#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kby h LEU 12 N 0.00 -0.60 -0.61 -2.12 7.12 -2.05 -0.54 115.31 116.50 1kby h LEU 12 Ca 0.00 0.19 0.04 0.00 0.13 0.00 0.00 57.88 58.24 1kby h LEU 12 Cb 0.00 0.40 -0.05 0.00 -0.53 0.00 0.00 40.66 40.48 1kby h LEU 12 CO 0.00 -0.21 0.35 0.00 -0.13 0.00 0.00 178.44 178.45 1kby h ALA 13 N 1.61 0.80 -0.44 1.25 0.00 -2.06 0.76 119.26 121.18 1kby h ALA 13 Ca 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1kby h ALA 13 Cb 0.46 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1kby h ALA 13 CO -0.65 0.05 0.12 0.77 0.00 0.00 0.00 179.25 179.54 1kby h SER 14 N 0.67 0.59 0.22 0.00 0.02 -1.64 -2.00 113.55 111.42 1kby h SER 14 Ca 0.26 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1kby h SER 14 Cb 0.10 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1kby h SER 14 CO -0.14 0.58 -0.11 0.25 -1.14 0.00 0.00 176.83 176.27 1kby h LEU 15 N 0.63 -0.25 0.04 5.07 5.85 -0.01 -2.64 115.31 124.00 1kby h LEU 15 Ca 0.15 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1kby h LEU 15 Cb 0.22 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1kby h LEU 15 CO -0.01 0.02 -0.49 0.00 -0.34 0.00 0.00 178.44 177.63 1kby h ALA 16 N 0.17 -0.84 -0.34 1.25 0.00 -0.62 -0.61 119.26 118.26 1kby h ALA 16 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kby h ALA 16 Cb 0.40 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1kby h ALA 16 CO 0.05 -1.05 0.23 0.97 0.00 0.00 0.00 179.25 179.45 1kby h ILE 17 N -0.66 1.09 -0.19 0.00 6.09 -1.44 -0.83 117.51 121.56 1kby h ILE 17 Ca 0.02 -0.16 -0.20 0.00 -1.37 0.00 0.00 64.86 63.16 1kby h ILE 17 Cb 0.71 0.58 0.01 0.00 0.47 0.00 0.00 36.82 38.59 1kby h ILE 17 CO -0.32 0.08 -0.65 0.22 -3.07 0.00 0.00 178.15 174.41 1kby h TYR 18 N 0.46 1.03 -0.34 2.19 3.20 -1.07 -2.68 116.97 119.75 1kby h TYR 18 Ca 0.13 -0.42 0.01 0.00 3.14 0.00 0.00 58.73 61.59 1kby h TYR 18 Cb -0.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 1kby h TYR 18 CO -0.00 1.24 0.21 0.77 -1.64 0.00 0.00 178.16 178.74 1kby h SER 19 N 0.52 0.34 -0.49 -2.11 0.02 -0.55 -2.80 113.55 108.48 1kby h SER 19 Ca -0.03 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1kby h SER 19 Cb 1.27 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.68 1kby h SER 19 CO 0.14 0.25 0.19 0.15 -1.14 0.00 0.00 176.83 176.41 1kby h PHE 20 N 0.42 0.33 -0.14 3.45 3.57 -1.11 -0.50 116.94 122.96 1kby h PHE 20 Ca 0.13 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1kby h PHE 20 Cb -0.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1kby h PHE 20 CO -0.07 0.12 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.60 1kby h TRP 21 N 0.37 0.21 -0.24 0.41 4.06 -1.23 0.17 115.95 119.70 1kby h TRP 21 Ca 0.23 -0.01 -0.19 0.00 2.06 0.00 0.00 58.89 60.98 1kby h TRP 21 Cb 0.23 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1kby h TRP 21 CO -0.15 0.26 -0.59 0.82 -3.56 0.00 0.00 178.44 175.21 1kby h ILE 22 N 0.20 1.28 0.04 1.49 2.04 -1.09 -2.41 117.51 119.07 1kby h ILE 22 Ca 0.05 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1kby h ILE 22 Cb 0.22 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1kby h ILE 22 CO 0.01 0.57 -0.06 0.15 0.00 0.00 0.00 178.15 178.83 1kby h PHE 23 N 0.58 -0.14 -0.48 1.37 3.57 -0.31 -2.42 116.94 119.12 1kby h PHE 23 Ca -0.01 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1kby h PHE 23 Cb 1.21 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1kby h PHE 23 CO 0.08 -0.09 0.33 1.25 -2.23 0.00 0.00 178.31 177.65 1kby h LEU 24 N -0.12 0.21 -0.35 0.59 5.85 -0.65 0.53 115.31 121.38 1kby h LEU 24 Ca 0.01 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 1kby h LEU 24 Cb 0.12 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 1kby h LEU 24 CO -0.03 0.13 -0.74 