#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krp s PHE 2 N 0.00 3.47 -0.69 3.17 0.40 -1.26 -4.59 117.98 118.48 3krp s PHE 2 Ca 0.00 0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 56.94 3krp s PHE 2 Cb 0.00 -2.35 -0.01 0.00 0.51 0.00 0.00 43.02 41.17 3krp s PHE 2 CO 0.00 0.25 0.64 -3.47 0.70 0.00 0.00 175.22 173.35 3krp n ASP 3 N 3.51 -6.80 0.05 1.36 2.03 -1.26 -4.92 116.55 110.52 3krp n ASP 3 Ca -0.12 -0.18 -0.09 0.00 0.52 0.00 0.00 54.79 54.92 3krp n ASP 3 Cb 0.52 -4.69 0.04 0.00 -0.72 0.00 0.00 41.12 36.27 3krp n ASP 3 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3krp h PHE 4 N 0.12 0.55 -0.33 -0.67 3.57 -2.01 -2.89 116.94 115.28 3krp h PHE 4 Ca -0.11 -0.23 -0.05 0.00 3.53 0.00 0.00 57.97 61.10 3krp h PHE 4 Cb 1.06 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3krp h PHE 4 CO 0.19 0.97 0.00 -0.44 -2.23 0.00 0.00 178.31 176.81 3krp h ASP 5 N 0.29 0.57 -0.97 0.41 3.32 -1.98 -2.21 116.42 115.84 3krp h ASP 5 Ca -0.02 -0.31 0.08 0.00 0.02 0.00 0.00 57.03 56.80 3krp h ASP 5 Cb 1.25 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 3krp h ASP 5 CO 0.12 0.74 0.62 1.23 -1.72 0.00 0.00 179.24 180.23 3krp h GLY 6 N 0.39 1.51 0.57 2.75 0.00 -1.92 0.24 103.07 106.62 3krp h GLY 6 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3krp h GLY 6 CO 0.02 0.27 -0.37 -1.82 0.00 0.00 0.00 176.54 174.64 3krp h TYR 7 N 1.08 -0.99 -0.85 5.60 3.20 -1.29 0.20 116.97 123.92 3krp h TYR 7 Ca 0.44 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.45 3krp h TYR 7 Cb 0.26 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 3krp h TYR 7 CO -0.01 -0.54 0.56 0.52 -1.64 0.00 0.00 178.16 177.04 3krp h MET 8 N -0.89 0.58 -0.40 1.82 2.86 -1.01 0.09 114.93 117.98 3krp h MET 8 Ca -0.08 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.39 3krp h MET 8 Cb 0.72 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3krp h MET 8 CO 0.07 0.39 -0.29 1.25 1.06 0.00 0.00 176.91 179.38 3krp h LEU 9 N 0.60 0.91 0.34 1.22 5.85 -0.22 -0.38 115.31 123.63 3krp h LEU 9 Ca 0.43 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3krp h LEU 9 Cb 0.78 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3krp h LEU 9 CO -0.18 1.13 -0.16 0.03 -0.34 0.00 0.00 178.44 178.92 3krp h ARG 10 N 0.74 -0.44 -0.59 1.25 3.08 0.87 -1.55 114.38 117.74 3krp h ARG 10 Ca 0.08 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.26 3krp h ARG 10 Cb 0.85 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.92 3krp h ARG 10 CO 0.07 -0.21 0.18 0.87 -1.07 0.00 0.00 179.97 179.81 3krp h LYS 11 N -0.59 0.32 -0.63 0.04 1.79 -1.07 -1.47 116.57 114.96 3krp h LYS 11 Ca -0.05 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3krp h LYS 11 Cb 0.43 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 3krp h LYS 11 CO 0.08 0.21 0.38 0.00 -1.08 0.00 0.00 179.45 179.04 3krp h ALA 12 N 1.43 0.82 0.70 3.86 0.00 -0.88 -1.54 119.26 123.64 3krp h ALA 12 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3krp h ALA 12 Cb 0.41 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3krp h ALA 12 CO -0.34 0.11 -0.33 0.87 0.00 0.00 0.00 179.25 179.55 3krp h LYS 13 N 0.73 -0.90 -1.14 0.00 1.57 -0.38 0.31 116.57 116.76 3krp h LYS 13 Ca 0.26 0.06 0.34 0.00 -1.87 0.00 0.00 60.65 59.44 3krp h LYS 13 Cb 0.05 0.20 -0.12 0.00 0.08 0.00 0.00 32.23 32.45 3krp h LYS 13 CO -0.12 -0.60 0.72 0.66 -0.57 0.00 0.00 179.45 179.54 3krp h SER 14 N -1.01 0.39 -0.04 0.86 4.64 -1.23 0.13 113.55 117.29 3krp h SER 14 Ca -0.10 0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3krp h SER 14 Cb 0.72 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3krp h SER 14 CO 0.16 -0.06 -0.25 0.58 -0.87 0.00 0.00 176.83 176.38 3krp h VAL 15 N 0.27 1.47 -0.67 0.95 2.07 -1.02 -2.85 116.25 116.46 3krp h VAL 15 Ca 0.71 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 66.52 3krp h VAL 15 Cb 1.94 2.47 -0.04 0.00 -1.52 0.00 0.00 31.29 34.14 3krp h VAL 15 CO -0.41 0.49 0.44 0.78 0.02 0.00 0.00 177.57 178.89 3krp h ASN 16 N -0.32 0.68 -0.16 0.57 2.35 0.22 0.12 115.58 119.04 3krp h ASN 16 Ca -0.02 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3krp h ASN 16 Cb 0.93 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3krp h ASN 16 CO 0.05 0.47 0.09 0.50 -1.65 0.00 0.00 177.43 176.89 3krp h LYS 17 N 0.79 0.23 -0.45 0.81 1.63 -1.13 -1.68 116.57 116.77 3krp h LYS 17 Ca 0.27 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.97 3krp h LYS 17 Cb 0.08 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3krp h LYS 17 CO -0.08 0.24 -0.02 0.00 -3.45 0.00 0.00 179.45 176.15 3krp h ALA 18 N 0.97 1.14 -0.57 5.00 0.00 -1.08 -2.34 119.26 122.38 3krp h ALA 18 Ca 0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3krp h ALA 18 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3krp h ALA 18 CO -0.01 0.55 0.16 -0.07 0.00 0.00 0.00 179.25 179.88 3krp h LEU 19 N 0.69 0.85 -0.09 0.00 3.38 -0.54 0.34 115.31 119.95 3krp h LEU 19 Ca 0.13 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3krp h LEU 19 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3krp h LEU 19 CO 0.02 0.85 0.00 -0.08 0.09 0.00 0.00 178.44 179.32 3krp h GLU 20 N 0.81 0.03 0.22 1.13 4.57 -1.00 -2.05 114.58 118.30 3krp h GLU 20 Ca 0.18 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3krp h GLU 20 Cb 0.32 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3krp h GLU 20 CO -0.00 0.02 -0.18 0.00 -1.18 0.00 0.00 179.01 177.67 3krp h ALA 21 N 1.07 -0.95 -0.94 2.92 0.00 -1.25 -3.24 119.26 116.88 3krp h ALA 21 Ca 0.04 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.04 3krp h ALA 21 Cb 0.04 0.37 -0.16 0.00 0.00 0.00 0.00 17.79 18.04 3krp h ALA 21 CO -0.06 -0.95 -0.30 0.00 0.00 0.00 0.00 179.25 177.93 3krp n ALA 22 N -2.40 0.05 -3.65 0.00 0.00 0.09 -3.52 120.51 111.07 3krp n ALA 22 Ca -0.05 0.98 -0.38 0.00 0.00 0.00 0.00 53.44 53.99 3krp n ALA 22 Cb 0.17 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 3krp n ALA 22 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3krp s VAL 23 N -6.03 4.02 0.23 0.00 1.01 -0.78 -5.08 120.40 113.77 3krp s VAL 23 Ca -0.13 -2.78 -0.06 0.00 0.00 0.00 0.00 61.98 59.01 3krp s VAL 23 Cb 0.22 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 3krp s VAL 23 CO 0.70 -0.89 0.49 -1.10 0.00 0.00 0.00 175.10 174.30 3krp s GLN 24 N 0.10 3.66 0.52 2.72 -1.52 -1.23 -4.79 119.66 119.12 3krp s GLN 24 Ca 0.16 0.01 -0.22 0.00 -1.95 0.00 0.00 55.36 53.36 3krp s GLN 24 Cb -0.19 -2.72 -0.06 0.00 -0.22 0.00 0.00 33.01 29.83 3krp s GLN 24 CO -0.04 0.32 1.30 -1.64 -0.25 0.00 0.00 175.29 174.98 3krp s MET 25 N -3.13 3.34 0.00 2.91 -1.94 -1.26 -4.97 119.30 114.24 3krp s MET 25 Ca 0.43 2.11 0.00 0.00 -1.71 0.00 0.00 55.69 56.52 3krp s MET 25 Cb -0.11 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.41 3krp s MET 25 CO 0.26 -0.99 0.00 0.36 -0.01 0.00 0.00 175.02 174.64 3krp n LYS 26 N -0.84 0.00 -1.95 2.03 2.85 -1.26 -5.10 118.16 113.89 3krp n LYS 26 Ca 0.09 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.94 3krp n LYS 26 Cb 0.46 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.81 3krp n LYS 26 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3krp s GLU 27 N -2.00 4.23 -0.02 -1.58 0.41 -1.26 -2.26 118.70 116.22 3krp s GLU 27 Ca 0.00 2.36 -0.30 0.00 -0.41 0.00 0.00 54.97 56.62 3krp s GLU 27 Cb 0.00 -3.12 -0.03 0.00 -1.78 0.00 0.00 34.13 29.20 3krp s GLU 27 CO 0.00 -0.53 1.07 -1.25 -0.49 0.00 0.00 175.26 174.06 3krp s PRO 28 N 0.34 4.47 0.45 0.39 0.04 -1.26 -5.03 135.00 134.40 3krp s PRO 28 Ca 0.65 1.54 0.20 0.00 0.04 0.00 0.00 61.00 63.42 3krp s PRO 28 Cb -0.43 -3.47 1.16 0.00 0.04 0.00 0.00 34.50 31.80 3krp s PRO 28 CO 0.38 -0.22 1.89 -0.07 0.04 0.00 0.00 177.00 179.02 3krp h LEU 29 N 7.30 0.31 -0.62 -3.56 3.38 -1.89 -2.28 115.31 117.94 3krp h LEU 29 Ca -0.38 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.47 3krp h LEU 29 Cb 1.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3krp h LEU 29 CO 0.81 0.14 -0.57 0.11 0.09 0.00 0.00 178.44 179.01 3krp h LYS 30 N 0.31 0.36 -0.38 1.13 1.57 -1.98 0.17 116.57 117.75 3krp h LYS 30 Ca 0.41 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3krp h LYS 30 Cb 1.13 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 3krp h LYS 30 CO -0.12 0.83 -0.19 0.82 -0.57 0.00 0.00 179.45 180.23 3krp h ILE 31 N 0.27 1.26 0.24 1.86 1.08 -1.74 -1.64 117.51 118.85 3krp h ILE 31 Ca -0.00 -1.26 -0.34 0.00 -0.39 0.00 0.00 64.86 62.87 3krp h ILE 31 Cb 1.09 1.18 0.03 0.00 -3.07 0.00 0.00 36.82 36.05 3krp h ILE 31 CO 0.10 0.42 -1.53 0.45 -0.69 0.00 0.00 178.15 176.90 3krp h HIS 32 N 0.63 0.94 -0.58 1.37 3.86 -1.46 -2.66 115.15 117.25 3krp h HIS 32 Ca 0.10 -0.69 0.09 0.00 -1.16 0.00 0.00 60.37 58.71 3krp h HIS 32 Cb 0.66 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 3krp h HIS 32 CO 0.03 1.59 0.39 1.49 0.86 0.00 0.00 177.93 182.29 3krp h GLU 33 N 0.13 0.39 -0.09 2.45 4.81 -0.59 -1.15 114.58 120.53 3krp h GLU 33 Ca -0.27 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.85 3krp h GLU 33 Cb 2.16 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.45 3krp h GLU 33 CO 0.26 0.26 -0.27 1.03 -0.73 0.00 0.00 179.01 179.56 3krp h SER 34 N 0.41 0.41 -0.11 1.04 0.87 -1.29 -2.67 113.55 112.20 3krp h SER 34 Ca 0.27 -0.60 0.04 0.00 -1.23 0.00 0.00 61.79 60.27 3krp h SER 34 Cb 0.51 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 3krp h SER 34 CO -0.07 0.93 -0.18 0.24 -0.53 0.00 0.00 176.83 177.22 3krp h MET 35 N -0.10 -0.23 -0.81 2.24 2.86 -0.90 -2.72 114.93 115.27 3krp h MET 35 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3krp h MET 35 Cb 0.89 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 