LYS 209 N -2.22 -1.65 -0.30 4.56 5.02 -1.26 -4.88 118.16 117.45 3jpp n LYS 209 Ca 0.04 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 3jpp n LYS 209 Cb 0.59 -5.59 0.20 0.00 -0.02 0.00 0.00 35.03 30.20 3jpp n LYS 209 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3jpp h LEU 210 N 0.00 0.98 0.18 -0.35 3.38 -1.90 0.51 115.31 118.11 3jpp h LEU 210 Ca -0.45 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.25 3jpp h LEU 210 Cb 1.33 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.86 3jpp h LEU 210 CO 0.57 0.69 -1.13 0.25 0.09 0.00 0.00 178.44 178.91 3jpp h LEU 211 N 1.15 0.59 -0.41 1.67 5.85 -1.90 -3.31 115.31 118.95 3jpp h LEU 211 Ca 0.34 -0.93 0.07 0.00 0.84 0.00 0.00 57.88 58.19 3jpp h LEU 211 Cb -0.06 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 3jpp h LEU 211 CO -0.09 1.54 0.06 -0.74 -0.34 0.00 0.00 178.44 178.87 3jpp h HIS 212 N -0.18 0.08 -0.73 1.25 2.76 -1.81 -0.36 115.15 116.15 3jpp h HIS 212 Ca -0.20 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.09 3jpp h HIS 212 Cb 1.85 0.03 -0.07 0.00 1.55 0.00 0.00 27.41 30.76 3jpp h HIS 212 CO 0.16 -0.02 0.37 1.96 -1.30 0.00 0.00 177.93 179.10 3jpp h GLN 213 N 0.18 0.60 -0.10 5.26 4.20 -1.03 0.29 115.11 124.50 3jpp h GLN 213 Ca 0.20 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3jpp h GLN 213 Cb 0.26 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3jpp h GLN 213 CO -0.29 0.40 0.01 0.28 -0.67 0.00 0.00 178.83 178.56 3jpp h VAL 214 N 0.62 1.23 -0.52 -0.54 2.07 -1.46 -1.23 116.25 116.43 3jpp h VAL 214 Ca 0.37 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3jpp h VAL 214 Cb 0.40 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3jpp h VAL 214 CO -0.28 0.21 0.29 0.58 0.02 0.00 0.00 177.57 178.39 3jpp h VAL 215 N -0.07 1.01 -0.50 2.57 2.07 -0.46 -1.37 116.25 119.49 3jpp h VAL 215 Ca 0.03 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3jpp h VAL 215 Cb 0.31 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3jpp h VAL 215 CO 0.00 0.10 0.33 -0.08 0.02 0.00 0.00 177.57 177.94 3jpp h GLU 216 N 0.56 0.65 -0.68 1.57 4.81 -0.34 -1.11 114.58 120.04 3jpp h GLU 216 Ca 0.22 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3jpp h GLU 216 Cb 0.08 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3jpp h GLU 216 CO -0.12 0.43 0.29 0.37 -0.73 0.00 0.00 179.01 179.25 3jpp h GLN 217 N 0.67 0.99 0.00 1.92 5.75 -0.86 -0.08 115.11 123.49 3jpp h GLN 217 Ca 0.19 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.48 3jpp h GLN 217 Cb -0.06 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 3jpp h GLN 217 CO -0.05 0.79 -0.27 -0.07 -2.65 0.00 0.00 178.83 176.58 3jpp h LEU 218 N 0.97 0.00 0.16 -2.39 3.38 -0.75 -2.83 115.31 113.86 3jpp h LEU 218 Ca 0.23 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 3jpp h LEU 218 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3jpp h LEU 218 CO -0.02 0.27 -1.31 1.56 0.09 0.00 0.00 178.44 179.02 3jpp h GLN 219 N 0.00 0.34 -0.73 1.13 4.20 -0.70 0.53 115.11 119.88 3jpp h GLN 219 Ca -0.00 -0.59 0.03 0.00 0.06 0.00 0.00 58.65 58.15 3jpp h GLN 219 Cb 0.91 0.22 -0.04 0.00 0.30 0.00 0.00 27.48 28.87 3jpp h GLN 219 CO 0.04 1.28 0.48 -0.22 -0.67 0.00 0.00 178.83 179.74 3jpp h LYS 220 N 0.09 0.86 -0.44 1.46 3.64 -0.79 -0.14 116.57 121.25 3jpp h LYS 220 Ca -0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3jpp h LYS 220 Cb 2.03 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 3jpp h LYS 220 CO 0.22 0.57 0.00 1.33 -2.27 0.00 0.00 179.45 179.30 3jpp n VAL 221 N -4.45 0.61 -2.20 2.00 0.24 -1.10 -4.92 118.33 108.51 3jpp n VAL 221 Ca 0.09 -0.59 -0.16 0.00 -2.04 0.00 0.00 64.34 61.64 3jpp n VAL 221 Cb 0.12 0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 3jpp n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3jpp n HIS 222 N 0.76 -0.67 -0.06 6.34 8.25 -0.07 -4.91 115.22 124.86 3jpp n HIS 222 Ca 0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.40 3jpp n HIS 222 Cb 0.38 -3.25 -0.13 0.00 1.12 0.00 0.00 29.99 28.11 3jpp n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3jpp h PHE 223 N 0.00 0.15 -3.37 4.41 3.57 -1.15 -3.43 116.94 117.12 3jpp h PHE 223 Ca -0.38 -0.11 -0.58 0.00 3.53 0.00 0.00 57.97 60.43 3jpp h PHE 223 Cb 1.26 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.91 3jpp h PHE 223 CO 0.44 1.44 0.12 0.42 -2.23 0.00 0.00 178.31 178.50 3jpp s ILE 224 N -2.38 5.03 -0.06 1.41 