0.00 -0.34 0.00 0.00 178.44 177.46 1kby h ALA 25 N 1.76 0.53 -0.27 1.25 0.00 -1.06 -1.40 119.26 120.07 1kby h ALA 25 Ca 0.22 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 1kby h ALA 25 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1kby h ALA 25 CO -0.04 0.74 -0.54 0.78 0.00 0.00 0.00 179.25 180.19 1kby h GLY 26 N 1.11 0.87 0.96 0.00 0.00 -0.73 -2.38 103.07 102.91 1kby h GLY 26 Ca -0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.27 1kby h GLY 26 CO 0.13 0.90 0.20 -2.00 0.00 0.00 0.00 176.54 175.78 1kby h LEU 27 N 0.61 0.57 -1.25 3.11 5.85 -0.87 -1.10 115.31 122.23 1kby h LEU 27 Ca 0.02 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1kby h LEU 27 Cb 1.13 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1kby h LEU 27 CO 0.12 0.54 -0.32 0.40 -0.34 0.00 0.00 178.44 178.84 1kby h ILE 28 N 0.56 1.25 0.34 4.05 2.04 -1.22 -0.35 117.51 124.17 1kby h ILE 28 Ca 0.15 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1kby h ILE 28 Cb 0.12 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1kby h ILE 28 CO -0.02 0.34 -0.16 0.22 0.00 0.00 0.00 178.15 178.53 1kby h TYR 29 N 0.08 -0.42 -0.30 1.37 3.20 -1.07 -0.96 116.97 118.87 1kby h TYR 29 Ca 0.01 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1kby h TYR 29 Cb 0.61 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 1kby h TYR 29 CO 0.00 -0.12 -0.15 -0.92 -1.64 0.00 0.00 178.16 175.33 1kby h TYR 30 N -0.72 -0.38 -0.61 -3.82 3.20 -1.05 -1.71 116.97 111.89 1kby h TYR 30 Ca -0.05 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1kby h TYR 30 Cb 0.50 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.93 1kby h TYR 30 CO 0.01 -0.23 0.34 -0.07 -1.64 0.00 0.00 178.16 176.58 1kby h LEU 31 N -0.11 0.53 -0.33 2.82 3.38 -1.01 -1.53 115.31 119.06 1kby h LEU 31 Ca 0.16 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1kby h LEU 31 Cb 0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1kby h LEU 31 CO -0.37 0.36 -0.04 -0.61 0.09 0.00 0.00 178.44 177.86 1kby h GLN 32 N 0.66 0.61 -0.24 1.13 5.75 -0.63 -2.77 115.11 119.62 1kby h GLN 32 Ca 0.26 -0.22 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1kby h GLN 32 Cb 0.11 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1kby h GLN 32 CO -0.14 0.77 -0.10 1.79 -2.65 0.00 0.00 178.83 178.49 1kby h THR 33 N 0.40 1.20 0.00 2.39 1.35 -1.17 -2.16 112.91 114.93 1kby h THR 33 Ca 0.09 -0.88 -0.04 0.00 -0.55 0.00 0.00 66.41 65.03 1kby h THR 33 Cb 0.52 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1kby h THR 33 CO 0.02 0.28 -0.21 -0.08 -0.25 0.00 0.00 175.52 175.29 1kby h GLU 34 N 0.36 0.00 -0.56 4.72 4.57 -1.12 -2.38 114.58 120.17 1kby h GLU 34 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1kby h GLU 34 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1kby h GLU 34 CO 0.02 0.21 0.00 0.09 -1.18 0.00 0.00 179.01 178.15 1kby n ASN 35 N -4.06 2.72 -0.55 1.04 3.02 -0.81 -3.81 115.26 112.80 1kby n ASN 35 Ca -0.02 -2.22 0.05 0.00 -0.03 0.00 0.00 54.58 52.36 1kby n ASN 35 Cb 0.29 -0.41 0.12 0.00 -0.61 0.00 0.00 39.78 39.17 1kby n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1kby n MET 36 N 0.51 2.58 0.00 3.52 2.81 -0.90 -4.61 117.12 121.04 1kby n MET 36 Ca 0.14 -1.88 0.08 0.00 -1.81 0.00 0.00 57.70 54.22 1kby n MET 36 Cb 0.52 -1.23 0.46 0.00 -0.71 0.00 0.00 33.22 32.25 1kby n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1kby n ARG 37 N 0.42 0.66 -3.77 0.03 1.74 -1.25 -4.30 116.66 110.20 1kby n ARG 37 Ca 0.10 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.05 1kby n ARG 37 Cb 0.39 -1.37 -0.12 0.00 -1.02 0.00 0.00 32.46 30.34 1kby n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1kby s GLU 38 N -2.00 0.23 0.00 5.56 0.41 -1.26 -4.18 118.70 117.46 1kby s GLU 38 Ca 0.23 