3krp h MET 35 CO 0.06 -0.16 0.51 0.00 1.06 0.00 0.00 176.91 178.39 3krp h ARG 36 N -0.24 1.09 -0.75 1.72 3.08 -1.32 -1.23 114.38 116.72 3krp h ARG 36 Ca 0.09 -0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.23 3krp h ARG 36 Cb 0.37 -0.24 -0.13 0.00 0.08 0.00 0.00 29.97 30.06 3krp h ARG 36 CO -0.25 0.75 0.02 -0.92 -1.07 0.00 0.00 179.97 178.50 3krp h TYR 37 N 1.11 -0.01 0.07 3.04 5.03 -1.14 0.21 116.97 125.27 3krp h TYR 37 Ca 0.29 0.05 -0.32 0.00 2.58 0.00 0.00 58.73 61.34 3krp h TYR 37 Cb -0.08 0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.29 3krp h TYR 37 CO -0.01 -0.22 -1.78 0.77 -1.32 0.00 0.00 178.16 175.60 3krp h SER 38 N 0.12 0.23 -0.12 -2.11 0.02 -1.48 -3.35 113.55 106.86 3krp h SER 38 Ca 0.41 -0.46 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3krp h SER 38 Cb 0.73 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3krp h SER 38 CO -0.65 1.41 -0.44 0.25 -1.14 0.00 0.00 176.83 176.27 3krp h LEU 39 N 0.04 0.58 -3.28 5.07 5.85 -0.74 -3.22 115.31 119.61 3krp h LEU 39 Ca -0.33 -0.62 -0.18 0.00 0.84 0.00 0.00 57.88 57.59 3krp h LEU 39 Cb 2.02 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 42.77 3krp h LEU 39 CO 0.10 1.10 0.23 0.18 -0.34 0.00 0.00 178.44 179.72 3krp n LEU 40 N -4.28 5.31 0.00 2.25 4.77 0.69 -4.41 117.00 121.33 3krp n LEU 40 Ca -0.08 -2.76 0.06 0.00 -0.03 0.00 0.00 56.01 53.20 3krp n LEU 40 Cb 0.56 -0.70 0.31 0.00 -2.33 0.00 0.00 43.42 41.25 3krp n LEU 40 CO 0.45 0.72 0.63 0.00 -1.33 0.00 0.00 177.39 177.87 3krp n ALA 41 N -0.09 1.74 -1.84 -1.18 0.00 -1.22 -4.94 120.51 112.98 3krp n ALA 41 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3krp n ALA 41 Cb 1.20 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3krp n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3krp n GLY 42 N -0.28 -4.88 0.00 0.00 0.00 -1.26 -5.11 105.19 93.67 3krp n GLY 42 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3krp n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 43 N 1.26 4.41 0.13 -0.02 0.00 -1.26 -5.06 105.19 104.65 3krp n GLY 43 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 3krp n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krp h LYS 44 N 0.00 0.00 -5.88 1.61 1.57 -1.99 -3.48 116.57 108.40 3krp h LYS 44 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 3krp h LYS 44 Cb 0.00 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.43 3krp h LYS 44 CO 0.00 0.65 -0.71 0.54 -0.57 0.00 0.00 179.45 179.36 3krp n ARG 45 N -3.70 -7.42 -0.12 3.15 5.12 -1.26 -4.76 116.66 107.68 3krp n ARG 45 Ca -0.01 0.80 -0.08 0.00 -1.93 0.00 0.00 57.85 56.63 3krp n ARG 45 Cb 0.66 -5.82 -0.00 0.00 -1.16 0.00 0.00 32.46 26.13 3krp n ARG 45 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3krp h VAL 46 N -2.49 1.11 -0.36 1.55 2.07 -1.98 -1.99 116.25 114.16 3krp h VAL 46 Ca -0.58 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3krp h VAL 46 Cb 1.37 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 3krp h VAL 46 CO 0.56 0.11 0.22 0.03 0.02 0.00 0.00 177.57 178.52 3krp h ARG 47 N 0.50 0.49 -0.43 1.57 3.08 -1.96 0.39 114.38 118.01 3krp h ARG 47 Ca 0.14 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 3krp h ARG 47 Cb -0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3krp h ARG 47 CO -0.03 0.36 0.15 -1.35 -1.07 0.00 0.00 179.97 178.03 3krp h PRO 48 N 0.48 0.62 -0.14 0.04 0.11 -1.73 -0.94 132.00 130.43 3krp h PRO 48 Ca 0.13 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 3krp h PRO 48 Cb -0.01 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 3krp h PRO 48 CO -0.03 0.53 -0.14 1.98 -0.21 0.00 0.00 178.00 180.14 3krp h MET 49 N 0.62 0.35 -0.84 1.05 1.85 -0.77 -1.82 114.93 115.37 3krp h MET 49 Ca 0.15 -0.18 0.07 0.00 -0.61 0.00 0.00 59.70 59.12 3krp h MET 49 Cb 0.16 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.14 3krp h MET 49 CO -0.01 0.73 0.55 -0.07 -0.40 0.00 0.00 176.91 177.70 3krp h LEU 50 N -0.02 0.81 0.33 3.39 3.38 0.20 0.25 115.31 123.64 3krp h LEU 50 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3krp h LEU 50 Cb 0.66 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3krp h LEU 50 CO 0.03 0.52 -0.16 0.00 0.09 0.00 0.00 178.44 178.92 3krp h ILE 52 N -0.75 1.22 -0.64 0.00 2.04 -1.02 -1.59 117.51 116.77 3krp h ILE 52 Ca -0.05 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3krp h ILE 52 Cb 0.50 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3krp h ILE 52 CO 0.07 0.25 0.40 0.00 0.00 0.00 0.00 178.15 178.87 3krp h ALA 53 N 1.14 0.81 -0.81 1.87 0.00 -0.54 -0.27 119.26 121.47 3krp h ALA 53 Ca 0.22 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3krp h ALA 53 Cb 0.10 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3krp h ALA 53 CO -0.03 0.27 0.36 0.00 0.00 0.00 0.00 179.25 179.85 3krp h ALA 54 N 1.21 1.12 0.61 0.00 0.00 -1.03 0.11 119.26 121.29 3krp h ALA 54 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3krp h ALA 54 Cb -0.06 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.42 3krp h ALA 54 CO -0.05 0.65 -0.30 0.00 0.00 0.00 0.00 179.25 179.56 3krp h GLU 56 N -1.13 0.00 -0.99 0.00 5.08 -1.02 0.20 114.58 116.72 3krp h GLU 56 Ca -0.08 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3krp h GLU 56 Cb 0.67 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 3krp h GLU 56 CO 0.14 0.00 0.63 1.25 -1.00 0.00 0.00 179.01 180.03 3krp h LEU 57 N 0.00 0.94 -4.42 1.33 5.85 -0.54 -2.22 115.31 116.25 3krp h LEU 57 Ca 0.06 0.03 -0.70 0.00 0.84 0.00 0.00 57.88 58.11 3krp h LEU 57 Cb 0.35 -0.16 -0.30 0.00 0.37 0.00 0.00 40.66 40.92 3krp h LEU 57 CO -0.00 0.53 0.72 1.33 -0.34 0.00 0.00 178.44 180.69 3krp n VAL 58 N -4.57 3.46 -1.56 1.05 0.24 -0.58 -4.75 118.33 111.61 3krp n VAL 58 Ca 0.17 -3.71 -0.16 0.00 -2.04 0.00 0.00 64.34 58.61 3krp n VAL 58 Cb 0.30 -1.20 -0.06 0.00 -1.47 0.00 0.00 33.84 31.42 3krp n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3krp n GLY 59 N -0.72 1.34 3.87 7.63 0.00 -0.84 -4.68 105.19 111.79 3krp n GLY 59 Ca 0.56 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 3krp n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krp s GLY 60 N -2.77 1.60 -0.13 -0.02 0.00 -0.05 -4.94 107.32 101.01 3krp s GLY 60 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.19 3krp s GLY 60 CO 0.00 -0.08 -0.19 -0.35 0.00 0.00 0.00 173.10 172.49 3krp s ASP 61 N -4.42 3.46 0.39 1.64 2.15 -1.26 -3.98 116.67 114.65 3krp s ASP 61 Ca 0.61 -0.49 0.16 0.00 0.43 0.00 0.00 52.55 53.26 3krp s ASP 61 Cb -0.12 -1.51 1.03 0.00 -0.30 0.00 0.00 42.92 42.03 3krp s ASP 61 CO 0.50 0.12 1.80 -0.08 -0.17 0.00 0.00 175.17 177.35 3krp h GLU 62 N 7.02 0.45 -0.18 4.34 4.81 -1.95 -1.13 114.58 127.95 3krp h GLU 62 Ca -0.27 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3krp h GLU 62 Cb 1.21 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3krp h GLU 62 CO 0.53 0.30 -0.08 1.03 -0.73 0.00 0.00 179.01 180.07 3krp h SER 63 N 0.47 -0.26 0.01 1.04 0.87 -1.98 -0.77 113.55 112.92 3krp h SER 63 Ca 0.55 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 61.18 3krp h SER 63 Cb 1.28 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.39 3krp h SER 63 CO -0.27 -0.10 -0.00 0.74 -0.53 0.00 0.00 176.83 176.67 3krp h THR 64 N -0.05 0.53 0.00 2.23 2.02 -1.43 -2.88 112.91 113.32 3krp h THR 64 Ca 0.10 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3krp h THR 64 Cb 0.19 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3krp h THR 64 CO -0.21 0.00 -1.35 0.00 0.37 0.00 0.00 175.52 174.33 3krp n ALA 65 N -2.32 3.94 -0.32 6.16 0.00 -0.69 -4.57 120.51 122.71 3krp n ALA 65 Ca -0.03 -0.55 0.07 0.00 0.00 0.00 0.00 53.44 52.93 3krp n ALA 65 Cb 0.08 -0.78 0.23 0.00 0.00 0.00 0.00 19.45 18.98 3krp n ALA 65 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3krp h MET 66 N 0.00 0.74 -0.46 0.00 4.05 -0.95 0.27 114.93 118.59 3krp h MET 66 Ca 0.00 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3krp h MET 66 Cb 0.70 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 3krp h MET 66 CO 0.00 0.49 0.19 -1.35 0.23 0.00 0.00 176.91 176.47 3krp h PRO 67 N 0.76 0.68 -0.26 0.39 0.11 -1.81 -0.69 132.00 131.19 3krp h PRO 67 Ca 0.48 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 66.37 3krp h PRO 67 Cb 0.60 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3krp h PRO 67 CO -0.32 0.61 -0.25 0.00 -0.21 0.00 0.00 178.00 177.83 3krp h ALA 68 N 1.04 1.08 -0.43 -0.75 0.00 -1.71 -0.46 119.26 118.03 3krp h ALA 68 Ca 0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3krp h ALA 68 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3krp h ALA 68 CO -0.01 0.56 0.23 0.00 0.00 0.00 0.00 179.25 180.02 3krp h ALA 69 N 1.29 0.55 -0.45 0.00 0.00 -0.58 -1.42 119.26 118.65 3krp h ALA 69 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3krp h ALA 69 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3krp h ALA 69 CO 0.05 0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.62 3krp h ALA 71 N 1.08 0.46 0.00 0.00 0.00 -0.38 0.30 119.26 120.72 3krp h ALA 71 Ca 0.16 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3krp h ALA 71 Cb 0.09 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3krp h ALA 71 CO -0.02 -0.41 -0.30 -0.39 0.00 0.00 0.00 179.25 178.13 3krp h VAL 72 N 0.07 1.18 -0.00 0.00 -1.51 -1.16 -1.88 116.25 112.95 3krp h VAL 72 Ca 0.27 -1.03 -0.17 0.00 -1.23 0.00 0.00 66.70 64.54 3krp h VAL 72 Cb 0.42 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 31.12 3krp h VAL 72 CO -0.49 0.29 -0.79 -0.08 -1.23 0.00 0.00 177.57 175.26 3krp h GLU 73 N 0.00 0.07 -0.46 5.19 4.57 -1.06 -2.33 114.58 120.55 3krp h GLU 73 Ca -0.00 