1.01 -0.48 -0.70 121.20 125.03 3jpp s ILE 224 Ca -0.24 1.32 0.10 0.00 0.00 0.00 0.00 60.65 61.82 3jpp s ILE 224 Cb 0.04 -3.99 -0.14 0.00 0.01 0.00 0.00 42.46 38.38 3jpp s ILE 224 CO 0.67 0.17 0.12 0.35 0.00 0.00 0.00 174.94 176.26 3jpp n THR 225 N 4.25 0.37 -3.80 2.92 -2.24 0.37 -4.42 114.28 111.72 3jpp n THR 225 Ca -0.01 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 3jpp n THR 225 Cb 0.50 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.37 3jpp n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3jpp s ASP 226 N -3.77 -0.01 -0.16 3.42 1.11 -1.20 -4.99 116.67 111.07 3jpp s ASP 226 Ca -0.04 -0.39 0.02 0.00 0.18 0.00 0.00 52.55 52.31 3jpp s ASP 226 Cb 0.05 0.34 0.01 0.00 1.07 0.00 0.00 42.92 44.39 3jpp s ASP 226 CO 0.42 -0.65 -0.21 -0.89 1.18 0.00 0.00 175.17 175.03 3jpp s THR 227 N -3.02 2.08 -0.13 -1.27 2.01 -1.26 -0.88 115.64 113.18 3jpp s THR 227 Ca -0.02 -0.95 -0.23 0.00 0.31 0.00 0.00 61.69 60.80 3jpp s THR 227 Cb 0.01 -1.85 -0.26 0.00 0.01 0.00 0.00 72.50 70.41 3jpp s THR 227 CO -0.06 0.54 0.64 -0.07 -0.69 0.00 0.00 174.62 174.98 3jpp h LEU 228 N 7.63 0.18 -7.08 4.42 3.38 -0.63 -3.46 115.31 119.76 3jpp h LEU 228 Ca -0.39 -0.86 -0.05 0.00 0.09 0.00 0.00 57.88 56.67 3jpp h LEU 228 Cb 1.17 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 3jpp h LEU 228 CO 0.60 1.32 0.14 -0.94 0.09 0.00 0.00 178.44 179.65 3jpp s SER 229 N -6.69 -0.55 -0.25 -0.43 1.04 -0.45 -4.38 113.70 101.99 3jpp s SER 229 Ca -0.20 0.31 -0.13 0.00 0.48 0.00 0.00 55.95 56.40 3jpp s SER 229 Cb 0.01 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.75 3jpp s SER 229 CO 0.72 -0.76 0.61 -0.75 0.98 0.00 0.00 173.24 174.04 3jpp s LYS 230 N -2.41 0.60 0.00 4.02 2.20 -1.26 -1.00 119.74 121.89 3jpp s LYS 230 Ca -0.05 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 3jpp s LYS 230 Cb -0.01 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 3jpp s LYS 230 CO -0.01 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.23 3jpp n GLY 231 N 4.51 4.70 0.20 5.54 0.00 -0.16 -5.02 105.19 114.97 3jpp n GLY 231 Ca -0.19 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.07 3jpp n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3jpp h GLU 232 N 0.00 0.00 0.00 1.61 4.39 -2.01 -3.34 114.58 115.23 3jpp h GLU 232 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3jpp h GLU 232 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3jpp h GLU 232 CO 0.00 0.32 0.00 0.25 -1.16 0.00 0.00 179.01 178.42 3jpp n THR 233 N -3.82 0.00 -3.85 1.13 -2.24 -1.26 -4.48 114.28 99.77 3jpp n THR 233 Ca -0.01 -0.37 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 3jpp n THR 233 Cb 0.40 1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 69.51 3jpp n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3jpp s LYS 234 N -0.60 0.34 -0.09 -0.78 2.20 -1.25 -0.39 119.74 119.17 3jpp s LYS 234 Ca 0.00 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.77 3jpp s LYS 234 Cb 0.00 -0.65 -0.02 0.00 -1.51 0.00 0.00 37.83 35.65 3jpp s LYS 234 CO 0.00 -0.22 -0.15 0.12 -0.36 0.00 0.00 175.35 174.74 3jpp s PHE 235 N 1.51 2.73 -0.16 4.03 5.36 0.35 -0.99 117.98 130.81 3jpp s PHE 235 Ca -0.03 -0.45 -0.02 0.00 -0.96 0.00 0.00 56.93 55.47 3jpp s PHE 235 Cb -0.13 -1.73 0.05 0.00 -0.34 0.00 0.00 43.02 40.87 3jpp s PHE 235 CO -0.03 -0.05 -0.01 1.41 -1.46 0.00 0.00 175.22 175.09 3jpp s MET 236 N -0.15 0.96 0.00 10.12 -2.45 -0.17 -0.85 119.30 126.76 3jpp s MET 236 Ca -0.01 -0.39 0.00 0.00 -1.25 0.00 0.00 55.69 54.04 3jpp s MET 236 Cb -0.14 -1.89 0.00 0.00 1.25 0.00 0.00 34.83 34.06 3jpp s MET 236 CO 0.03 -0.50 0.00 0.41 1.05 0.00 0.00 175.02 176.01 3jpp n GLY 237 N 4.99 3.91 3.11 2.11 0.00 0.24 0.13 105.19 119.69 3jpp n GLY 237 Ca -0.10 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 3jpp n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpp s VAL 238 N -0.29 0.99 0.16 1.61 1.01 -0.05 -1.18 120.40 122.63 3jpp s VAL 238 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.06 3jpp s VAL 238 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3jpp s VAL 238 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 175.10 175.21 3jpp s GLN 240 N -4.07 0.55 0.50 0.00 0.74 0.12 0.44 119.66 117.95 3jpp s GLN 240 Ca 0.27 0.86 -0.20 0.00 0.05 0.00 0.00 55.36 56.34 3jpp s GLN 240 Cb 0.07 0.14 -0.07 0.00 1.10 0.00 0.00 33.01 34.24 3jpp s GLN 240 CO 0.05 -0.12 1.09 -0.51 -0.55 0.00 0.00 175.29 