0.40 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 1kby s GLU 38 Cb 0.11 0.02 0.00 0.00 -1.78 0.00 0.00 34.13 32.47 1kby s GLU 38 CO 0.18 -0.09 0.00 0.41 -0.49 0.00 0.00 175.26 175.27 1kby n GLY 39 N 3.52 1.86 3.76 -1.39 0.00 -1.26 -5.04 105.19 106.65 1kby n GLY 39 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1kby n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kby s TYR 40 N -2.48 3.06 0.74 1.61 1.51 -1.26 -4.36 117.35 116.18 1kby s TYR 40 Ca 0.00 -0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 55.89 1kby s TYR 40 Cb 0.00 -1.46 0.04 0.00 -0.11 0.00 0.00 41.96 40.43 1kby s TYR 40 CO 0.00 0.52 1.08 -1.25 -1.11 0.00 0.00 175.55 174.80 1kby s PRO 41 N -3.14 2.48 0.84 -1.71 0.04 -1.26 -4.87 135.00 127.37 1kby s PRO 41 Ca 0.30 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1kby s PRO 41 Cb -0.10 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1kby s PRO 41 CO 0.22 -1.47 1.14 -0.51 0.04 0.00 0.00 177.00 176.42 1kby s LEU 42 N -5.75 2.99 0.24 -3.56 1.43 -1.26 -4.92 118.68 107.84 1kby s LEU 42 Ca 0.61 2.09 0.02 0.00 -1.03 0.00 0.00 54.13 55.82 1kby s LEU 42 Cb -0.16 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.45 1kby s LEU 42 CO 0.55 -2.61 0.06 -1.61 0.23 0.00 0.00 176.35 172.97 1kby s GLU 43 N -4.61 1.33 0.56 1.70 2.02 -1.26 -1.57 118.70 116.87 1kby s GLU 43 Ca 0.66 -1.70 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 1kby s GLU 43 Cb -0.22 -0.31 0.02 0.00 0.10 0.00 0.00 34.13 33.73 1kby s GLU 43 CO 0.55 -0.23 0.82 -0.80 0.02 0.00 0.00 175.26 175.62 1kby s ASN 44 N -3.28 5.44 0.17 -0.19 0.01 0.26 -4.60 114.94 112.74 1kby s ASN 44 Ca 0.33 0.35 0.10 0.00 -0.71 0.00 0.00 52.86 52.93 1kby s ASN 44 Cb 0.07 -1.33 0.54 0.00 0.41 0.00 0.00 41.25 40.95 1kby s ASN 44 CO 0.11 -1.08 1.26 -0.62 -1.51 0.00 0.00 177.10 175.26 1kby n GLU 45 N -2.44 0.06 -0.62 -0.60 1.02 -1.26 -0.83 120.64 115.99 1kby n GLU 45 Ca 0.05 0.53 0.09 0.00 -0.02 0.00 0.00 57.16 57.81 1kby n GLU 45 Cb 0.59 -1.79 0.35 0.00 -0.02 0.00 0.00 31.44 30.56 1kby n GLU 45 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1kby n ASP 46 N -1.83 4.74 0.00 1.62 5.75 -1.26 -4.93 116.55 120.63 1kby n ASP 46 Ca -0.01 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.24 1kby n ASP 46 Cb 0.10 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1kby n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kby n GLY 47 N 0.90 0.53 3.86 6.12 0.00 -0.01 -5.03 105.19 111.57 1kby n GLY 47 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1kby n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kby s THR 48 N -2.13 4.98 0.07 2.61 2.01 -1.25 -4.80 115.64 117.13 1kby s THR 48 Ca 0.00 0.57 -0.32 0.00 0.31 0.00 0.00 61.69 62.25 1kby s THR 48 Cb 0.00 -3.67 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 1kby s THR 48 CO 0.00 0.18 1.86 -2.65 -0.69 0.00 0.00 174.62 173.32 1kby n PRO 49 N 0.60 2.68 -1.93 4.92 -0.02 -1.26 0.93 135.00 140.92 1kby n PRO 49 Ca -0.05 0.98 -0.37 0.00 -2.02 0.00 0.00 63.50 62.04 1kby n PRO 49 Cb 0.52 -2.87 0.04 0.00 -0.02 0.00 0.00 33.50 31.17 1kby n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kby s ALA 50 N 3.24 2.62 0.00 3.55 0.00 -0.61 -4.72 121.76 125.84 1kby s ALA 50 Ca 0.85 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1kby s ALA 50 Cb -0.51 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1kby s ALA 50 CO 0.41 -1.25 0.78 0.00 0.00 0.00 0.00 175.76 175.69 1kby n ALA 51 N -1.40 -0.14 -2.76 0.00 0.00 -1.26 -4.56 120.51 110.39 1kby n ALA 51 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1kby n ALA 51 Cb 0.48 0.19 -0.07 0.00 0.00 0.00 0.00 19.45 20.05 1kby n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kby s ASN 52 N -2.48 6.33 0.00 0.00 2.20 -1.26 -4.97 114.94 114.76 