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 3krp h GLU 73 Cb 0.54 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 3krp h GLU 73 CO 0.04 0.83 0.17 0.52 -1.18 0.00 0.00 179.01 179.38 3krp h MET 74 N 0.04 0.70 -0.05 1.92 2.86 -0.21 0.48 114.93 120.67 3krp h MET 74 Ca -0.02 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3krp h MET 74 Cb 1.39 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 3krp h MET 74 CO 0.11 0.65 0.02 0.82 1.06 0.00 0.00 176.91 179.57 3krp h ILE 75 N 0.61 1.17 -0.19 -1.22 1.08 -1.36 -0.58 117.51 117.00 3krp h ILE 75 Ca 0.15 -0.50 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 3krp h ILE 75 Cb 0.23 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 3krp h ILE 75 CO -0.01 0.14 -0.08 -0.74 -0.69 0.00 0.00 178.15 176.77 3krp h HIS 76 N -0.11 -0.18 -0.43 1.37 2.76 -1.33 0.32 115.15 117.54 3krp h HIS 76 Ca 0.02 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 3krp h HIS 76 Cb 0.21 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.23 3krp h HIS 76 CO -0.01 -0.13 0.14 1.15 -1.30 0.00 0.00 177.93 177.79 3krp h THR 77 N -0.05 0.85 0.00 6.26 2.02 -0.76 -1.03 112.91 120.20 3krp h THR 77 Ca 0.10 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3krp h THR 77 Cb 0.20 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3krp h THR 77 CO -0.23 0.06 -0.48 0.00 0.37 0.00 0.00 175.52 175.23 3krp h MET 78 N 0.30 0.00 -0.30 6.66 -0.00 -0.58 -0.42 114.93 120.59 3krp h MET 78 Ca 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.84 3krp h MET 78 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.80 3krp h MET 78 CO -0.22 0.48 -0.06 0.66 -0.00 0.00 0.00 176.91 177.77 3krp h SER 79 N 0.00 0.58 -0.02 -0.10 4.64 0.29 -1.95 113.55 117.00 3krp h SER 79 Ca -0.00 -0.36 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 3krp h SER 79 Cb 0.96 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 3krp h SER 79 CO 0.06 0.81 -0.14 -0.07 -0.87 0.00 0.00 176.83 176.62 3krp h LEU 80 N 0.35 0.31 -0.10 5.97 3.38 -0.96 0.14 115.31 124.41 3krp h LEU 80 Ca 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3krp h LEU 80 Cb 0.55 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3krp h LEU 80 CO 0.03 0.48 0.02 0.24 0.09 0.00 0.00 178.44 179.30 3krp h MET 81 N 0.31 0.15 -0.19 1.13 2.86 -0.77 -2.52 114.93 115.90 3krp h MET 81 Ca 0.06 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 3krp h MET 81 Cb 0.44 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3krp h MET 81 CO 0.03 0.34 -0.57 0.45 1.06 0.00 0.00 176.91 178.22 3krp h HIS 82 N -0.06 0.74 -0.82 -0.22 3.86 -1.19 -3.21 115.15 114.25 3krp h HIS 82 Ca 0.03 -0.27 0.09 0.00 -1.16 0.00 0.00 60.37 59.07 3krp h HIS 82 Cb 0.26 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.52 3krp h HIS 82 CO 0.01 1.01 0.47 0.22 0.86 0.00 0.00 177.93 180.50 3krp h ASP 83 N 0.44 0.67 0.30 2.45 3.58 -0.57 -0.99 116.42 122.31 3krp h ASP 83 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3krp h ASP 83 Cb 1.12 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.09 3krp h ASP 83 CO 0.11 0.39 0.00 0.47 -2.88 0.00 0.00 179.24 177.32 3krp n ASP 84 N -4.74 0.00 -4.75 2.28 8.00 -0.96 -2.20 116.55 114.17 3krp n ASP 84 Ca 0.13 -0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.15 3krp n ASP 84 Cb 0.27 -0.24 0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3krp n ASP 84 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3krp s LEU 85 N -2.47 3.80 0.28 0.64 1.43 -0.38 -1.45 118.68 120.53 3krp s LEU 85 Ca 0.21 2.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.99 3krp s LEU 85 Cb 0.13 -4.35 0.68 0.00 0.03 0.00 0.00 46.19 42.68 3krp s LEU 85 CO 0.29 -1.59 1.67 -0.65 0.23 0.00 0.00 176.35 176.30 3krp h PRO 86 N 1.31 0.29 0.00 1.29 0.11 -1.90 0.51 132.00 133.61 3krp h PRO 86 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3krp h PRO 86 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3krp h PRO 86 CO 0.57 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 3krp n MET 88 N -1.90 0.00 0.06 0.00 2.81 0.16 -4.95 117.12 113.30 3krp n MET 88 Ca 0.03 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.86 3krp n MET 88 Cb 0.20 0.00 0.12 0.00 -0.71 0.00 0.00 33.22 32.83 3krp n MET 88 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3krp h ASP 89 N 0.00 0.37 -5.40 7.83 5.19 -1.17 -3.48 116.42 119.75 3krp h ASP 89 Ca 0.00 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 3krp h ASP 89 Cb 0.00 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.41 3krp h ASP 89 CO 0.00 0.84 -0.87 -3.20 -3.12 0.00 0.00 179.24 172.89 3krp n ASN 90 N -3.93 -7.73 -4.13 6.45 4.05 -0.10 -4.95 115.26 104.93 3krp n ASN 90 Ca -0.02 0.98 -0.25 0.00 0.45 0.00 0.00 54.58 55.73 3krp n ASN 90 Cb 0.59 -4.76 -0.16 0.00 1.23 0.00 0.00 39.78 36.68 3krp n ASN 90 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3krp s ASP 91 N -1.84 2.08 0.08 1.20 1.11 -0.53 -4.95 116.67 113.82 3krp s ASP 91 Ca 0.09 -0.34 0.23 0.00 0.18 0.00 0.00 52.55 52.72 3krp s ASP 91 Cb -0.02 -0.51 0.02 0.00 1.07 0.00 0.00 42.92 43.48 3krp s ASP 91 CO 0.70 0.16 1.00 0.47 1.18 0.00 0.00 175.17 178.68 3krp n ASP 92 N 3.06 0.60 -4.23 0.27 10.43 -1.26 -4.64 116.55 120.78 3krp n ASP 92 Ca -0.17 -0.04 -0.13 0.00 2.57 0.00 0.00 54.79 57.01 3krp n ASP 92 Cb 0.53 0.79 -0.10 0.00 1.84 0.00 0.00 41.12 44.19 3krp n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3krp s LEU 93 N -4.33 2.39 -0.30 0.64 1.43 -1.26 -1.11 118.68 116.13 3krp s LEU 93 Ca 0.02 -1.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.01 3krp s LEU 93 Cb 0.13 -0.18 0.19 0.00 0.03 0.00 0.00 46.19 46.36 3krp s LEU 93 CO 0.80 -0.45 0.74 -0.60 0.23 0.00 0.00 176.35 177.07 3krp s ARG 94 N -3.83 0.45 -0.88 1.70 3.52 -0.66 -4.76 118.95 114.50 3krp s ARG 94 Ca 0.18 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 3krp s ARG 94 Cb 0.05 0.40 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 3krp s ARG 94 CO 0.01 -0.54 0.00 0.54 -0.81 0.00 0.00 175.30 174.49 3krp n ARG 95 N 5.43 -0.67 -0.78 5.12 1.74 -1.26 -2.90 116.66 123.34 3krp n ARG 95 Ca -0.01 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3krp n ARG 95 Cb 0.52 -4.59 0.00 0.00 -1.02 0.00 0.00 32.46 27.38 3krp n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3krp n GLY 96 N -1.50 0.57 3.18 -0.13 0.00 -1.26 -5.05 105.19 101.00 3krp n GLY 96 Ca -0.10 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 3krp n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krp s LYS 97 N -0.80 0.85 0.35 1.61 3.01 -1.14 -5.11 119.74 118.50 3krp s LYS 97 Ca 0.00 -0.99 -0.28 0.00 -1.01 0.00 0.00 55.97 53.69 3krp s LYS 97 Cb 0.00 -0.85 -0.12 0.00 -1.01 0.00 0.00 37.83 35.85 3krp s LYS 97 CO 0.00 0.19 1.27 -2.30 0.51 0.00 0.00 175.35 175.01 3krp n PRO 98 N 1.19 2.05 -1.29 -1.68 -0.02 -1.26 -1.65 135.00 132.33 3krp n PRO 98 Ca -0.20 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 3krp n PRO 98 Cb 0.54 -2.30 0.09 0.00 -0.02 0.00 0.00 33.50 31.81 3krp n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3krp s THR 99 N -1.11 3.22 0.20 3.45 -4.23 -0.27 -4.77 115.64 112.13 3krp s THR 99 Ca 0.56 0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 61.37 3krp s THR 99 Cb -0.57 -2.88 0.16 0.00 1.34 0.00 0.00 72.50 70.55 3krp s THR 99 CO 0.62 -0.49 1.67 -1.13 -0.54 0.00 0.00 174.62 174.75 3krp h ASN 100 N -1.01 -0.24 0.58 3.99 -0.73 -1.91 -1.84 115.58 114.42 3krp h ASN 100 Ca -0.44 0.13 -0.05 0.00 1.87 0.00 0.00 56.30 57.82 3krp h ASN 100 Cb 1.24 0.24 -0.01 0.00 0.27 0.00 0.00 38.32 40.06 3krp h ASN 100 CO 0.51 -0.09 -0.23 1.12 -0.37 0.00 0.00 177.43 178.37 3krp h HIS 101 N 0.12 0.00 0.00 0.67 2.07 -1.89 -1.88 115.15 114.24 3krp h HIS 101 Ca 0.28 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.69 3krp h HIS 101 Cb 0.44 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.40 3krp h HIS 101 CO -0.34 0.23 -0.56 0.52 -3.07 0.00 0.00 177.93 174.71 3krp h MET 102 N 0.00 0.00 0.03 5.12 2.86 -1.61 0.86 114.93 122.19 3krp h MET 102 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 3krp h MET 102 Cb 0.58 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 3krp h MET 102 CO 0.03 0.56 -1.59 0.00 1.06 0.00 0.00 176.91 176.97 3krp h ALA 103 N 1.44 0.59 0.00 6.32 0.00 -1.13 -3.40 119.26 123.08 3krp h ALA 103 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.59 3krp h ALA 103 Cb 1.02 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3krp h ALA 103 CO 0.07 1.44 0.00 1.19 0.00 0.00 0.00 179.25 181.95 3krp n PHE 104 N -3.20 0.00 0.00 0.00 3.01 -0.75 -5.12 117.46 111.39 3krp n PHE 104 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 3krp n PHE 104 Cb 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 3krp n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3krp n GLY 105 N 0.11 1.35 0.28 1.37 0.00 0.30 -4.36 105.19 104.24 3krp n GLY 105 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 3krp n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3krp h GLU 106 N 0.00 1.00 -0.22 1.61 5.08 -1.93 -2.47 114.58 117.65 3krp h GLU 106 Ca 0.00 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 3krp h GLU 106 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3krp h GLU 106 CO 0.00 1.08 0.08 1.03 -1.00 0.00 0.00 179.01 180.20 3krp h SER 107 N 0.86 0.09 -0.42 1.42 0.87 -1.93 0.06 113.55 114.51 3krp h SER 107 Ca 0.12 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 3krp h SER 107 Cb 0.74 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3krp h SER 107 CO 0.06 0.08 -0.05 0.58 -0.53 0.00 0.00 176.83 176.97 3krp h VAL 108 N 0.18 1.27 -0.16 2.23 2.07 -1.76 -1.52 116.25 118.57 3krp h VAL 