175.24 3jpp s LEU 241 N 1.00 3.83 0.29 3.68 1.43 -1.26 -4.61 118.68 123.05 3jpp s LEU 241 Ca -0.06 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 54.84 3jpp s LEU 241 Cb -0.06 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.55 3jpp s LEU 241 CO -0.09 -0.98 0.96 -2.16 0.23 0.00 0.00 176.35 174.31 3jpp s PRO 242 N -3.17 4.68 0.24 1.29 0.04 -1.26 -4.43 135.00 132.39 3jpp s PRO 242 Ca 0.69 1.43 0.08 0.00 0.04 0.00 0.00 61.00 63.24 3jpp s PRO 242 Cb -0.21 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3jpp s PRO 242 CO 0.25 0.35 0.10 -1.54 0.04 0.00 0.00 177.00 176.20 3jpp s SER 243 N -1.39 5.12 0.86 6.66 1.04 -1.26 -4.93 113.70 119.79 3jpp s SER 243 Ca 0.47 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 56.38 3jpp s SER 243 Cb -0.23 -1.18 0.13 0.00 0.10 0.00 0.00 66.02 64.85 3jpp s SER 243 CO 0.28 -0.00 1.22 -0.54 0.98 0.00 0.00 173.24 175.17 3jpp s LYS 244 N -3.64 1.41 0.37 4.02 1.02 -1.26 -4.98 119.74 116.68 3jpp s LYS 244 Ca 0.32 -0.21 -0.28 0.00 0.02 0.00 0.00 55.97 55.82 3jpp s LYS 244 Cb -0.08 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.17 3jpp s LYS 244 CO 0.22 -1.90 1.49 0.09 -0.92 0.00 0.00 175.35 174.34 3jpp n ASN 245 N -3.45 3.77 0.00 2.83 3.02 -1.26 -2.45 115.26 117.73 3jpp n ASN 245 Ca 0.11 1.22 0.00 0.00 -0.03 0.00 0.00 54.58 55.88 3jpp n ASN 245 Cb 0.60 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 3jpp n ASN 245 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3jpp n ASP 246 N 0.65 -1.61 -4.79 6.41 10.43 -1.26 -4.97 116.55 121.41 3jpp n ASP 246 Ca 0.02 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.06 3jpp n ASP 246 Cb 0.39 -2.45 -0.07 0.00 1.84 0.00 0.00 41.12 40.83 3jpp n ASP 246 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 3jpp s GLU 247 N -1.12 3.06 0.32 -1.24 -1.05 -1.02 -5.06 118.70 112.58 3jpp s GLU 247 Ca 0.00 -0.53 -0.29 0.00 -0.15 0.00 0.00 54.97 54.01 3jpp s GLU 247 Cb 0.00 -2.85 -0.12 0.00 -0.44 0.00 0.00 34.13 30.72 3jpp s GLU 247 CO 0.00 0.63 1.39 0.36 0.95 0.00 0.00 175.26 178.59 3jpp n LYS 248 N 0.94 2.30 -2.05 -4.83 2.85 -1.26 -4.69 118.16 111.41 3jpp n LYS 248 Ca -0.11 0.81 -0.32 0.00 -1.05 0.00 0.00 58.31 57.64 3jpp n LYS 248 Cb 0.52 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 3jpp n LYS 248 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3jpp s GLU 249 N -1.49 3.54 0.76 -1.58 -1.05 -1.26 -4.88 118.70 112.74 3jpp s GLU 249 Ca 0.58 0.97 -0.12 0.00 -0.15 0.00 0.00 54.97 56.25 3jpp s GLU 249 Cb -0.55 -2.07 0.05 0.00 -0.44 0.00 0.00 34.13 31.11 3jpp s GLU 249 CO 0.59 -0.61 1.11 0.71 0.95 0.00 0.00 175.26 178.01 3jpp s TYR 250 N -2.78 2.41 0.65 4.83 2.02 -1.26 -5.00 117.35 118.22 3jpp s TYR 250 Ca 0.59 1.59 -0.16 0.00 -0.37 0.00 0.00 57.07 58.73 3jpp s TYR 250 Cb -0.12 -3.16 -0.00 0.00 -0.40 0.00 0.00 41.96 38.27 3jpp s TYR 250 CO 0.42 -1.98 1.13 -2.14 -1.57 0.00 0.00 175.55 171.41 3jpp s PRO 251 N -4.55 2.77 0.41 -1.71 0.02 -1.26 -4.86 135.00 125.82 3jpp s PRO 251 Ca 0.65 1.49 -0.23 0.00 0.02 0.00 0.00 61.00 62.93 3jpp s PRO 251 Cb -0.20 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.29 3jpp s PRO 251 CO 0.51 -1.29 1.01 -1.01 -0.33 0.00 0.00 177.00 175.89 3jpp s HIS 252 N -2.19 3.28 0.11 6.54 3.76 -1.26 -4.65 115.29 120.88 3jpp s HIS 252 Ca 0.69 1.64 0.08 0.00 -0.15 0.00 0.00 55.06 57.32 3jpp s HIS 252 Cb -0.23 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.41 3jpp s HIS 252 CO 0.40 -0.43 -0.19 1.03 -0.85 0.00 0.00 174.74 174.70 3jpp s ARG 253 N -2.74 1.10 0.27 1.40 1.81 0.17 -4.40 118.95 116.55 3jpp s ARG 253 Ca 0.60 -1.18 -0.29 0.00 -1.72 0.00 0.00 55.73 53.14 3jpp s ARG 253 Cb -0.17 -1.26 -0.09 0.00 -0.45 0.00 0.00 34.95 32.98 3jpp s ARG 253 CO 0.22 0.28 0.97 1.03 -0.68 0.00 0.00 175.30 177.12 3jpp s ARG 254 N -2.10 4.74 -0.01 3.54 1.81 -1.26 0.46 118.95 126.13 3jpp s ARG 254 Ca 0.07 1.51 0.00 0.00 -1.72 0.00 0.00 55.73 55.59 3jpp s ARG 254 Cb -0.09 -3.14 0.02 0.00 -0.45 0.00 0.00 34.95 31.29 3jpp s ARG 254 CO 0.04 0.40 0.01 -1.50 -0.68 0.00 0.00 175.30 173.57 3jpp s ILE 255 N -1.29 0.01 -0.07 1.52 2.07 -0.33 -2.31 121.20 120.82 3jpp s ILE 255 Ca 0.44 0.11 0.06 0.00 -1.41 0.00 0.00 60.65 59.84 3jpp s ILE 255 Cb -0.25 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3jpp s ILE 255 CO 0.31 0.07 -0.24 -1.81 -1.91 0.00 0.00 174.94 171.36 3jpp s ASP 256 N 0.64 3.03 -0.10 4.50 1.01 -0.42 -0.59 116.67 124.73 3jpp