1kby s ASN 52 Ca 0.00 0.39 0.22 0.00 -0.94 0.00 0.00 52.86 52.53 1kby s ASN 52 Cb 0.00 -2.11 0.50 0.00 -2.00 0.00 0.00 41.25 37.64 1kby s ASN 52 CO 0.00 0.23 1.44 1.67 -2.94 0.00 0.00 177.10 177.50 1kby n GLN 53 N 3.05 2.33 0.00 3.55 -0.06 -1.26 -4.99 117.38 119.99 1kby n GLN 53 Ca -0.16 -2.01 0.00 0.00 -2.00 0.00 0.00 57.00 52.83 1kby n GLN 53 Cb 0.53 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 1kby n GLN 53 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1kby n GLY 54 N 1.42 -3.29 0.10 1.69 0.00 -1.26 -4.72 105.19 99.13 1kby n GLY 54 Ca 0.19 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 1kby n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kby h PRO 55 N 0.01 0.00 -6.43 1.61 0.13 -2.06 -3.46 132.00 121.80 1kby h PRO 55 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 1kby h PRO 55 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1kby h PRO 55 CO 0.00 0.74 0.14 -0.06 -0.23 0.00 0.00 178.00 178.59 1kby s PHE 56 N -2.82 3.86 0.42 1.56 0.08 -1.26 -5.08 117.98 114.73 1kby s PHE 56 Ca 0.02 1.54 -0.09 0.00 0.12 0.00 0.00 56.93 58.52 1kby s PHE 56 Cb 0.09 -2.73 -0.06 0.00 -0.57 0.00 0.00 43.02 39.76 1kby s PHE 56 CO 0.79 0.49 0.76 -1.25 -0.10 0.00 0.00 175.22 175.90 1kby s PRO 57 N -0.94 3.70 0.43 0.24 0.04 -1.26 -5.01 135.00 132.20 1kby s PRO 57 Ca 0.35 0.36 -0.25 0.00 0.04 0.00 0.00 61.00 61.50 1kby s PRO 57 Cb -0.22 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.83 1kby s PRO 57 CO 0.24 -0.07 1.36 -0.51 0.04 0.00 0.00 177.00 178.06 1kby s LEU 58 N -4.08 4.15 0.74 -3.56 1.43 -1.26 -4.87 118.68 111.23 1kby s LEU 58 Ca 0.50 2.77 -0.11 0.00 -1.03 0.00 0.00 54.13 56.26 1kby s LEU 58 Cb -0.10 -3.94 0.03 0.00 0.03 0.00 0.00 46.19 42.21 1kby s LEU 58 CO 0.35 -1.03 1.08 -2.16 0.23 0.00 0.00 176.35 174.82 1kby s PRO 59 N -2.37 2.61 0.09 1.29 0.04 -1.26 -4.98 135.00 130.41 1kby s PRO 59 Ca 0.59 0.81 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 1kby s PRO 59 Cb -0.40 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 1kby s PRO 59 CO 0.52 -1.29 1.34 0.15 0.04 0.00 0.00 177.00 177.75 1kby s LYS 60 N -5.10 4.35 0.47 4.56 1.02 -1.26 -4.64 119.74 119.14 1kby s LYS 60 Ca 0.59 1.98 -0.21 0.00 0.02 0.00 0.00 55.97 58.35 1kby s LYS 60 Cb -0.14 -3.31 -0.12 0.00 -0.52 0.00 0.00 37.83 33.75 1kby s LYS 60 CO 0.55 -0.40 0.49 -2.30 -0.92 0.00 0.00 175.35 172.76 1kby n PRO 61 N 4.08 0.52 -4.21 -1.68 -0.02 -1.26 -4.79 135.00 127.65 1kby n PRO 61 Ca 0.11 0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.59 1kby n PRO 61 Cb 0.44 -1.52 -0.12 0.00 -0.02 0.00 0.00 33.50 32.27 1kby n PRO 61 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1kby s LYS 62 N -1.67 0.92 -0.09 -0.52 -2.85 0.16 -4.93 119.74 110.76 1kby s LYS 62 Ca 0.64 -1.07 0.02 0.00 -1.00 0.00 0.00 55.97 54.57 1kby s LYS 62 Cb -0.55 -0.92 0.01 0.00 -2.06 0.00 0.00 37.83 34.31 1kby s LYS 62 CO 0.58 0.20 -0.16 0.99 0.10 0.00 0.00 175.35 177.05 1kby s THR 63 N -1.54 1.51 -0.03 3.79 2.01 -1.26 -0.55 115.64 119.57 1kby s THR 63 Ca 0.02 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 1kby s THR 63 Cb -0.08 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1kby s THR 63 CO 0.03 0.44 0.31 -0.36 -0.69 0.00 0.00 174.62 174.34 1kby s PHE 64 N 0.71 3.66 -0.46 4.92 0.08 0.36 -4.91 117.98 122.34 1kby s PHE 64 Ca -0.13 0.78 -0.13 0.00 0.12 0.00 0.00 56.93 57.58 1kby s PHE 64 Cb -0.16 -2.13 0.08 0.00 -0.57 0.00 0.00 43.02 40.24 1kby s PHE 64 CO 0.03 0.66 0.35 0.42 -0.10 0.00 0.00 175.22 176.58 1kby s ILE 65 N -1.12 4.78 0.23 0.64 1.01 -1.26 -1.01 121.20 124.48 1kby s ILE 65 Ca 0.22 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.28 1kby s ILE 65 Cb -0.15 -3.92 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 1kby s ILE 65 CO 0.11 -0.60 1.46 -0.76 0.00 0.00 0.00 174.94 175.15 1kby s LEU 66 N 1.54 4.38 0.35 2.97 1.43 -0.35 -4.95 118.68 124.05 1kby s LEU 66 Ca 0.04 2.65 0.16 0.00 -1.03 0.00 0.00 54.13 55.95 1kby s LEU 66 Cb -0.25 -3.62 1.17 0.00 0.03 0.00 0.00 46.19 43.52 1kby s LEU 66 CO 0.04 -0.72 1.61 1.55 0.23 0.00 0.00 176.35 179.06 1kby h PRO 67 N 5.34 0.12 -1.84 1.29 0.13 -1.96 -3.33 132.00 131.75 1kby h PRO 67 Ca -0.45 -0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 1kby h PRO 67 Cb 1.22 -0.03 -0.42 0.00 0.13 0.00 0.00 31.00 31.90 1kby h PRO 67 CO 0.80 0.08 -0.72 0.72 -0.23 0.00 0.00 178.00 178.65 1kby n HIS 68 N -5.21 3.56 -0.87 1.56 8.25 -1.26 -4.82 115.22 116.42 1kby n HIS 68 Ca 0.33 -3.50 0.00 0.00 -0.26 0.00 0.00 57.72 54.30 1kby n HIS 68 Cb 1.10 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1kby n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kby n GLY 69 N -0.35 0.32 0.00 -1.41 0.00 -1.25 -4.81 105.19 97.68 1kby n GLY 69 Ca 0.34 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.43 1kby n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kby n ARG 70 N -1.31 0.38 0.00 1.61 1.74 -1.26 -4.96 116.66 112.86 1kby n ARG 70 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1kby n ARG 70 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1kby n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kby n GLY 71 N -0.16 0.09 3.24 -0.13 0.00 -1.26 -4.90 105.19 102.07 1kby n GLY 71 Ca 0.09 -1.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1kby n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kby s THR 72 N 0.00 1.24 -0.02 2.61 2.01 -1.26 -1.21 115.64 119.01 1kby s THR 72 Ca 0.00 -1.82 0.00 0.00 0.31 0.00 0.00 61.69 60.18 1kby s THR 72 Cb 0.00 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.93 1kby s THR 72 CO 0.00 -0.54 0.02 -0.22 -0.69 0.00 0.00 174.62 173.19 1kby s LEU 73 N -2.68 1.10 -0.09 4.42 2.96 -0.18 -4.91 118.68 119.30 1kby s LEU 73 Ca 0.11 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 1kby s LEU 73 Cb -0.02 -0.14 0.02 0.00 0.50 0.00 0.00 46.19 46.54 1kby s LEU 73 CO 0.02 -0.12 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.93 1kby s THR 74 N 1.07 1.14 0.02 3.68 2.01 -1.26 0.14 115.64 122.44 1kby s THR 74 Ca -0.09 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1kby s THR 74 Cb -0.13 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1kby s THR 74 CO -0.02 0.37 -0.07 0.68 -0.69 0.00 0.00 174.62 174.89 1kby s VAL 75 N 1.08 0.49 0.64 3.82 -7.23 0.29 -3.75 120.40 115.73 1kby s VAL 75 Ca -0.07 -0.65 -0.14 0.00 -1.81 0.00 0.00 61.98 59.31 1kby s VAL 75 Cb -0.14 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.29 1kby s VAL 75 CO -0.01 -0.13 1.07 -2.16 -0.31 0.00 0.00 175.10 173.56 1kby s PRO 76 N -0.85 3.07 0.25 4.82 0.04 -1.26 0.38 135.00 141.45 1kby s PRO 76 Ca -0.04 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 1kby s PRO 76 Cb -0.06 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1kby s PRO 76 CO 0.00 -1.01 0.50 0.20 0.04 0.00 0.00 177.00 176.73 1kby s GLY 77 N -3.01 0.50 -0.40 0.56 0.00 -1.25 -4.77 107.32 98.95 1kby s GLY 77 Ca 0.63 -0.84 -0.42 0.00 0.00 0.00 0.00 44.72 44.09 1kby s GLY 77 CO 0.43 -0.59 1.91 -1.55 0.00 0.00 0.00 173.10 173.30 1kby n PRO 78 N -0.39 0.58 -3.77 2.90 -0.04 -1.26 -4.94 135.00 128.09 1kby n PRO 78 Ca -0.02 0.19 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 1kby n PRO 78 Cb 0.62 -1.89 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 1kby n PRO 78 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1kby s GLU 79 N 4.62 3.57 -0.30 0.54 0.41 -1.26 -5.09 118.70 121.19 1kby s GLU 79 Ca 1.08 -0.14 -0.17 0.00 -0.41 0.00 0.00 54.97 55.33 1kby s GLU 79 Cb -1.23 -3.01 0.19 0.00 -1.78 0.00 0.00 34.13 28.29 1kby s GLU 79 