108 Ca 0.09 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.52 3krp h VAL 108 Cb 0.06 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3krp h VAL 108 CO -0.09 0.38 -0.02 0.00 0.02 0.00 0.00 177.57 177.85 3krp h ALA 109 N 0.87 0.12 0.53 1.67 0.00 -1.13 0.21 119.26 121.53 3krp h ALA 109 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3krp h ALA 109 Cb 0.56 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3krp h ALA 109 CO 0.03 -0.47 -0.37 0.28 0.00 0.00 0.00 179.25 178.73 3krp h VAL 110 N 0.02 0.00 -0.68 0.00 2.07 -0.88 -2.17 116.25 114.61 3krp h VAL 110 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 3krp h VAL 110 Cb 0.11 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.78 3krp h VAL 110 CO -0.15 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.57 3krp h LEU 111 N -0.86 0.11 -1.35 2.57 3.38 -1.13 -1.13 115.31 116.91 3krp h LEU 111 Ca -0.07 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3krp h LEU 111 Cb 0.70 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3krp h LEU 111 CO 0.04 0.04 -0.31 0.00 0.09 0.00 0.00 178.44 178.30 3krp h ALA 112 N 1.52 1.46 -0.34 1.53 0.00 -0.57 0.30 119.26 123.16 3krp h ALA 112 Ca 0.37 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3krp h ALA 112 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3krp h ALA 112 CO -0.42 0.40 -0.29 0.78 0.00 0.00 0.00 179.25 179.73 3krp h GLY 113 N 0.96 0.86 1.17 0.00 0.00 -0.57 -0.87 103.07 104.61 3krp h GLY 113 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 3krp h GLY 113 CO 0.04 0.77 0.33 -0.55 0.00 0.00 0.00 176.54 177.13 3krp h ASP 114 N 0.57 0.97 -0.61 0.19 3.32 -0.33 -1.77 116.42 118.77 3krp h ASP 114 Ca 0.06 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3krp h ASP 114 Cb 0.86 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.13 3krp h ASP 114 CO 0.07 0.84 0.23 0.00 -1.72 0.00 0.00 179.24 178.67 3krp h ALA 115 N 1.30 1.20 -0.26 3.45 0.00 -0.07 -2.09 119.26 122.79 3krp h ALA 115 Ca 0.25 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3krp h ALA 115 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3krp h ALA 115 CO -0.03 0.57 -0.45 -0.07 0.00 0.00 0.00 179.25 179.27 3krp h LEU 116 N 0.93 0.73 -0.25 0.00 3.38 -0.52 -1.56 115.31 118.03 3krp h LEU 116 Ca 0.21 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3krp h LEU 116 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3krp h LEU 116 CO -0.01 1.08 0.04 0.25 0.09 0.00 0.00 178.44 179.88 3krp h LEU 117 N 0.55 0.40 -0.21 1.67 5.85 -0.91 -0.38 115.31 122.27 3krp h LEU 117 Ca 0.03 -0.26 -0.22 0.00 0.84 0.00 0.00 57.88 58.28 3krp h LEU 117 Cb 1.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3krp h LEU 117 CO 0.09 0.56 -0.87 0.77 -0.34 0.00 0.00 178.44 178.65 3krp h SER 118 N 0.23 0.65 0.26 1.25 4.64 -1.44 -2.90 113.55 116.24 3krp h SER 118 Ca 0.08 -0.48 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 3krp h SER 118 Cb 0.33 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 3krp h SER 118 CO 0.00 1.26 -0.22 0.15 -0.87 0.00 0.00 176.83 177.16 3krp h PHE 119 N 0.33 0.00 -0.77 4.77 3.04 -1.24 -1.69 116.94 121.38 3krp h PHE 119 Ca -0.07 0.00 0.10 0.00 3.98 0.00 0.00 57.97 61.98 3krp h PHE 119 Cb 1.49 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.92 3krp h PHE 119 CO 0.07 0.22 0.41 0.00 -2.02 0.00 0.00 178.31 176.98 3krp h ALA 120 N 1.78 1.08 0.02 2.41 0.00 -0.85 0.11 119.26 123.83 3krp h ALA 120 Ca -0.00 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 3krp h ALA 120 Cb 0.41 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3krp h ALA 120 CO 0.03 0.01 -1.06 0.74 0.00 0.00 0.00 179.25 178.97 3krp h PHE 121 N 0.69 0.94 0.49 0.00 -1.00 -1.38 -3.08 116.94 113.59 3krp h PHE 121 Ca 0.38 -0.53 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 3krp h PHE 121 Cb 0.38 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 3krp h PHE 121 CO -0.09 1.36 -0.39 1.49 -1.61 0.00 0.00 178.31 179.08 3krp h GLU 122 N 0.34 -0.82 -0.84 1.51 4.81 -0.49 -0.29 114.58 118.79 3krp h GLU 122 Ca -0.13 0.06 0.21 0.00 -0.13 0.00 0.00 59.36 59.37 3krp h GLU 122 Cb 1.71 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 31.15 3krp h GLU 122 CO 0.20 -0.55 0.25 1.25 -0.73 0.00 0.00 179.01 179.43 3krp h HIS 123 N -0.85 0.39 -0.38 0.92 2.76 -0.94 0.93 115.15 117.97 3krp h HIS 123 Ca -0.06 0.05 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 3krp h HIS 123 Cb 0.71 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 3krp h HIS 123 CO -0.15 -0.14 -0.07 0.28 -1.30 0.00 0.00 177.93 176.55 3krp h VAL 124 N 0.27 1.27 -0.47 5.26 2.07 -1.40 0.28 116.25 123.53 3krp h VAL 124 Ca 0.51 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 3krp h VAL 124 Cb 0.98 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 3krp h VAL 124 CO -0.59 0.38 -0.13 0.00 0.02 0.00 0.00 177.57 177.25 3krp h ALA 125 N 0.84 0.65 0.00 1.67 0.00 0.47 -2.99 119.26 119.90 3krp h ALA 125 Ca 0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3krp h ALA 125 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3krp h ALA 125 CO 0.03 0.57 -1.90 0.00 0.00 0.00 0.00 179.25 177.95 3krp n ALA 126 N -2.48 2.66 -0.09 0.00 0.00 0.17 -4.54 120.51 116.23 3krp n ALA 126 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 53.44 52.81 3krp n ALA 126 Cb 0.40 -0.75 -0.16 0.00 0.00 0.00 0.00 19.45 18.94 3krp n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krp n ALA 127 N -2.29 1.56 -1.67 0.00 0.00 0.99 -4.93 120.51 114.18 3krp n ALA 127 Ca -0.06 -1.23 -0.46 0.00 0.00 0.00 0.00 53.44 51.70 3krp n ALA 127 Cb 0.62 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 3krp n ALA 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3krp n THR 128 N -2.76 0.65 -4.41 0.00 -1.04 -1.13 -4.96 114.28 100.63 3krp n THR 128 Ca -0.30 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.05 61.38 3krp n THR 128 Cb 1.12 -2.05 -0.10 0.00 -1.82 0.00 0.00 70.33 67.47 3krp n THR 128 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3krp s LYS 129 N 4.17 1.50 0.00 -2.82 1.02 -1.26 -4.79 119.74 117.55 3krp s LYS 129 Ca 0.91 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3krp s LYS 129 Cb -0.59 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.25 3krp s LYS 129 CO 0.47 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 3krp n GLY 130 N -0.43 0.58 3.37 -3.33 0.00 -1.26 -4.51 105.19 99.61 3krp n GLY 130 Ca -0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 3krp n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krp s ALA 131 N -2.00 -1.19 0.28 4.61 0.00 -1.26 -5.04 121.76 117.16 3krp s ALA 131 Ca 0.00 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 3krp s ALA 131 Cb 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.55 3krp s ALA 131 CO 0.00 -0.26 1.13 -1.25 0.00 0.00 0.00 175.76 175.38 3krp s PRO 132 N -0.33 4.60 0.53 0.00 0.04 -1.26 -4.80 135.00 133.78 3krp s PRO 132 Ca -0.05 1.85 0.46 0.00 0.04 0.00 0.00 61.00 63.30 3krp s PRO 132 Cb -0.03 -3.18 1.67 0.00 0.04 0.00 0.00 34.50 33.00 3krp s PRO 132 CO 0.03 0.15 1.59 -1.35 0.04 0.00 0.00 177.00 177.46 3krp h PRO 133 N 3.87 0.01 -0.31 0.56 0.11 -1.99 1.79 132.00 136.04 3krp h PRO 133 Ca -0.47 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3krp h PRO 133 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3krp h PRO 133 CO 0.67 0.00 -0.21 1.05 -0.21 0.00 0.00 178.00 179.31 3krp h GLU 134 N 0.01 0.59 -0.03 1.05 -0.00 -1.99 0.16 114.58 114.36 3krp h GLU 134 Ca 0.90 -0.22 -0.04 0.00 -0.00 0.00 0.00 59.36 60.00 3krp h GLU 134 Cb 3.47 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 32.18 3krp h GLU 134 CO -0.11 0.76 -0.15 -0.09 -0.00 0.00 0.00 179.01 179.42 3krp h ARG 135 N 0.52 0.16 0.24 1.06 2.43 0.24 -2.53 114.38 116.49 3krp h ARG 135 Ca 0.08 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3krp h ARG 135 Cb 0.65 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 3krp h ARG 135 CO 0.05 0.78 -0.21 0.82 -1.51 0.00 0.00 179.97 179.90 3krp h ILE 136 N -0.43 0.54 -0.61 1.20 2.04 -1.27 0.15 117.51 119.12 3krp h ILE 136 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3krp h ILE 136 Cb 0.81 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 3krp h ILE 136 CO 0.03 0.00 0.20 0.58 0.00 0.00 0.00 178.15 178.97 3krp h VAL 137 N -0.47 0.73 -0.17 1.67 2.07 -1.06 0.23 116.25 119.24 3krp h VAL 137 Ca -0.01 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3krp h VAL 137 Cb 0.43 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3krp h VAL 137 CO -0.03 0.07 -0.08 -0.09 0.02 0.00 0.00 177.57 177.45 3krp h ARG 138 N 0.37 -0.07 -0.45 1.57 2.43 -1.03 0.02 114.38 117.22 3krp h ARG 138 Ca 0.32 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.50 3krp h ARG 138 Cb 0.42 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3krp h ARG 138 CO -0.34 -0.04 0.30 0.28 -1.51 0.00 0.00 179.97 178.65 3krp h VAL 139 N -0.07 1.11 -0.51 0.20 2.07 0.29 -1.11 116.25 118.24 3krp h VAL 139 Ca 0.09 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 3krp h VAL 139 Cb 0.21 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3krp h VAL 139 CO -0.21 0.11 -0.15 -0.07 0.02 0.00 0.00 177.57 177.27 3krp h LEU 140 N 0.59 1.01 -0.67 2.57 3.38 0.58 -2.24 115.31 120.53 3krp h LEU 140 Ca 0.17 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3krp h LEU 140 Cb -0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 3krp h LEU 140 CO -0.04 1.15 0.43 1.23 0.09 0.00 0.00 178.44 181.30 3krp h GLY 141 N 0.86 0.95 1.14 0.83 0.00 0.18 -1.21 103.07 105.82 3krp h GLY 141 Ca 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3krp h GLY 141 CO 0.06 0.31 