s ASP 256 Ca -0.05 -0.51 0.01 0.00 0.71 0.00 0.00 52.55 52.70 3jpp s ASP 256 Cb -0.08 -0.94 0.02 0.00 1.01 0.00 0.00 42.92 42.93 3jpp s ASP 256 CO -0.02 0.22 -0.11 -0.63 0.21 0.00 0.00 175.17 174.85 3jpp s ILE 257 N -0.05 1.20 -0.23 0.77 1.01 -0.03 -0.31 121.20 123.56 3jpp s ILE 257 Ca -0.07 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3jpp s ILE 257 Cb -0.15 -1.15 0.04 0.00 0.01 0.00 0.00 42.46 41.21 3jpp s ILE 257 CO 0.05 0.39 -0.13 -0.60 0.00 0.00 0.00 174.94 174.64 3jpp s ARG 258 N 1.30 2.68 -0.32 2.79 6.06 0.18 -0.50 118.95 131.14 3jpp s ARG 258 Ca -0.02 -1.06 -0.22 0.00 -2.50 0.00 0.00 55.73 51.94 3jpp s ARG 258 Cb -0.14 -2.79 -0.00 0.00 0.06 0.00 0.00 34.95 32.08 3jpp s ARG 258 CO -0.04 -0.39 0.70 -1.17 -2.50 0.00 0.00 175.30 171.90 3jpp s LEU 259 N 1.23 4.15 0.06 -0.88 2.96 0.48 -0.22 118.68 126.45 3jpp s LEU 259 Ca -0.01 0.43 0.10 0.00 -0.22 0.00 0.00 54.13 54.43 3jpp s LEU 259 Cb -0.16 -2.92 -0.03 0.00 0.50 0.00 0.00 46.19 43.57 3jpp s LEU 259 CO -0.08 -0.58 -0.26 -0.63 -1.32 0.00 0.00 176.35 173.48 3jpp s ILE 260 N 2.81 2.18 0.09 6.68 1.01 -0.44 -4.77 121.20 128.77 3jpp s ILE 260 Ca 0.28 -1.46 -0.36 0.00 0.00 0.00 0.00 60.65 59.11 3jpp s ILE 260 Cb -0.14 -1.87 -0.16 0.00 0.01 0.00 0.00 42.46 40.30 3jpp s ILE 260 CO 0.13 0.31 1.45 -2.65 0.00 0.00 0.00 174.94 174.19 3jpp n PRO 261 N 1.60 1.51 -0.26 2.79 -0.02 -1.26 -4.54 135.00 134.81 3jpp n PRO 261 Ca -0.17 0.54 0.18 0.00 -2.02 0.00 0.00 63.50 62.04 3jpp n PRO 261 Cb 0.52 -2.24 0.48 0.00 -0.02 0.00 0.00 33.50 32.25 3jpp n PRO 261 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3jpp h LYS 262 N 5.24 0.45 -0.00 -0.52 3.64 -1.26 0.15 116.57 124.27 3jpp h LYS 262 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3jpp h LYS 262 Cb 1.31 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3jpp h LYS 262 CO 0.83 0.30 0.00 -0.40 -2.27 0.00 0.00 179.45 177.91 3jpp n ASP 263 N -4.55 0.02 -0.63 4.20 5.75 -1.26 -3.01 116.55 117.07 3jpp n ASP 263 Ca 0.20 -1.57 0.06 0.00 -0.01 0.00 0.00 54.79 53.47 3jpp n ASP 263 Cb 0.68 -0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.90 3jpp n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jpp n GLN 264 N -0.70 1.00 -0.05 0.11 6.02 0.51 -4.85 117.38 119.42 3jpp n GLN 264 Ca 0.11 -2.58 -0.08 0.00 -0.01 0.00 0.00 57.00 54.44 3jpp n GLN 264 Cb 0.05 -1.13 -0.02 0.00 1.02 0.00 0.00 30.24 30.16 3jpp n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3jpp h TYR 265 N 0.62 -0.05 -0.85 1.08 3.20 -1.52 -1.84 116.97 117.61 3jpp h TYR 265 Ca -0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.85 3jpp h TYR 265 Cb 1.23 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 3jpp h TYR 265 CO 0.37 -0.05 0.56 1.88 -1.64 0.00 0.00 178.16 179.28 3jpp h TYR 266 N 0.04 1.07 -0.06 -3.82 0.05 -1.88 0.68 116.97 113.04 3jpp h TYR 266 Ca 0.10 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.77 3jpp h TYR 266 Cb 0.14 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 3jpp h TYR 266 CO -0.20 0.66 -0.59 0.00 -1.05 0.00 0.00 178.16 176.99 3jpp h GLY 268 N 1.51 0.41 2.00 0.00 0.00 -0.38 -2.12 103.07 104.49 3jpp h GLY 268 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 3jpp h GLY 268 CO 0.09 0.34 -0.49 -0.24 0.00 0.00 0.00 176.54 176.24 3jpp h VAL 269 N 0.06 1.34 -0.00 4.60 3.04 0.35 -0.99 116.25 124.64 3jpp h VAL 269 Ca 0.04 -1.68 -0.00 0.00 -1.01 0.00 0.00 66.70 64.05 3jpp h VAL 269 Cb 0.58 1.91 -0.00 0.00 -2.01 0.00 0.00 31.29 31.77 3jpp h VAL 269 CO 0.03 0.48 0.00 0.25 -1.01 0.00 0.00 177.57 177.32 3jpp h LEU 270 N 0.00 0.01 0.17 3.16 5.85 -1.24 -1.58 115.31 121.68 3jpp h LEU 270 Ca -0.00 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3jpp h LEU 270 Cb 0.87 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3jpp h LEU 270 CO 0.06 0.29 -0.09 0.22 -0.34 0.00 0.00 178.44 178.59 3jpp h TYR 271 N -0.28 -0.22 0.00 1.25 3.20 -1.18 -3.01 116.97 116.73 3jpp h TYR 271 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3jpp h TYR 271 Cb 0.29 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3jpp h TYR 271 CO 0.02 -0.14 0.00 0.35 -1.64 0.00 0.00 178.16 176.76 3jpp h PHE 272 N -0.24 0.00 0.00 -3.82 3.57 -1.22 -2.84 116.94 112.40 3jpp h PHE 272 Ca -0.02 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.25 3jpp h PHE 272 Cb 0.18 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3jpp h PHE 272 CO -0.07 0.00 -1.17 1.15 -2.23 0.00 0.00 178.31 175.99 3jpp h THR 273 N 0.00 1.51 -0.07 4.41 2.02 -1.17 0.57 112.91 120.18 3jpp h THR 273 Ca 0.00 -3.25 0.00 0.00 0.77 0.00 0.00 66.41 63.93 3jpp h THR 273 Cb 0.44 2.