CO 0.66 0.60 1.16 -1.54 -0.49 0.00 0.00 175.26 175.65 1kby s SER 80 N -2.03 -0.25 -0.22 -0.19 1.04 -1.26 -5.09 113.70 105.70 1kby s SER 80 Ca 0.32 0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.83 1kby s SER 80 Cb -0.13 1.22 -0.04 0.00 0.10 0.00 0.00 66.02 67.17 1kby s SER 80 CO 0.20 -0.05 1.85 -1.61 0.98 0.00 0.00 173.24 174.61 1kby s GLU 81 N 1.77 3.55 -0.61 4.02 0.41 -1.26 -4.82 118.70 121.77 1kby s GLU 81 Ca -0.04 1.79 -0.05 0.00 -0.41 0.00 0.00 54.97 56.27 1kby s GLU 81 Cb -0.03 -4.17 0.04 0.00 -1.78 0.00 0.00 34.13 28.19 1kby s GLU 81 CO -0.15 -1.60 2.79 -0.25 -0.49 0.00 0.00 175.26 175.56 1kby n ASP 82 N 9.60 6.72 -3.48 -0.19 8.00 -1.26 -4.80 116.55 131.14 1kby n ASP 82 Ca 0.23 -3.10 -0.13 0.00 0.71 0.00 0.00 54.79 52.49 1kby n ASP 82 Cb 0.45 -1.29 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 1kby n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kby s ARG 83 N -1.24 1.06 0.36 -1.24 1.70 -1.26 -4.94 118.95 113.39 1kby s ARG 83 Ca 0.59 -0.19 -0.22 0.00 -0.47 0.00 0.00 55.73 55.45 1kby s ARG 83 Cb 0.33 0.49 -0.10 0.00 -0.57 0.00 0.00 34.95 35.10 1kby s ARG 83 CO -0.17 -0.42 0.89 -1.25 -1.08 0.00 0.00 175.30 173.27 1kby s PRO 84 N -2.71 4.31 -0.35 3.89 0.04 -1.26 -5.04 135.00 133.88 1kby s PRO 84 Ca -0.01 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 1kby s PRO 84 Cb -0.01 -2.49 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1kby s PRO 84 CO -0.05 0.14 0.08 0.42 0.04 0.00 0.00 177.00 177.64 1kby s ILE 85 N -1.90 2.90 -1.10 0.56 -1.09 -1.26 -5.02 121.20 114.29 1kby s ILE 85 Ca 0.55 -1.87 -0.19 0.00 -2.23 0.00 0.00 60.65 56.91 1kby s ILE 85 Cb -0.13 -2.89 -0.06 0.00 -1.58 0.00 0.00 42.46 37.79 1kby s ILE 85 CO 0.18 -0.43 1.98 0.00 -1.23 0.00 0.00 174.94 175.44 1kby n ALA 86 N 4.52 3.67 -2.43 9.38 0.00 -1.26 -4.86 120.51 129.52 1kby n ALA 86 Ca -0.05 -3.48 -0.11 0.00 0.00 0.00 0.00 53.44 49.79 1kby n ALA 86 Cb 0.42 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.19 1kby n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kby s LEU 87 N 3.63 2.41 -0.02 0.00 1.43 -1.26 -2.10 118.68 122.76 1kby s LEU 87 Ca 0.56 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1kby s LEU 87 Cb 0.10 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.25 1kby s LEU 87 CO 0.06 -0.38 0.09 0.00 0.23 0.00 0.00 176.35 176.35 1kby s ALA 88 N -2.79 -0.21 0.72 4.21 0.00 -0.56 -4.88 121.76 118.26 1kby s ALA 88 Ca 0.03 0.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 1kby s ALA 88 Cb -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1kby s ALA 88 CO -0.03 -0.08 1.18 0.54 0.00 0.00 0.00 175.76 177.37 1kby n ARG 89 N 2.62 0.66 0.00 0.00 1.74 -1.26 -1.69 116.66 118.73 1kby n ARG 89 Ca -0.15 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1kby n ARG 89 Cb 0.58 -2.42 -0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1kby n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1kby n THR 90 N -2.51 0.00 -4.36 0.55 -2.24 -1.23 -4.78 114.28 99.72 1kby n THR 90 Ca 0.14 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1kby n THR 90 Cb 0.49 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 1kby n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kby s ALA 91 N -0.91 1.94 -2.35 6.98 0.00 -1.26 -5.05 121.76 121.11 1kby s ALA 91 Ca 0.00 -1.86 0.25 0.00 0.00 0.00 0.00 51.96 50.35 1kby s ALA 91 Cb 0.01 0.97 0.50 0.00 0.00 0.00 0.00 23.12 24.60 1kby s ALA 91 CO 0.03 -0.43 1.42 0.28 0.00 0.00 0.00 175.76 177.06 1kby n VAL 92 N -0.54 0.00 -4.23 0.00 0.31 -1.26 -4.93 118.33 107.67 1kby n VAL 92 Ca -0.01 -0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 63.90 1kby n VAL 92 Cb 0.66 0.92 -0.10 0.00 -0.91 0.00 0.00 33.84 34.41 1kby n VAL 92 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1kby