0.38 0.83 0.00 0.00 0.00 176.54 178.12 3krp h GLU 142 N 0.87 1.11 -0.43 4.80 4.39 -1.13 -1.49 114.58 122.70 3krp h GLU 142 Ca 0.26 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 3krp h GLU 142 Cb -0.06 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 3krp h GLU 142 CO -0.07 0.85 0.05 1.25 -1.16 0.00 0.00 179.01 179.92 3krp h LEU 143 N 1.10 0.71 -0.16 1.33 5.85 -1.09 -2.31 115.31 120.74 3krp h LEU 143 Ca 0.27 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3krp h LEU 143 Cb 0.10 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3krp h LEU 143 CO -0.04 0.81 -0.20 0.00 -0.34 0.00 0.00 178.44 178.67 3krp h ALA 144 N 0.92 -0.12 0.00 1.25 0.00 -0.72 -2.09 119.26 118.51 3krp h ALA 144 Ca 0.13 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3krp h ALA 144 Cb 0.42 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3krp h ALA 144 CO 0.01 -0.64 -0.35 0.28 0.00 0.00 0.00 179.25 178.55 3krp h VAL 145 N -0.24 1.22 0.00 0.00 2.07 -1.24 -2.36 116.25 115.70 3krp h VAL 145 Ca 0.11 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.42 3krp h VAL 145 Cb 0.40 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3krp h VAL 145 CO -0.30 0.34 0.00 0.77 0.02 0.00 0.00 177.57 178.41 3krp h SER 146 N 0.00 0.00 0.00 0.57 4.64 -0.80 -3.27 113.55 114.69 3krp h SER 146 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3krp h SER 146 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3krp h SER 146 CO 0.05 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 3krp n ILE 147 N -2.53 0.00 -0.04 0.95 -5.35 -1.05 -1.02 119.36 110.33 3krp n ILE 147 Ca 0.02 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3krp n ILE 147 Cb 0.30 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 3krp n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3krp n GLY 148 N 0.15 1.01 0.58 3.28 0.00 -0.91 -2.83 105.19 106.47 3krp n GLY 148 Ca 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 46.02 44.63 3krp n GLY 148 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krp n SER 149 N 0.00 1.67 -0.19 1.61 7.64 -1.26 -2.30 113.62 120.79 3krp n SER 149 Ca 0.00 -2.04 0.04 0.00 1.01 0.00 0.00 58.87 57.89 3krp n SER 149 Cb 0.00 -0.23 0.06 0.00 -1.01 0.00 0.00 64.21 63.03 3krp n SER 149 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3krp n GLU 150 N 0.33 1.00 0.00 1.43 1.02 -1.26 -4.45 120.64 118.70 3krp n GLU 150 Ca 0.10 -1.73 0.00 0.00 -0.02 0.00 0.00 57.16 55.51 3krp n GLU 150 Cb 0.28 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 3krp n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krp n GLY 151 N -0.72 4.29 0.34 0.62 0.00 -1.17 -4.84 105.19 103.71 3krp n GLY 151 Ca 0.07 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 3krp n GLY 151 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3krp n LEU 152 N 0.00 -0.85 -0.04 0.99 7.94 -0.19 -0.35 117.00 124.50 3krp n LEU 152 Ca 0.00 1.50 0.04 0.00 -1.11 0.00 0.00 56.01 56.44 3krp n LEU 152 Cb 0.00 -0.22 0.40 0.00 0.53 0.00 0.00 43.42 44.13 3krp n LEU 152 CO 0.00 -1.20 1.18 0.58 -1.11 0.00 0.00 177.39 176.84 3krp h VAL 153 N 0.00 1.11 -0.41 1.96 2.07 -1.30 -1.04 116.25 118.63 3krp h VAL 153 Ca 0.13 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3krp h VAL 153 Cb 0.33 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3krp h VAL 153 CO -0.75 0.11 0.22 0.00 0.02 0.00 0.00 177.57 177.18 3krp h ALA 154 N 1.71 0.53 -0.53 1.67 0.00 -0.28 -0.40 119.26 121.94 3krp h ALA 154 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3krp h ALA 154 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3krp h ALA 154 CO -0.04 0.06 0.08 0.78 0.00 0.00 0.00 179.25 180.12 3krp h GLY 155 N 0.53 0.96 2.00 0.00 0.00 -0.65 -2.43 103.07 103.48 3krp h GLY 155 Ca 0.14 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3krp h GLY 155 CO -0.02 0.60 0.00 -0.18 0.00 0.00 0.00 176.54 176.94 3krp n GLN 156 N -4.36 0.21 -0.02 4.80 -0.06 -0.45 -2.30 117.38 115.20 3krp n GLN 156 Ca 0.02 0.33 -0.21 0.00 -2.00 0.00 0.00 57.00 55.14 3krp n GLN 156 Cb 0.27 -1.83 -0.13 0.00 -4.06 0.00 0.00 30.24 24.49 3krp n GLN 156 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3krp h VAL 157 N 0.00 1.01 -0.26 1.69 2.07 -0.85 -3.24 116.25 116.67 3krp h VAL 157 Ca 0.00 -2.35 -0.05 0.00 0.82 0.00 0.00 66.70 65.12 3krp h VAL 157 Cb 0.51 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 3krp h VAL 157 CO 0.00 0.65 -0.07 0.58 0.02 0.00 0.00 177.57 178.75 3krp h VAL 158 N -0.44 1.19 -0.49 2.57 2.07 -1.44 -2.11 116.25 117.61 3krp h VAL 158 Ca -0.31 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.31 3krp h VAL 158 Cb 1.66 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3krp h VAL 158 CO 0.01 0.27 -0.06 -0.78 0.02 0.00 0.00 177.57 177.03 3krp h ASP 159 N 0.40 0.83 1.62 0.57 3.58 -1.59 -1.06 116.42 120.77 3krp h ASP 159 Ca 0.08 -0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.23 3krp h ASP 159 Cb 0.37 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 3krp h ASP 159 CO 0.02 0.93 -0.38 0.58 -2.88 0.00 0.00 179.24 177.50 3krp h VAL 160 N 0.78 0.58 -0.01 2.25 2.07 -1.52 -3.03 116.25 117.37 3krp h VAL 160 Ca 0.14 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.84 3krp h VAL 160 Cb 0.55 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3krp h VAL 160 CO 0.03 0.33 -0.05 0.00 0.02 0.00 0.00 177.57 177.90 3krp n SER 162 N 0.10 0.94 0.00 0.00 7.64 -0.42 -4.37 113.62 117.51 3krp n SER 162 Ca 0.17 -0.32 0.03 0.00 1.01 0.00 0.00 58.87 59.76 3krp n SER 162 Cb 0.37 1.51 0.13 0.00 -1.01 0.00 0.00 64.21 65.21 3krp n SER 162 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3krp n GLU 163 N -1.85 0.04 -0.04 1.43 1.02 -1.20 -2.25 120.64 117.79 3krp n GLU 163 Ca -0.01 0.31 -0.22 0.00 -0.02 0.00 0.00 57.16 57.22 3krp n GLU 163 Cb 0.39 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 3krp n GLU 163 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krp n GLY 164 N -0.88 -0.61 3.65 0.62 0.00 -1.26 -4.84 105.19 101.87 3krp n GLY 164 Ca 0.02 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3krp n GLY 164 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3krp s MET 165 N -2.50 4.19 0.00 1.61 0.23 -0.96 -4.94 119.30 116.94 3krp s MET 165 Ca -0.26 0.69 0.24 0.00 -1.03 0.00 0.00 55.69 55.34 3krp s MET 165 Cb 0.07 -3.60 0.66 0.00 -1.53 0.00 0.00 34.83 30.43 3krp s MET 165 CO 0.70 -0.33 1.52 0.00 -2.03 0.00 0.00 175.02 174.88 3krp n ALA 166 N 5.35 2.51 -3.20 3.16 0.00 -1.26 -4.54 120.51 122.52 3krp n ALA 166 Ca 0.00 -0.61 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 3krp n ALA 166 Cb 0.49 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3krp n ALA 166 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3krp n GLU 167 N 0.71 3.74 -3.80 0.00 2.13 -1.26 -4.69 120.64 117.47 3krp n GLU 167 Ca 0.17 -4.57 -0.36 0.00 0.66 0.00 0.00 57.16 53.06 3krp n GLU 167 Cb 0.45 -2.44 -0.07 0.00 0.27 0.00 0.00 31.44 29.65 3krp n GLU 167 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3krp s VAL 168 N -2.44 5.45 0.43 6.31 1.01 -1.26 -5.10 120.40 124.80 3krp s VAL 168 Ca 0.33 0.23 0.07 0.00 0.00 0.00 0.00 61.98 62.61 3krp s VAL 168 Cb 0.05 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3krp s VAL 168 CO 0.04 0.54 0.59 -0.83 0.00 0.00 0.00 175.10 175.44 3krp s GLY 169 N -0.43 1.94 0.51 4.51 0.00 -1.26 -4.90 107.32 107.69 3krp s GLY 169 Ca 0.13 -1.64 0.23 0.00 0.00 0.00 0.00 44.72 43.43 3krp s GLY 169 CO 0.02 -1.45 2.00 -2.00 0.00 0.00 0.00 173.10 171.67 3krp h LEU 170 N 0.58 0.07 0.03 0.66 5.85 -1.98 0.21 115.31 120.73 3krp h LEU 170 Ca -0.40 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 3krp h LEU 170 Cb 1.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3krp h LEU 170 CO 0.46 0.04 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.80 3krp h ASP 171 N 0.07 -0.04 -0.51 1.25 3.58 -1.98 0.38 116.42 119.17 3krp h ASP 171 Ca 0.24 -0.27 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 3krp h ASP 171 Cb 0.88 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 3krp h ASP 171 CO -0.02 0.25 -0.09 -0.74 -2.88 0.00 0.00 179.24 175.76 3krp h HIS 172 N -0.33 1.10 -0.27 0.28 2.76 -1.43 -2.57 115.15 114.70 3krp h HIS 172 Ca -0.00 -0.22 -0.05 0.00 -2.20 0.00 0.00 60.37 57.89 3krp h HIS 172 Cb 0.30 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 3krp h HIS 172 CO 0.02 1.02 -0.04 1.25 -1.30 0.00 0.00 177.93 178.89 3krp h LEU 173 N 0.89 0.50 -1.91 0.26 5.85 -0.60 -2.66 115.31 117.64 3krp h LEU 173 Ca 0.14 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3krp h LEU 173 Cb 0.65 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3krp h LEU 173 CO 0.04 0.72 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.46 3krp h GLU 174 N 0.27 0.00 -0.00 1.25 5.08 -0.87 -2.08 114.58 118.22 3krp h GLU 174 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3krp h GLU 174 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3krp h GLU 174 CO 0.02 0.08 -0.03 0.35 -1.00 0.00 0.00 179.01 178.43 3krp h PHE 175 N 0.00 0.04 -0.99 4.33 3.04 -1.26 -1.55 116.94 120.55 3krp h PHE 175 Ca -0.00 -0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.08 3krp h PHE 175 Cb 0.36 -0.01 -0.09 0.00 2.56 0.00 0.00 35.95 38.77 3krp h PHE 175 CO 0.00 0.71 0.62 0.82 -2.02 0.00 0.00 178.31 178.44 3krp h ILE 176 N -0.64 0.82 -0.01 1.41 2.04 -1.21 -1.54 117.51 118.38 3krp h ILE 176 Ca -0.00 -0.30 -0.22 0.00 1.00 0.00 0.00 64.86 65.34 3krp h ILE 176 Cb 0.72 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3krp h ILE 176 CO 0.01 0.16 -0.93 0.45 0.00 0.00 0.00 178.15 177.84 3krp h HIS 177 N 0.86 0.61 -0.24 1.37 3.86 -1.36 -0.36 115.15 