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3jpp h THR 273 CO 0.00 0.86 0.00 0.61 0.37 0.00 0.00 175.52 177.36 3jpp n GLY 274 N 1.40 0.89 2.94 2.16 0.00 -1.08 -4.19 105.19 107.32 3jpp n GLY 274 Ca -0.04 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 3jpp n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jpp n SER 275 N -2.64 -2.52 -0.11 1.61 3.41 0.19 -4.74 113.62 108.81 3jpp n SER 275 Ca 0.00 -0.98 -0.12 0.00 -0.26 0.00 0.00 58.87 57.51 3jpp n SER 275 Cb 0.00 -0.87 -0.03 0.00 -0.26 0.00 0.00 64.21 63.05 3jpp n SER 275 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3jpp h ASP 276 N -2.77 0.61 -0.40 4.04 2.03 -1.89 0.10 116.42 118.14 3jpp h ASP 276 Ca -0.35 -0.37 -0.09 0.00 -0.73 0.00 0.00 57.03 55.50 3jpp h ASP 276 Cb 1.10 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.42 3jpp h ASP 276 CO 0.22 0.83 -0.05 0.40 -1.03 0.00 0.00 179.24 179.62 3jpp h ILE 277 N 0.37 1.25 -0.24 4.15 2.04 -1.94 0.10 117.51 123.25 3jpp h ILE 277 Ca 0.08 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3jpp h ILE 277 Cb 0.57 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3jpp h ILE 277 CO 0.03 0.38 0.14 0.15 0.00 0.00 0.00 178.15 178.85 3jpp h PHE 278 N 0.76 0.32 -0.74 1.37 3.04 -1.73 0.93 116.94 120.89 3jpp h PHE 278 Ca 0.14 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.11 3jpp h PHE 278 Cb 0.53 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 3jpp h PHE 278 CO 0.03 0.26 0.47 -0.91 -2.02 0.00 0.00 178.31 176.14 3jpp h ASN 279 N 0.28 0.78 -0.52 0.41 2.35 -0.39 0.22 115.58 118.71 3jpp h ASN 279 Ca 0.08 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3jpp h ASN 279 Cb 0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3jpp h ASN 279 CO -0.01 0.55 0.20 0.11 -1.65 0.00 0.00 177.43 176.62 3jpp h LYS 280 N 0.93 0.78 -0.55 0.81 1.57 -0.51 0.81 116.57 120.42 3jpp h LYS 280 Ca 0.29 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3jpp h LYS 280 Cb -0.01 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3jpp h LYS 280 CO -0.10 0.70 0.06 -0.91 -0.57 0.00 0.00 179.45 178.63 3jpp h ASN 281 N 0.70 0.89 -0.36 0.86 2.35 -0.26 -1.55 115.58 118.22 3jpp h ASN 281 Ca 0.17 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.57 3jpp h ASN 281 Cb 0.21 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3jpp h ASN 281 CO -0.01 0.94 -0.08 -0.03 -1.65 0.00 0.00 177.43 176.60 3jpp h MET 282 N 0.81 0.68 -0.09 0.81 4.05 -0.33 -1.41 114.93 119.45 3jpp h MET 282 Ca 0.16 -0.26 -0.07 0.00 -0.28 0.00 0.00 59.70 59.25 3jpp h MET 282 Cb 0.45 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 3jpp h MET 282 CO 0.02 0.84 -0.28 0.00 0.23 0.00 0.00 176.91 177.71 3jpp h ARG 283 N 0.48 0.16 -0.20 0.39 3.08 -0.78 -0.45 114.38 117.05 3jpp h ARG 283 Ca 0.09 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 3jpp h ARG 283 Cb 0.58 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3jpp h ARG 283 CO 0.03 0.44 -0.23 0.00 -1.07 0.00 0.00 179.97 179.14 3jpp h ALA 284 N 1.57 0.30 -0.85 0.04 0.00 -1.08 -2.50 119.26 116.74 3jpp h ALA 284 Ca 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3jpp h ALA 284 Cb 0.58 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3jpp h ALA 284 CO 0.04 0.26 0.56 1.25 0.00 0.00 0.00 179.25 181.36 3jpp h HIS 285 N 0.18 1.05 -0.29 0.00 -0.00 -0.95 -2.07 115.15 113.07 3jpp h HIS 285 Ca 0.03 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 3jpp h HIS 285 Cb 0.79 -0.36 -0.07 0.00 -0.00 0.00 0.00 27.41 27.78 3jpp h HIS 285 CO 0.08 0.65 -0.15 0.00 -0.00 0.00 0.00 177.93 178.51 3jpp h ALA 286 N 1.32 0.08 -0.11 5.26 0.00 -0.96 -0.86 119.26 124.00 3jpp h ALA 286 Ca 0.32 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.38 3jpp h ALA 286 Cb -0.09 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3jpp h ALA 286 CO -0.08 -0.54 -0.15 -0.07 0.00 0.00 0.00 179.25 178.40 3jpp h LEU 287 N -0.11 -0.47 -1.52 0.00 3.38 -0.67 0.15 115.31 116.07 3jpp h LEU 287 Ca 0.15 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.40 3jpp h LEU 287 Cb 0.34 0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 3jpp h LEU 287 CO -0.36 -0.20 0.58 -0.33 0.09 0.00 0.00 178.44 178.21 3jpp h GLU 288 N -0.20 0.40 -0.04 1.13 5.08 -0.78 0.67 114.58 120.85 3jpp h GLU 288 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3jpp h GLU 288 Cb 0.