s SER 93 N -2.23 1.60 0.63 4.52 1.04 -1.26 -5.14 113.70 112.86 1kby s SER 93 Ca 0.28 -1.02 -0.18 0.00 0.48 0.00 0.00 55.95 55.50 1kby s SER 93 Cb 0.20 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 1kby s SER 93 CO 0.43 -0.38 1.26 -1.61 0.98 0.00 0.00 173.24 173.92 1kby s GLU 94 N -3.78 2.69 0.00 4.02 2.02 -1.26 -4.12 118.70 118.27 1kby s GLU 94 Ca 0.16 1.98 0.00 0.00 0.02 0.00 0.00 54.97 57.13 1kby s GLU 94 Cb 0.03 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.39 1kby s GLU 94 CO -0.01 -1.47 0.00 0.41 0.02 0.00 0.00 175.26 174.21 1kby n GLY 95 N 0.76 0.63 3.76 -1.39 0.00 -1.26 -5.10 105.19 102.58 1kby n GLY 95 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1kby n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kby s PHE 96 N -2.00 2.90 0.73 1.61 0.40 -1.26 -5.10 117.98 115.26 1kby s PHE 96 Ca 0.00 -0.21 -0.16 0.00 -0.60 0.00 0.00 56.93 55.97 1kby s PHE 96 Cb 0.00 -1.42 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1kby s PHE 96 CO 0.00 0.48 1.24 -2.30 0.70 0.00 0.00 175.22 175.35 1kby n PRO 97 N -1.11 0.66 -4.09 0.24 -0.02 -1.26 -4.87 135.00 124.55 1kby n PRO 97 Ca -0.06 0.29 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 1kby n PRO 97 Cb 0.59 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 1kby n PRO 97 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1kby s HIS 98 N -1.75 2.84 0.36 6.00 3.76 -1.26 -3.53 115.29 121.71 1kby s HIS 98 Ca 0.78 -1.34 -0.23 0.00 -0.15 0.00 0.00 55.06 54.12 1kby s HIS 98 Cb -0.34 -1.98 -0.10 0.00 1.11 0.00 0.00 32.58 31.27 1kby s HIS 98 CO 0.45 -0.69 0.91 0.00 -0.85 0.00 0.00 174.74 174.57 1kby s ALA 99 N 1.31 3.17 0.22 -1.40 0.00 -0.68 -4.75 121.76 119.62 1kby s ALA 99 Ca 0.04 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1kby s ALA 99 Cb -0.14 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1kby s ALA 99 CO -0.08 0.18 1.27 -2.14 0.00 0.00 0.00 175.76 174.99 1kby s PRO 100 N -2.56 4.42 0.19 0.00 0.02 -1.26 -1.49 135.00 134.32 1kby s PRO 100 Ca 0.54 2.02 0.20 0.00 0.02 0.00 0.00 61.00 63.79 1kby s PRO 100 Cb -0.14 -3.19 -0.00 0.00 0.02 0.00 0.00 34.50 31.19 1kby s PRO 100 CO 0.19 -0.18 1.07 1.79 -0.33 0.00 0.00 177.00 179.54 1kby h THR 101 N 3.61 0.21 0.00 0.99 1.35 -1.76 -3.47 112.91 113.84 1kby h THR 101 Ca -0.45 -1.39 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1kby h THR 101 Cb 1.22 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 1kby h THR 101 CO 0.74 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1kby n GLY 102 N 1.24 2.67 3.37 5.82 0.00 -1.26 -5.07 105.19 111.95 1kby n GLY 102 Ca -0.02 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1kby n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kby s ASP 103 N 1.00 6.06 0.35 1.61 -1.08 -1.26 -4.96 116.67 118.39 1kby s ASP 103 Ca 0.00 -1.36 0.15 0.00 -0.52 0.00 0.00 52.55 50.81 1kby s ASP 103 Cb 0.00 -2.15 1.04 0.00 -1.46 0.00 0.00 42.92 40.35 1kby s ASP 103 CO 0.00 -0.63 1.71 1.55 0.52 0.00 0.00 175.17 178.32 1kby h PRO 104 N 8.70 0.41 0.23 4.34 0.13 -1.93 0.81 132.00 144.68 1kby h PRO 104 Ca -0.28 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1kby h PRO 104 Cb 1.11 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1kby h PRO 104 CO 0.86 0.27 -0.11 0.52 -0.23 0.00 0.00 178.00 179.31 1kby h MET 105 N 0.42 -0.30 -0.15 0.86 2.86 -1.93 -1.32 114.93 115.37 1kby h MET 105 Ca 0.68 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 58.23 1kby h MET 105 Cb 1.54 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.26 1kby h MET 105 CO -0.48 0.02 -0.38 0.87 1.06 0.00 0.00 176.91 178.00 1kby h LYS 106 N -0.63 0.32 0.00 1.72 1.57 -1.62 -3.09 116.57 114.84 1kby h LYS 106 Ca -0.03 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1kby h LYS 106 