119.89 3krp h HIS 177 Ca 0.53 -0.33 -0.13 0.00 -1.16 0.00 0.00 60.37 59.28 3krp h HIS 177 Cb 0.70 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 3krp h HIS 177 CO -0.00 1.14 -0.40 1.25 0.86 0.00 0.00 177.93 180.78 3krp h HIS 178 N 0.24 0.67 0.15 2.45 -0.00 -0.57 -1.83 115.15 116.26 3krp h HIS 178 Ca -0.08 -0.19 -0.34 0.00 -0.00 0.00 0.00 60.37 59.76 3krp h HIS 178 Cb 1.56 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 28.82 3krp h HIS 178 CO 0.06 0.87 -1.78 0.45 -0.00 0.00 0.00 177.93 177.53 3krp h HIS 179 N 0.47 0.58 -0.00 5.26 3.86 -1.36 0.17 115.15 124.12 3krp h HIS 179 Ca 0.04 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 3krp h HIS 179 Cb 0.90 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.34 3krp h HIS 179 CO 0.04 1.70 -0.05 1.17 0.86 0.00 0.00 177.93 181.65 3krp n LYS 180 N -3.63 0.19 0.12 2.45 4.81 -0.15 -1.77 118.16 120.20 3krp n LYS 180 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.14 3krp n LYS 180 Cb 1.03 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.58 3krp n LYS 180 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3krp n THR 181 N -1.39 0.25 0.21 3.15 -1.04 -0.72 -4.91 114.28 109.83 3krp n THR 181 Ca 0.10 0.08 0.06 0.00 -2.04 0.00 0.00 64.05 62.25 3krp n THR 181 Cb 0.30 -0.70 0.46 0.00 -1.82 0.00 0.00 70.33 68.57 3krp n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3krp h ALA 182 N 0.00 1.28 -0.15 2.41 0.00 -1.24 -3.20 119.26 118.37 3krp h ALA 182 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.69 3krp h ALA 182 Cb 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3krp h ALA 182 CO 0.00 0.36 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 3krp h ALA 183 N 1.71 -0.23 -0.43 0.00 0.00 -0.84 0.72 119.26 120.18 3krp h ALA 183 Ca -0.00 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3krp h ALA 183 Cb 0.61 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3krp h ALA 183 CO 0.04 -0.71 -0.25 1.25 0.00 0.00 0.00 179.25 179.57 3krp h LEU 184 N -0.31 0.92 -0.93 0.00 5.85 -1.70 -0.58 115.31 118.56 3krp h LEU 184 Ca 0.11 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3krp h LEU 184 Cb 0.48 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3krp h LEU 184 CO -0.33 1.12 0.35 -0.07 -0.34 0.00 0.00 178.44 179.18 3krp h LEU 185 N 0.76 1.02 -0.32 2.25 3.38 -1.44 0.02 115.31 120.99 3krp h LEU 185 Ca 0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3krp h LEU 185 Cb 0.81 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3krp h LEU 185 CO 0.07 0.88 0.18 -0.61 0.09 0.00 0.00 178.44 179.05 3krp h GLN 186 N 1.11 0.44 0.52 1.13 4.15 0.80 -1.83 115.11 121.43 3krp h GLN 186 Ca 0.27 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 3krp h GLN 186 Cb 0.14 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3krp h GLN 186 CO -0.03 0.36 -0.42 0.78 -1.93 0.00 0.00 178.83 177.59 3krp h GLY 187 N 0.40 -1.06 -0.44 2.39 0.00 -0.27 -1.46 103.07 102.62 3krp h GLY 187 Ca 0.11 0.48 0.09 0.00 0.00 0.00 0.00 47.33 48.01 3krp h GLY 187 CO -0.02 -0.36 -0.42 1.76 0.00 0.00 0.00 176.54 177.51 3krp h SER 188 N -0.93 -1.43 -0.34 0.19 0.02 -0.86 0.18 113.55 110.37 3krp h SER 188 Ca -0.06 0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3krp h SER 188 Cb 0.79 0.65 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 3krp h SER 188 CO -0.01 -0.34 0.10 1.62 -1.14 0.00 0.00 176.83 177.07 3krp h VAL 189 N -0.24 1.19 -0.15 2.27 3.04 -1.27 -2.37 116.25 118.73 3krp h VAL 189 Ca 0.18 -0.66 -0.15 0.00 -1.01 0.00 0.00 66.70 65.06 3krp h VAL 189 Cb 0.56 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 3krp h VAL 189 CO -0.66 0.24 -0.54 0.58 -1.01 0.00 0.00 177.57 176.18 3krp h VAL 190 N 0.61 1.34 0.05 1.51 2.07 0.10 -2.68 116.25 119.24 3krp h VAL 190 Ca 0.14 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 3krp h VAL 190 Cb 0.23 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3krp h VAL 190 CO -0.00 0.55 -0.03 -0.07 0.02 0.00 0.00 177.57 178.04 3krp h LEU 191 N 0.33 -0.06 -0.52 2.57 3.38 -0.26 -1.96 115.31 118.79 3krp h LEU 191 Ca 0.01 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.84 3krp h LEU 191 Cb 1.05 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 3krp h LEU 191 CO 0.09 0.20 0.10 1.23 0.09 0.00 0.00 178.44 180.15 3krp h GLY 192 N -0.32 0.63 1.02 0.83 0.00 -1.43 -1.80 103.07 102.01 3krp h GLY 192 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3krp h GLY 192 CO 0.01 -0.08 0.30 0.00 0.00 0.00 0.00 176.54 176.77 3krp h ALA 193 N 1.41 0.92 0.05 3.60 0.00 -1.37 -1.08 119.26 122.80 3krp h ALA 193 Ca 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3krp h ALA 193 Cb 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3krp h ALA 193 CO -0.35 0.53 -0.03 0.82 0.00 0.00 0.00 179.25 180.22 3krp h ILE 194 N 1.01 1.17 0.00 0.00 2.04 -1.06 0.36 117.51 121.03 3krp h ILE 194 Ca 0.24 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3krp h ILE 194 Cb 0.18 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3krp h ILE 194 CO -0.02 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 178.25 3krp h LEU 195 N -0.41 0.00 -0.39 1.44 3.38 -1.28 -0.85 115.31 117.21 3krp h LEU 195 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3krp h LEU 195 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3krp h LEU 195 CO 0.01 0.00 -0.23 0.61 0.09 0.00 0.00 178.44 178.92 3krp n GLY 196 N -0.75 -0.75 1.24 0.83 0.00 -0.42 -4.88 105.19 100.47 3krp n GLY 196 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3krp n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krp n GLY 197 N 1.34 0.83 3.75 -0.02 0.00 -0.32 -4.11 105.19 106.65 3krp n GLY 197 Ca 0.12 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3krp n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krp s GLY 198 N -2.62 2.90 0.90 -0.02 0.00 0.08 -5.02 107.32 103.54 3krp s GLY 198 Ca 0.00 0.94 -0.10 0.00 0.00 0.00 0.00 44.72 45.55 3krp s GLY 198 CO 0.00 1.68 1.12 0.54 0.00 0.00 0.00 173.10 176.43 3krp s LYS 199 N -0.95 1.19 0.39 2.90 1.02 -1.26 -4.73 119.74 118.30 3krp s LYS 199 Ca 0.48 1.33 0.07 0.00 0.02 0.00 0.00 55.97 57.87 3krp s LYS 199 Cb -0.33 -1.76 0.78 0.00 -0.52 0.00 0.00 37.83 36.01 3krp s LYS 199 CO 0.40 -2.44 1.99 1.49 -0.92 0.00 0.00 175.35 175.88 3krp h GLU 200 N -1.72 0.50 0.35 1.68 4.57 -1.98 -0.97 114.58 117.01 3krp h GLU 200 Ca -0.45 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 3krp h GLU 200 Cb 1.27 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3krp h GLU 200 CO 0.46 0.41 -0.17 1.49 -1.18 0.00 0.00 179.01 180.02 3krp h GLU 201 N 0.50 -0.46 -0.18 1.92 4.81 -2.00 -0.26 114.58 118.92 3krp h GLU 201 Ca 0.13 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3krp h GLU 201 Cb 0.09 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3krp h GLU 201 CO -0.01 -0.30 -0.11 0.93 -0.73 0.00 0.00 179.01 178.78 3krp h GLU 202 N -0.47 -0.10 -0.84 1.92 5.08 -1.80 -1.10 114.58 117.27 3krp h GLU 202 Ca -0.05 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 3krp h GLU 202 Cb 0.36 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3krp h GLU 202 CO 0.08 -0.07 0.55 0.28 -1.00 0.00 0.00 179.01 178.85 3krp h VAL 203 N -0.11 0.84 -0.34 3.13 2.07 -0.95 -2.04 116.25 118.85 3krp h VAL 203 Ca 0.11 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.25 3krp h VAL 203 Cb 0.26 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3krp h VAL 203 CO -0.25 0.11 -0.44 0.00 0.02 0.00 0.00 177.57 177.01 3krp h ALA 204 N 1.61 0.56 0.10 1.67 0.00 0.21 -2.18 119.26 121.24 3krp h ALA 204 Ca 0.41 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3krp h ALA 204 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3krp h ALA 204 CO -0.17 0.68 -0.05 0.87 0.00 0.00 0.00 179.25 180.58 3krp h LYS 205 N 0.71 -0.14 -0.76 0.00 1.57 -0.75 -2.40 116.57 114.81 3krp h LYS 205 Ca 0.05 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.93 3krp h LYS 205 Cb 1.03 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 3krp h LYS 205 CO 0.10 -0.03 0.50 -0.07 -0.57 0.00 0.00 179.45 179.38 3krp h LEU 206 N -0.21 0.62 -0.71 2.94 3.38 -1.42 0.17 115.31 120.08 3krp h LEU 206 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3krp h LEU 206 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3krp h LEU 206 CO 0.02 0.37 0.37 -0.09 0.09 0.00 0.00 178.44 179.20 3krp h ARG 207 N 0.69 1.01 0.15 1.13 2.43 -0.96 -1.53 114.38 117.30 3krp h ARG 207 Ca 0.35 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3krp h ARG 207 Cb 0.43 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3krp h ARG 207 CO -0.13 0.77 -0.07 0.87 -1.51 0.00 0.00 179.97 179.90 3krp h LYS 208 N 0.98 -0.20 -0.88 0.20 1.57 -0.46 -2.68 116.57 115.10 3krp h LYS 208 Ca 0.25 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.16 3krp h LYS 208 Cb 0.08 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.29 3krp h LYS 208 CO -0.04 0.13 -0.44 0.35 -0.57 0.00 0.00 179.45 178.89 3krp h PHE 209 N -0.55 -1.30 -0.47 -1.35 3.57 -0.60 0.15 116.94 116.40 3krp h PHE 209 Ca -0.02 0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.66 3krp h PHE 209 Cb 0.42 0.69 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 3krp h PHE 209 CO 0.03 -0.40 0.08 0.00 -2.23 0.00 0.00 178.31 175.79 3krp h ALA 210 N 1.00 0.50 -0.98 2.41 0.00 -1.24 -1.52 119.26 119.44 3krp h ALA 210 Ca 0.26 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.31 3krp h ALA 210 Cb 0.55 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3krp h ALA 210 CO -0.90 -0.33 0.64 -0.91 0.00 0.00 0.00 179.25 177.76 3krp h ASN 211 N 0.21 1.07 0.73 0.00 2.35 -0.43 0.57 115.58 120.07 3krp h ASN 211 Ca 