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3jpp h GLU 288 CO -0.23 0.27 0.00 1.63 -1.00 0.00 0.00 179.01 179.68 3jpp n LYS 289 N -4.50 1.40 -1.71 2.33 4.76 -0.06 -4.91 118.16 115.46 3jpp n LYS 289 Ca 0.18 -0.58 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 3jpp n LYS 289 Cb 0.66 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3jpp n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3jpp n GLY 290 N 1.07 0.71 3.15 0.72 0.00 0.23 -5.00 105.19 106.07 3jpp n GLY 290 Ca 0.19 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 3jpp n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jpp s PHE 291 N -2.13 0.91 -0.07 1.61 0.40 0.34 -0.70 117.98 118.35 3jpp s PHE 291 Ca 0.00 -0.74 0.03 0.00 -0.60 0.00 0.00 56.93 55.62 3jpp s PHE 291 Cb 0.00 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 43.02 3jpp s PHE 291 CO 0.00 -0.08 -0.16 -0.08 0.70 0.00 0.00 175.22 175.60 3jpp s THR 292 N -2.78 1.39 -0.10 0.64 -1.32 0.11 -1.70 115.64 111.88 3jpp s THR 292 Ca 0.05 -0.64 0.04 0.00 -1.21 0.00 0.00 61.69 59.93 3jpp s THR 292 Cb -0.01 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.76 3jpp s THR 292 CO -0.02 0.41 -0.24 -0.63 -2.21 0.00 0.00 174.62 171.93 3jpp s ILE 293 N 0.46 2.04 0.34 5.08 1.01 -1.26 -0.85 121.20 128.02 3jpp s ILE 293 Ca -0.13 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.54 3jpp s ILE 293 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 3jpp s ILE 293 CO 0.05 0.56 0.11 -0.46 0.00 0.00 0.00 174.94 175.19 3jpp n ASN 294 N 3.53 1.32 0.00 3.58 0.23 -0.65 -4.93 115.26 118.34 3jpp n ASN 294 Ca -0.19 -2.76 0.08 0.00 -0.53 0.00 0.00 54.58 51.18 3jpp n ASN 294 Cb 0.53 0.80 0.46 0.00 -2.08 0.00 0.00 39.78 39.48 3jpp n ASN 294 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3jpp n GLU 295 N -0.76 0.43 -0.07 -3.83 0.00 -1.26 -3.39 120.64 111.76 3jpp n GLU 295 Ca -0.06 0.04 -0.10 0.00 0.00 0.00 0.00 57.16 57.05 3jpp n GLU 295 Cb 0.50 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.38 3jpp n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3jpp n TYR 296 N -1.08 0.00 -3.95 -1.84 4.01 -1.26 -1.96 117.16 111.08 3jpp n TYR 296 Ca 0.11 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.76 3jpp n TYR 296 Cb 0.07 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.57 3jpp n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3jpp s THR 297 N -2.26 0.00 -0.16 -0.72 -4.23 -1.22 -4.69 115.64 102.35 3jpp s THR 297 Ca -0.18 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3jpp s THR 297 Cb 0.05 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.62 3jpp s THR 297 CO 0.30 0.00 -0.13 -0.51 -0.54 0.00 0.00 174.62 173.74 3jpp s ILE 298 N -3.64 1.60 0.13 2.99 2.07 -1.26 -1.64 121.20 121.46 3jpp s ILE 298 Ca 0.19 -0.74 0.11 0.00 -1.41 0.00 0.00 60.65 58.80 3jpp s ILE 298 Cb -0.03 -1.55 -0.04 0.00 0.13 0.00 0.00 42.46 40.97 3jpp s ILE 298 CO 0.10 0.39 -0.26 -0.13 -1.91 0.00 0.00 174.94 173.13 3jpp s ARG 299 N 1.46 1.44 0.53 3.50 0.52 -0.03 -1.86 118.95 124.51 3jpp s ARG 299 Ca 0.03 -1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 53.74 3jpp s ARG 299 Cb -0.14 -1.91 -0.07 0.00 0.52 0.00 0.00 34.95 33.35 3jpp s ARG 299 CO -0.10 0.45 0.97 -1.25 0.02 0.00 0.00 175.30 175.39 3jpp s PRO 300 N -2.12 3.86 -0.29 3.54 0.04 -1.26 0.06 135.00 138.83 3jpp s PRO 300 Ca 0.15 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 61.96 3jpp s PRO 300 Cb -0.10 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3jpp s PRO 300 CO 0.07 -0.31 0.13 -0.51 0.04 0.00 0.00 177.00 176.41 3jpp s LEU 301 N -4.29 3.87 1.26 -3.56 1.43 0.12 -0.07 118.68 117.45 3jpp s LEU 301 Ca 0.57 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 3jpp s LEU 301 Cb -0.10 -1.99 0.32 0.00 0.03 0.00 0.00 46.19 44.46 3jpp s LEU 301 CO 0.36 -0.13 0.99 -0.83 0.23 0.00 0.00 176.35 176.97 3jpp s GLY 302 N 1.63 1.50 0.61 -3.19 0.00 -0.46 -4.72 107.32 102.68 3jpp s GLY 302 Ca 0.05 -0.29 0.32 0.00 0.00 0.00 0.00 44.72 44.80 3jpp s GLY 302 CO 0.06 0.52 2.19 -0.39 0.00 0.00 0.00 173.10 175.49 3jpp h VAL 303 N -2.95 0.39 0.00 1.40 -1.51 -1.99 0.23 116.25 111.82 3jpp h VAL 303 Ca -0.59 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 64.73 3jpp h VAL 303 Cb 1.34 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.39 3jpp h VAL 303 CO 0.45 0.00 -0.79 0.00 -1.23 0.00 0.00 177.57 176.01 3jpp h THR 304 N 0.00 1.03 0.00 7.19 1.03 -2.04 -3.47 112.91 116.65 3jpp h THR 304 Ca 0.03 -2.51 0.00 0.00 -0.01 0.00 0.00 66.41 63.92 3jpp h THR 304 Cb 0.24 2.