0.23 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3krp h ASN 211 Cb 0.31 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.44 3krp h ASN 211 CO -0.32 0.73 -0.35 0.00 -1.65 0.00 0.00 177.43 175.84 3krp h ILE 213 N -1.15 0.22 -0.07 0.00 3.07 -1.10 0.59 117.51 119.07 3krp h ILE 213 Ca -0.10 -0.04 -0.03 0.00 1.55 0.00 0.00 64.86 66.24 3krp h ILE 213 Cb 0.75 1.03 -0.00 0.00 -0.27 0.00 0.00 36.82 38.33 3krp h ILE 213 CO 0.16 0.01 -0.08 1.23 -1.05 0.00 0.00 178.15 178.42 3krp h GLY 214 N 0.10 0.18 0.81 0.16 0.00 0.38 -2.37 103.07 102.33 3krp h GLY 214 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3krp h GLY 214 CO 0.00 0.17 -0.02 -2.00 0.00 0.00 0.00 176.54 174.70 3krp h LEU 215 N -0.28 0.35 -0.93 3.11 5.85 -0.07 -3.07 115.31 120.27 3krp h LEU 215 Ca 0.01 -0.33 0.25 0.00 0.84 0.00 0.00 57.88 58.65 3krp h LEU 215 Cb 0.60 -0.09 -0.17 0.00 0.37 0.00 0.00 40.66 41.37 3krp h LEU 215 CO 0.02 0.60 0.09 0.25 -0.34 0.00 0.00 178.44 179.06 3krp h LEU 216 N 0.09 -0.31 -0.29 2.25 5.85 0.14 -1.42 115.31 121.62 3krp h LEU 216 Ca 0.05 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3krp h LEU 216 Cb 0.43 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3krp h LEU 216 CO 0.01 -0.28 0.08 0.15 -0.34 0.00 0.00 178.44 178.06 3krp h PHE 217 N 0.07 0.13 0.00 1.25 3.57 -1.32 -1.26 116.94 119.38 3krp h PHE 217 Ca 0.57 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.98 3krp h PHE 217 Cb 1.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3krp h PHE 217 CO -0.41 0.05 -0.48 1.96 -2.23 0.00 0.00 178.31 177.20 3krp h GLN 218 N 0.19 0.00 0.33 1.11 1.08 -1.36 -0.63 115.11 115.83 3krp h GLN 218 Ca 0.13 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 3krp h GLN 218 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3krp h GLN 218 CO -0.16 0.48 -0.16 0.28 -0.95 0.00 0.00 178.83 178.32 3krp h VAL 219 N 0.00 0.00 -0.60 -0.54 2.07 -1.25 -1.87 116.25 114.06 3krp h VAL 219 Ca -0.00 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.02 3krp h VAL 219 Cb 0.89 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3krp h VAL 219 CO 0.06 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.65 3krp h VAL 220 N -1.07 0.79 0.00 2.57 2.07 -1.25 0.74 116.25 120.10 3krp h VAL 220 Ca -0.04 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 3krp h VAL 220 Cb 0.34 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3krp h VAL 220 CO 0.07 0.04 -0.43 -0.78 0.02 0.00 0.00 177.57 176.49 3krp h ASP 221 N 0.21 0.00 0.32 0.57 3.58 -1.11 -1.65 116.42 118.35 3krp h ASP 221 Ca 0.29 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.45 3krp h ASP 221 Cb 0.84 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.91 3krp h ASP 221 CO -0.05 0.43 -1.24 0.44 -2.88 0.00 0.00 179.24 175.94 3krp h ASP 222 N 0.00 0.69 -0.24 2.28 3.32 0.13 -3.19 116.42 119.41 3krp h ASP 222 Ca -0.00 -0.67 -0.01 0.00 0.02 0.00 0.00 57.03 56.37 3krp h ASP 222 Cb 0.84 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3krp h ASP 222 CO 0.06 1.50 0.12 0.40 -1.72 0.00 0.00 179.24 179.60 3krp h ILE 223 N 0.19 1.12 -0.57 0.35 2.04 -0.70 -3.12 117.51 116.82 3krp h ILE 223 Ca -0.17 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3krp h ILE 223 Cb 1.92 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 38.88 3krp h ILE 223 CO 0.22 0.12 0.33 -0.07 0.00 0.00 0.00 178.15 178.75 3krp h LEU 224 N 0.27 0.51 0.00 1.44 3.38 -1.40 -1.52 115.31 117.98 3krp h LEU 224 Ca 0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3krp h LEU 224 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3krp h LEU 224 CO -0.01 0.35 0.00 0.47 0.09 0.00 0.00 178.44 179.34 3krp n ASP 225 N -4.80 0.00 -0.05 -0.43 8.00 -1.18 -1.49 116.55 116.60 3krp n ASP 225 Ca 0.05 0.05 -0.06 0.00 0.71 0.00 0.00 54.79 55.54 3krp n ASP 225 Cb 0.11 -0.12 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 3krp n ASP 225 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3krp n VAL 226 N -1.12 0.66 -2.07 2.53 0.31 -0.62 -4.59 118.33 113.44 3krp n VAL 226 Ca 0.02 -0.36 -0.40 0.00 -0.01 0.00 0.00 64.34 63.59 3krp n VAL 226 Cb 0.02 -0.81 0.03 0.00 -0.91 0.00 0.00 33.84 32.18 3krp n VAL 226 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3krp n THR 227 N -2.51 3.99 0.00 2.52 -2.24 -0.56 -5.15 114.28 110.34 3krp n THR 227 Ca -0.17 -4.61 0.00 0.00 -2.27 0.00 0.00 64.05 56.99 3krp n THR 227 Cb 0.78 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 3krp n THR 227 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3krp n LYS 228 N -0.45 0.00 0.00 -0.78 2.85 -1.13 -4.91 118.16 113.73 3krp n LYS 228 Ca 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 3krp n LYS 228 Cb 0.25 -0.10 0.00 0.00 -0.65 0.00 0.00 35.03 34.53 3krp n LYS 228 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3krp n LYS 245 N -1.71 0.00 -4.00 -1.58 -0.00 -1.26 -5.13 118.16 104.48 3krp n LYS 245 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 3krp n LYS 245 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 34.92 3krp n LYS 245 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3krp s THR 246 N -0.98 0.13 0.08 0.58 2.01 -1.26 -5.01 115.64 111.19 3krp s THR 246 Ca 0.00 -1.06 -0.16 0.00 0.31 0.00 0.00 61.69 60.77 3krp s THR 246 Cb 0.00 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 72.06 3krp s THR 246 CO 0.00 -0.59 0.38 0.42 -0.69 0.00 0.00 174.62 174.14 3krp s THR 247 N -1.88 0.07 0.48 -0.82 -4.23 -1.26 -5.03 115.64 102.97 3krp s THR 247 Ca -0.12 -0.58 0.19 0.00 -1.18 0.00 0.00 61.69 60.00 3krp s THR 247 Cb -0.07 -1.06 0.36 0.00 1.34 0.00 0.00 72.50 73.07 3krp s THR 247 CO -0.03 -0.32 1.99 1.88 -0.54 0.00 0.00 174.62 177.60 3krp h TYR 248 N 2.76 0.21 -0.08 3.99 0.05 -1.92 -1.46 116.97 120.52 3krp h TYR 248 Ca -0.33 0.01 -0.22 0.00 0.05 0.00 0.00 58.73 58.24 3krp h TYR 248 Cb 1.22 -0.07 0.01 0.00 1.01 0.00 0.00 36.73 38.90 3krp h TYR 248 CO 0.38 0.09 -0.83 -1.35 -1.05 0.00 0.00 178.16 175.41 3krp h PRO 249 N 0.19 0.58 0.00 4.88 0.11 -1.89 0.20 132.00 136.08 3krp h PRO 249 Ca 0.26 -0.52 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 3krp h PRO 249 Cb 0.77 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3krp h PRO 249 CO -0.04 1.14 -0.24 0.87 -0.21 0.00 0.00 178.00 179.52 3krp h LYS 250 N 0.38 0.00 0.10 1.05 1.57 -1.66 0.28 116.57 118.28 3krp h LYS 250 Ca -0.06 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.41 3krp h LYS 250 Cb 1.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 3krp h LYS 250 CO 0.16 0.24 -1.67 -0.07 -0.57 0.00 0.00 179.45 177.53 3krp h LEU 251 N 0.00 0.33 -0.52 2.94 3.38 -1.18 -3.43 115.31 116.84 3krp h LEU 251 Ca -0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3krp h LEU 251 Cb 0.45 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3krp h LEU 251 CO 0.03 1.72 0.00 2.30 0.09 0.00 0.00 178.44 182.58 3krp n ILE 252 N -3.81 0.00 0.00 1.22 -5.35 0.69 -5.07 119.36 107.04 3krp n ILE 252 Ca -0.30 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 3krp n ILE 252 Cb 0.93 1.34 0.00 0.00 -1.74 0.00 0.00 39.64 40.17 3krp n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3krp n GLY 253 N 0.09 -1.54 0.31 3.28 0.00 0.97 -4.21 105.19 104.08 3krp n GLY 253 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 3krp n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3krp h VAL 254 N 0.00 0.00 -0.71 1.61 2.07 -1.86 0.19 116.25 117.55 3krp h VAL 254 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3krp h VAL 254 Cb 0.00 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.66 3krp h VAL 254 CO 0.00 0.00 -0.31 1.21 0.02 0.00 0.00 177.57 178.49 3krp n GLU 255 N -4.24 -0.20 -0.04 1.57 2.13 -1.26 0.82 120.64 119.41 3krp n GLU 255 Ca -0.07 1.08 -0.12 0.00 0.66 0.00 0.00 57.16 58.71 3krp n GLU 255 Cb 0.28 -1.60 -0.06 0.00 0.27 0.00 0.00 31.44 30.33 3krp n GLU 255 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3krp h LYS 256 N 0.00 0.24 -0.90 5.31 1.63 -1.68 -2.27 116.57 118.91 3krp h LYS 256 Ca 0.22 -0.07 0.18 0.00 -0.85 0.00 0.00 60.65 60.13 3krp h LYS 256 Cb 0.39 -0.03 -0.11 0.00 -0.60 0.00 0.00 32.23 31.89 3krp h LYS 256 CO -0.69 0.43 0.46 0.77 -3.45 0.00 0.00 179.45 176.97 3krp h SER 257 N 0.02 0.53 -0.42 4.20 0.02 0.36 0.17 113.55 118.43 3krp h SER 257 Ca 0.04 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3krp h SER 257 Cb 0.31 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3krp h SER 257 CO 0.00 0.17 0.14 0.11 -1.14 0.00 0.00 176.83 176.11 3krp h LYS 258 N 0.59 0.65 -0.58 3.45 1.57 -0.49 -1.46 116.57 120.29 3krp h LYS 258 Ca 0.52 -0.13 0.11 0.00 -1.87 0.00 0.00 60.65 59.27 3krp h LYS 258 Cb 0.83 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 3krp h LYS 258 CO -0.41 0.63 0.11 1.49 -0.57 0.00 0.00 179.45 180.69 3krp h GLU 259 N 0.54 0.23 0.14 3.15 4.81 -0.13 -0.80 114.58 122.52 3krp h GLU 259 Ca 0.14 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3krp h GLU 259 Cb 0.