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.80 3jpp h THR 304 CO -0.00 0.59 0.00 0.61 -0.01 0.00 0.00 175.52 176.71 3jpp n GLY 305 N 1.29 1.12 3.82 2.99 0.00 0.80 -5.09 105.19 110.12 3jpp n GLY 305 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3jpp n GLY 305 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jpp s VAL 306 N -2.00 5.32 0.33 1.61 1.01 -1.26 -4.75 120.40 120.65 3jpp s VAL 306 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 3jpp s VAL 306 Cb 0.00 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.71 3jpp s VAL 306 CO 0.00 0.54 1.40 0.00 0.00 0.00 0.00 175.10 177.04 3jpp n ALA 307 N 2.43 1.72 -2.43 5.51 0.00 -1.26 -1.36 120.51 125.12 3jpp n ALA 307 Ca -0.16 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3jpp n ALA 307 Cb 0.53 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.65 3jpp n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jpp n GLY 308 N 1.10 1.89 3.79 0.00 0.00 0.90 -4.86 105.19 108.01 3jpp n GLY 308 Ca 0.05 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 3jpp n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jpp s GLU 309 N 0.76 3.36 0.37 1.61 0.41 -1.26 -4.62 118.70 119.33 3jpp s GLU 309 Ca 0.00 1.42 -0.27 0.00 -0.41 0.00 0.00 54.97 55.71 3jpp s GLU 309 Cb 0.00 -2.02 -0.11 0.00 -1.78 0.00 0.00 34.13 30.21 3jpp s GLU 309 CO 0.00 -0.81 1.26 -2.30 -0.49 0.00 0.00 175.26 172.93 3jpp n PRO 310 N -1.58 2.02 -3.61 0.39 -0.02 -1.26 -4.30 135.00 126.63 3jpp n PRO 310 Ca 0.10 0.71 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 3jpp n PRO 310 Cb 0.52 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3jpp n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jpp s LEU 311 N -1.18 4.29 0.31 2.45 1.43 -0.78 -5.01 118.68 120.19 3jpp s LEU 311 Ca 0.58 0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 54.09 3jpp s LEU 311 Cb -0.55 -3.19 -0.11 0.00 0.03 0.00 0.00 46.19 42.37 3jpp s LEU 311 CO 0.61 0.10 1.53 -2.16 0.23 0.00 0.00 176.35 176.66 3jpp s PRO 312 N -2.32 4.15 -0.03 1.29 0.04 -1.26 -4.72 135.00 132.14 3jpp s PRO 312 Ca 0.38 2.53 -0.00 0.00 0.04 0.00 0.00 61.00 63.94 3jpp s PRO 312 Cb -0.13 -3.02 0.03 0.00 0.04 0.00 0.00 34.50 31.42 3jpp s PRO 312 CO 0.21 -0.56 0.01 0.08 0.04 0.00 0.00 177.00 176.79 3jpp s VAL 313 N -0.34 0.11 -0.02 -0.36 1.01 -1.26 -4.96 120.40 114.58 3jpp s VAL 313 Ca 0.59 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.76 3jpp s VAL 313 Cb -0.46 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 35.71 3jpp s VAL 313 CO 0.51 0.15 0.89 0.47 0.00 0.00 0.00 175.10 177.13 3jpp n ASP 314 N 4.42 1.40 -3.61 3.32 9.92 -1.26 -4.97 116.55 125.77 3jpp n ASP 314 Ca -0.21 -1.88 -0.01 0.00 -0.53 0.00 0.00 54.79 52.15 3jpp n ASP 314 Cb 0.50 -0.07 -0.01 0.00 -0.64 0.00 0.00 41.12 40.90 3jpp n ASP 314 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3jpp s SER 315 N -0.99 -0.07 0.30 -2.24 1.04 -1.26 -5.01 113.70 105.47 3jpp s SER 315 Ca 0.04 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.45 3jpp s SER 315 Cb 0.04 0.11 0.47 0.00 0.10 0.00 0.00 66.02 66.74 3jpp s SER 315 CO 0.00 -0.20 1.77 -0.33 0.98 0.00 0.00 173.24 175.47 3jpp h GLU 316 N 2.00 0.51 -0.45 4.02 5.08 -1.98 -2.92 114.58 120.84 3jpp h GLU 316 Ca -0.18 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3jpp h GLU 316 Cb 1.18 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3jpp h GLU 316 CO 0.25 0.66 0.23 -0.22 -1.00 0.00 0.00 179.01 178.92 3jpp h LYS 317 N 0.47 0.62 -0.86 2.33 3.64 -1.98 -2.13 116.57 118.66 3jpp h LYS 317 Ca 0.08 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3jpp h LYS 317 Cb 0.55 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 3jpp h LYS 317 CO 0.04 0.48 0.56 -0.44 -2.27 0.00 0.00 179.45 177.81 3jpp h ASP 318 N 0.63 0.90 -0.14 4.20 3.32 -1.90 0.25 116.42 123.66 3jpp h ASP 318 Ca 0.16 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3jpp h ASP 318 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3jpp h ASP 318 CO -0.02 0.60 0.05 0.40 -1.72 0.00 0.00 179.24 178.55 3jpp h ILE 319 N 1.03 1.17 -0.50 0.35 2.04 -1.49 -1.73 117.51 118.38 3jpp h ILE 319 Ca 0.35 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3jpp h ILE 319 Cb 0.08 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3jpp h ILE 319 CO -0.11 0.16 0.26 -0.26 0.00 0.00 0.00 178.15 178.19 3jpp h PHE 320 N 0.05 0.47 -0.69 1.37 -1.00 -1.10 -2.62 116.94 113.43 3jpp h PHE 320 Ca 0.05 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.90 3jpp h PHE 320 Cb 0.20 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 39.57 3jpp h PHE 320 CO -0.01 0.24 0.39 -0.44 -1.61 0.00 0.00 178.31 176.88 3jpp h ASP 321 N 0.50 0.59 -0.81 2.17 3.32 -0.27 -1.83 116.42 120.09 3jpp h ASP 321 Ca 0.22 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.42 3jpp h ASP 321 Cb 0.12 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 3jpp h ASP 321 CO -0.15 0.38 0.42 1.88 -1.72 0.00 0.00 179.24 180.05 3jpp h TYR 322 N 0.72 0.75 -0.32 4.55 0.99 -0.93 -0.82 116.97 121.90 3jpp h TYR 322 Ca 0.31 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.07 3jpp h TYR 322 Cb 0.18 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 37.69 3jpp h TYR 322 CO -0.07 0.23 0.00 0.44 -0.00 0.00 0.00 178.16 178.76 3jpp n ILE 323 N -4.84 0.43 -3.32 -2.88 -5.35 -0.94 -4.94 119.36 97.53 3jpp n ILE 323 Ca 0.15 -0.48 -0.16 0.00 -0.27 0.00 0.00 62.75 61.98 3jpp n ILE 323 Cb 0.36 0.33 0.08 0.00 -1.74 0.00 0.00 39.64 38.67 3jpp n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3jpp n GLN 324 N 0.60 -6.16 -5.25 6.28 6.02 -0.31 -4.94 117.38 113.61 3jpp n GLN 324 Ca 0.15 0.75 -0.31 0.00 -0.01 0.00 0.00 57.00 57.57 3jpp n GLN 324 Cb 0.35 -5.50 -0.16 0.00 1.02 0.00 0.00 30.24 25.95 3jpp n GLN 324 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3jpp s TRP 325 N -3.31 2.39 0.53 1.08 0.52 -0.74 -5.04 118.94 114.38 3jpp s TRP 325 Ca 0.11 -0.69 -0.20 0.00 0.02 0.00 0.00 56.10 55.35 3jpp s TRP 325 Cb -0.05 -1.57 -0.06 0.00 -1.15 0.00 0.00 33.47 30.64 3jpp s TRP 325 CO 0.65 -0.20 1.13 0.15 0.02 0.00 0.00 176.95 178.70 3jpp s LYS 326 N -0.20 3.41 0.34 4.98 1.02 -1.26 -4.08 119.74 123.96 3jpp s LYS 326 Ca -0.02 1.64 -0.29 0.00 0.02 0.00 0.00 55.97 57.32 3jpp s LYS 326 Cb -0.13 -2.06 -0.11 0.00 -0.52 0.00 0.00 37.83 35.01 3jpp s LYS 326 CO 0.03 -0.81 1.45 -0.47 -0.92 0.00 0.00 175.35 174.64 3jpp s TYR 327 N -1.74 2.76 -0.14 3.18 5.04 -1.26 -5.01 117.35 120.18 3jpp s TYR 327 Ca 0.71 1.17 0.01 0.00 -2.44 0.00 0.00 57.07 56.53 3jpp s TYR 327 Cb -0.25 -3.93 0.02 0.00 0.35 0.00 0.00 41.96 38.16 3jpp s TYR 327 CO 0.28 -2.75 -0.16 1.03 -1.34 0.00 0.00 175.55 172.61 3jpp s ARG 328 N -1.69 2.45 0.78 4.97 0.52 -1.26 -5.12 118.95 119.59 3jpp s ARG 328 Ca 0.54 -0.63 -0.14 0.00 -0.52 0.00 0.00 55.73 54.98 3jpp s ARG 328 Cb -0.45 -2.15 0.07 0.00 0.52 0.00 0.00 34.95 32.93 3jpp s ARG 328 CO 0.57 -0.17 1.19 -1.21 0.02 0.00 0.00 175.30 175.70 3jpp s GLU 329 N 1.28 1.87 0.25 3.54 0.41 -1.26 -4.86 118.70 119.94 3jpp s GLU 329 Ca 0.01 1.69 -0.04 0.00 -0.41 0.00 0.00 54.97 56.23 3jpp s GLU 329 Cb -0.14 -1.81 0.51 0.00 -1.78 0.00 0.00 34.13 30.92 3jpp s GLU 329 CO -0.08 -2.02 1.66 -1.35 -0.49 0.00 0.00 175.26 172.98 3jpp h PRO 330 N -0.70 0.20 0.00 0.39 0.11 -1.94 0.14 132.00 130.21 3jpp h PRO 330 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jpp h PRO 330 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jpp h PRO 330 CO 0.48 0.13 0.08 1.57 -0.21 0.00 0.00 178.00 180.05 3jpp h LYS 331 N 0.21 0.00 -0.39 1.05 2.10 -1.79 -0.34 116.57 117.41 3jpp h LYS 331 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3jpp h LYS 331 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 3jpp h LYS 331 CO -0.58 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.62 3jpp n ASP 332 N -2.30 3.70 -1.13 7.07 8.00 0.48 -4.43 116.55 127.95 3jpp n ASP 332 Ca -0.01 -2.46 0.08 0.00 0.71 0.00 0.00 54.79 53.10 3jpp n ASP 332 Cb 0.12 -0.42 0.29 0.00 -0.02 0.00 0.00 41.12 41.09 3jpp n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jpp n ARG 333 N 0.30 3.40 -2.91 -1.24 1.74 -0.14 -4.85 116.66 112.95 3jpp n ARG 333 Ca 0.18 -2.89 -0.44 0.00 -0.77 0.00 0.00 57.85 53.94 3jpp n ARG 333 Cb 0.70 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3jpp n ARG 333 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3jpp n SER 334 N -0.16 5.24 -0.69 0.55 7.64 -1.26 -0.64 113.62 124.30 3jpp n SER 334 Ca 0.23 -3.00 0.09 0.00 1.01 0.00 0.00 58.87 57.19 3jpp n SER 334 Cb 0.94 -1.55 0.07 0.00 -1.01 0.00 0.00 64.21 62.67 3jpp n SER 334 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41