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3krp h GLU 259 CO -0.01 0.15 -0.11 0.35 -0.73 0.00 0.00 179.01 178.67 3krp h PHE 260 N 0.24 -0.28 -0.75 0.92 3.57 -0.75 -1.50 116.94 118.38 3krp h PHE 260 Ca 0.30 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.95 3krp h PHE 260 Cb 0.45 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 3krp h PHE 260 CO -0.26 -0.17 0.30 0.00 -2.23 0.00 0.00 178.31 175.95 3krp h ALA 261 N 0.58 1.05 -0.52 2.41 0.00 -0.26 0.42 119.26 122.95 3krp h ALA 261 Ca -0.01 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3krp h ALA 261 Cb 0.23 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3krp h ALA 261 CO -0.01 -0.21 -0.13 -0.44 0.00 0.00 0.00 179.25 178.46 3krp h ASP 262 N 0.44 1.00 -0.40 0.00 3.32 -0.87 0.13 116.42 120.03 3krp h ASP 262 Ca 0.41 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3krp h ASP 262 Cb 0.62 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3krp h ASP 262 CO -0.40 1.12 0.18 0.03 -1.72 0.00 0.00 179.24 178.45 3krp h ARG 263 N 0.88 0.58 -0.62 3.56 3.08 -0.07 0.19 114.38 121.98 3krp h ARG 263 Ca 0.13 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3krp h ARG 263 Cb 0.69 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3krp h ARG 263 CO 0.05 0.52 0.37 -0.07 -1.07 0.00 0.00 179.97 179.77 3krp h LEU 264 N 0.50 0.58 -0.48 3.04 3.38 0.16 0.95 115.31 123.44 3krp h LEU 264 Ca 0.14 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3krp h LEU 264 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3krp h LEU 264 CO -0.02 0.40 -0.49 -1.13 0.09 0.00 0.00 178.44 177.30 3krp h ASN 265 N 0.71 0.76 0.03 -0.43 -1.24 -0.70 -1.82 115.58 112.90 3krp h ASN 265 Ca 0.26 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 56.88 3krp h ASN 265 Cb 0.06 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.89 3krp h ASN 265 CO -0.12 1.12 -0.02 -0.09 -1.29 0.00 0.00 177.43 177.03 3krp h ARG 266 N 0.55 -0.04 0.08 6.67 2.43 -0.11 -2.40 114.38 121.56 3krp h ARG 266 Ca 0.03 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3krp h ARG 266 Cb 1.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3krp h ARG 266 CO 0.10 0.10 -0.10 1.49 -1.51 0.00 0.00 179.97 180.05 3krp h GLU 267 N -0.18 -0.20 -0.64 0.20 4.57 -0.80 -2.57 114.58 114.96 3krp h GLU 267 Ca -0.00 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.31 3krp h GLU 267 Cb 0.17 0.05 -0.09 0.00 -0.16 0.00 0.00 28.75 28.71 3krp h GLU 267 CO 0.01 -0.13 0.16 0.00 -1.18 0.00 0.00 179.01 177.86 3krp h ALA 268 N 0.70 0.79 0.00 2.92 0.00 -1.31 0.25 119.26 122.61 3krp h ALA 268 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3krp h ALA 268 Cb 0.21 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3krp h ALA 268 CO -0.04 -0.29 -0.03 1.96 0.00 0.00 0.00 179.25 180.85 3krp h GLN 269 N 0.29 0.00 0.02 0.00 4.20 -1.13 -2.62 115.11 115.88 3krp h GLN 269 Ca 0.34 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.82 3krp h GLN 269 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3krp h GLN 269 CO -0.42 0.03 -0.98 0.93 -0.67 0.00 0.00 178.83 177.72 3krp h GLU 270 N 0.00 0.35 -0.16 1.46 5.08 -0.56 -3.16 114.58 117.59 3krp h GLU 270 Ca -0.00 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 3krp h GLU 270 Cb 0.32 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3krp h GLU 270 CO 0.00 1.10 0.21 1.96 -1.00 0.00 0.00 179.01 181.28 3krp h GLN 271 N 0.18 0.00 -0.33 2.33 1.08 -1.19 -0.47 115.11 116.72 3krp h GLN 271 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3krp h GLN 271 Cb 1.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 3krp h GLN 271 CO 0.17 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.33 3krp n LEU 272 N -3.68 3.24 -0.19 1.46 4.77 -1.19 -4.59 117.00 116.82 3krp n LEU 272 Ca 0.01 -1.36 0.21 0.00 -0.03 0.00 0.00 56.01 54.85 3krp n LEU 272 Cb 0.32 -0.21 0.59 0.00 -2.33 0.00 0.00 43.42 41.79 3krp n LEU 272 CO 0.26 0.68 1.23 -0.07 -1.33 0.00 0.00 177.39 178.16 3krp h LEU 273 N 4.28 0.24 0.00 2.23 3.38 -1.14 -3.02 115.31 121.28 3krp h LEU 273 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3krp h LEU 273 Cb 0.94 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3krp h LEU 273 CO 0.00 0.10 -1.42 1.41 0.09 0.00 0.00 178.44 178.62 3krp n HIS 274 N -4.43 0.28 -1.11 1.13 8.25 -1.26 -4.93 115.22 113.15 3krp n HIS 274 Ca 0.17 0.08 -0.29 0.00 -0.26 0.00 0.00 57.72 57.42 3krp n HIS 274 Cb 0.74 -0.53 0.21 0.00 1.12 0.00 0.00 29.99 31.53 3krp n HIS 274 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3krp s PHE 275 N -3.35 1.43 0.27 4.41 0.40 -1.14 -4.90 117.98 115.10 3krp s PHE 275 Ca -0.02 0.78 -0.31 0.00 -0.60 0.00 0.00 56.93 56.79 3krp s PHE 275 Cb 0.13 -3.34 -0.12 0.00 0.51 0.00 0.00 43.02 40.21 3krp s PHE 275 CO 0.85 -3.35 1.60 0.72 0.70 0.00 0.00 175.22 175.73 3krp n HIS 276 N -4.45 2.75 -0.32 0.36 8.25 -1.26 -4.86 115.22 115.69 3krp n HIS 276 Ca 0.08 0.24 0.14 0.00 -0.26 0.00 0.00 57.72 57.92 3krp n HIS 276 Cb 0.58 -2.59 0.33 0.00 1.12 0.00 0.00 29.99 29.42 3krp n HIS 276 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3krp h PRO 277 N 5.07 0.46 -0.16 -0.41 0.11 -1.91 -0.43 132.00 134.73 3krp h PRO 277 Ca -0.46 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3krp h PRO 277 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3krp h PRO 277 CO 0.82 0.31 -0.24 0.45 -0.21 0.00 0.00 178.00 179.13 3krp h HIS 278 N 0.48 0.55 0.00 0.65 3.86 -2.01 -2.50 115.15 116.18 3krp h HIS 278 Ca 0.58 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.59 3krp h HIS 278 Cb 1.08 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 3krp h HIS 278 CO -0.09 0.87 -0.08 0.00 0.86 0.00 0.00 177.93 179.48 3krp h ARG 279 N 0.08 0.00 0.00 2.45 3.08 -1.74 -3.09 114.38 115.15 3krp h ARG 279 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3krp h ARG 279 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3krp h ARG 279 CO 0.06 0.08 -0.82 0.00 -1.07 0.00 0.00 179.97 178.22 3krp h ALA 280 N 1.92 0.61 -0.75 0.04 0.00 -1.10 -3.40 119.26 116.57 3krp h ALA 280 Ca -0.00 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.99 3krp h ALA 280 Cb 0.77 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.44 3krp h ALA 280 CO 0.01 0.07 -0.30 0.00 0.00 0.00 0.00 179.25 179.03 3krp h ALA 281 N 1.96 0.21 -0.44 0.00 0.00 -1.36 -1.92 119.26 117.71 3krp h ALA 281 Ca -0.01 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3krp h ALA 281 Cb 1.04 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.53 3krp h ALA 281 CO 0.00 -0.57 0.01 -1.35 0.00 0.00 0.00 179.25 177.35 3krp h PRO 282 N -0.07 0.12 -0.06 0.00 0.11 -1.79 0.18 132.00 130.48 3krp h PRO 282 Ca 0.31 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3krp h PRO 282 Cb 0.57 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.66 3krp h PRO 282 CO -0.80 0.08 0.01 -0.07 -0.21 0.00 0.00 178.00 177.01 3krp h LEU 283 N 0.12 0.09 -0.57 2.35 3.38 -1.73 0.22 115.31 119.17 3krp h LEU 283 Ca 0.22 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3krp h LEU 283 Cb 0.31 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 3krp h LEU 283 CO -0.35 0.30 0.10 0.40 0.09 0.00 0.00 178.44 178.98 3krp h ILE 284 N -0.12 0.64 -0.94 1.22 2.04 -1.08 0.30 117.51 119.56 3krp h ILE 284 Ca 0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3krp h ILE 284 Cb 0.25 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 3krp h ILE 284 CO 0.00 0.04 0.60 0.00 0.00 0.00 0.00 178.15 178.79 3krp h ALA 285 N 1.46 1.20 -0.17 1.87 0.00 -0.19 -1.57 119.26 121.87 3krp h ALA 285 Ca 0.30 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3krp h ALA 285 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3krp h ALA 285 CO -0.40 0.63 -0.35 1.25 0.00 0.00 0.00 179.25 180.38 3krp h LEU 286 N 1.29 0.36 0.76 0.00 5.85 0.10 -1.42 115.31 122.25 3krp h LEU 286 Ca 0.34 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3krp h LEU 286 Cb -0.10 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 40.84 3krp h LEU 286 CO -0.07 0.69 -0.37 0.00 -0.34 0.00 0.00 178.44 178.35 3krp h ALA 287 N 1.34 -1.02 -0.47 1.25 0.00 0.44 -1.60 119.26 119.19 3krp h ALA 287 Ca 0.03 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3krp h ALA 287 Cb 0.76 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 3krp h ALA 287 CO 0.06 -1.04 0.11 -0.91 0.00 0.00 0.00 179.25 177.47 3krp h ASN 288 N -1.09 0.04 -0.87 0.00 2.35 -1.30 -0.65 115.58 114.06 3krp h ASN 288 Ca -0.10 0.08 0.17 0.00 -0.55 0.00 0.00 56.30 55.89 3krp h ASN 288 Cb 0.80 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.20 3krp h ASN 288 CO 0.17 0.05 0.57 0.22 -1.65 0.00 0.00 177.43 176.79 3krp h TYR 289 N 0.25 0.67 0.00 1.19 5.03 -1.12 0.25 116.97 123.24 3krp h TYR 289 Ca 0.23 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.44 3krp h TYR 289 Cb 0.28 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.34 3krp h TYR 289 CO -0.20 0.22 -0.58 0.82 -1.32 0.00 0.00 178.16 177.10 3krp h ILE 290 N 0.54 1.29 0.12 1.81 2.04 -0.11 -3.32 117.51 119.88 3krp h ILE 290 Ca 0.44 -2.08 -0.19 0.00 1.00 0.00 0.00 64.86 64.03 3krp h ILE 290 Cb 0.91 2.16 0.01 0.00 -0.74 0.00 0.00 36.82 39.15 3krp h ILE 290 CO -0.19 0.57 -0.91 0.00 0.00 0.00 0.00 178.15 177.63 3krp h ALA 291 N 1.42 -0.01 -1.22 1.87 0.00 -0.12 -3.39 119.26 117.81 3krp h ALA 291 Ca -0.01 -0.79 -0.78 0.00 0.00 0.00 0.00 54.91 53.33 3krp h ALA 291 Cb 1.11 0.20 -0.28 0.00 0.00 0.00 0.00 17.79 18.83 3krp h ALA 291 CO 0.08 0.47 0.94 0.66 0.00 0.00 0.00 179.25 181.39 3krp n TYR 292 N -4.13 2.91 -4.00 0.00 0.53 0.23 -4.99 117.16 107.71 3krp n TYR 292 Ca -0.17 -2.55 -0.33 0.00 -1.02 0.00 0.00 57.90 53.83 3krp n TYR 292 Cb 0.81 -1.14 -0.06 0.00 -1.03 0.00 0.00 39.34 37.92 3krp n TYR 292 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 3krp s ARG 293 N -4.20 3.24 0.00 -0.72 0.52 -1.25 -4.92 118.95 111.63 3krp s ARG 293 Ca 0.44 -0.41 0.26 0.00 -0.52 0.00 0.00 55.73 55.50 3krp s ARG 293 Cb 0.28 -2.97 0.58 0.00 0.52 0.00 0.00 34.95 33.36 3krp s ARG 293 CO -0.23 0.66 1.46 -0.25 0.02 0.00 0.00 175.30 176.96 3krp n ASP 294 N 1.08 1.45 0.00 0.23 8.00 -1.26 -5.02 116.55 121.03 3krp n ASP 294 Ca -0.12 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.18 3krp n ASP 294 Cb 0.53 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 3krp n ASP 294 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35