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1kby h LYS 106 CO 0.05 0.66 -0.15 -0.25 -0.57 0.00 0.00 179.45 179.19 1kby n ASP 107 N -4.05 0.63 -2.51 0.86 8.00 0.27 -4.98 116.55 114.77 1kby n ASP 107 Ca -0.01 0.43 -0.10 0.00 0.71 0.00 0.00 54.79 55.82 1kby n ASP 107 Cb 0.47 -0.50 0.05 0.00 -0.02 0.00 0.00 41.12 41.12 1kby n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kby n GLY 108 N 1.36 -0.13 3.38 0.44 0.00 -0.53 -4.79 105.19 104.92 1kby n GLY 108 Ca 0.05 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1kby n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1kby s VAL 109 N -3.23 1.41 0.00 1.61 -7.23 -1.00 -4.05 120.40 107.90 1kby s VAL 109 Ca 0.07 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1kby s VAL 109 Cb -0.01 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1kby s VAL 109 CO 0.45 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1kby n GLY 110 N -0.49 2.65 0.00 2.32 0.00 -1.26 -1.88 105.19 106.53 1kby n GLY 110 Ca -0.06 -0.38 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1kby n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kby n PRO 111 N 13.59 0.28 -0.47 1.61 -0.04 -1.26 -2.17 135.00 146.54 1kby n PRO 111 Ca 0.00 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1kby n PRO 111 Cb 0.00 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.26 1kby n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kby n ALA 112 N -1.23 2.80 -1.40 0.55 0.00 -0.79 -3.01 120.51 117.43 1kby n ALA 112 Ca 0.09 -1.58 -0.33 0.00 0.00 0.00 0.00 53.44 51.61 1kby n ALA 112 Cb 0.12 -0.83 0.07 0.00 0.00 0.00 0.00 19.45 18.81 1kby n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1kby s SER 113 N -1.10 4.65 0.03 0.00 0.01 -0.92 -3.95 113.70 112.42 1kby s SER 113 Ca 0.43 2.13 -0.06 0.00 1.31 0.00 0.00 55.95 59.76 1kby s SER 113 Cb 0.28 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 1kby s SER 113 CO 0.21 -1.95 0.11 -1.66 0.41 0.00 0.00 173.24 170.36 1kby s TRP 114 N -2.26 0.16 0.08 2.43 1.48 -1.26 -4.39 118.94 115.19 1kby s TRP 114 Ca 0.69 -0.42 0.06 0.00 -1.06 0.00 0.00 56.10 55.37 1kby s TRP 114 Cb -0.23 -0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 31.92 1kby s TRP 114 CO 0.44 -0.36 -0.10 0.54 -4.06 0.00 0.00 176.95 173.41 1kby s VAL 115 N -2.39 3.35 -1.01 -0.66 0.11 -1.26 -5.03 120.40 113.50 1kby s VAL 115 Ca -0.07 -1.18 -0.22 0.00 -2.93 0.00 0.00 61.98 57.58 1kby s VAL 115 Cb -0.02 -2.53 -0.10 0.00 -1.53 0.00 0.00 36.38 32.19 1kby s VAL 115 CO -0.03 0.18 1.93 0.00 -3.33 0.00 0.00 175.10 173.85 1kby n ALA 116 N 0.93 2.85 -1.78 1.54 0.00 -1.26 -4.87 120.51 117.91 1kby n ALA 116 Ca -0.14 -3.27 -0.30 0.00 0.00 0.00 0.00 53.44 49.73 1kby n ALA 116 Cb 0.52 -3.57 0.05 0.00 0.00 0.00 0.00 19.45 16.46 1kby n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1kby s ARG 117 N 5.43 2.77 0.28 0.00 0.52 -1.26 -4.97 118.95 121.73 1kby s ARG 117 Ca 0.61 0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 56.11 1kby s ARG 117 Cb 0.08 -2.00 -0.14 0.00 0.52 0.00 0.00 34.95 33.41 1kby s ARG 117 CO 0.11 -1.12 1.13 0.54 0.02 0.00 0.00 175.30 175.98 1kby n ARG 118 N -3.09 1.58 -1.14 3.54 1.74 -1.26 -4.09 116.66 113.95 1kby n ARG 118 Ca 0.07 0.56 -0.18 0.00 -0.77 0.00 0.00 57.85 57.52 1kby n ARG 118 Cb 0.56 -2.02 -0.06 0.00 -1.02 0.00 0.00 32.46 29.93 1kby n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1kby n ASP 119 N 1.30 6.08 -4.38 0.55 -0.08 -1.26 -1.97 116.55 116.79 1kby n ASP 119 Ca 0.09 -2.93 -0.20 0.00 -1.51 0.00 0.00 54.79 50.25 1kby n ASP 119 Cb 0.32 -1.23 -0.10 0.00 2.34 0.00 0.00 41.12 42.45 1kby n ASP 119 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1kby s LEU 120 N -1.38 2.55 0.43 -2.67 2.01 -1.26 -4.89 118.68 113.48 1kby s LEU 120 Ca 0.49 -1.05 -0.04 0.00 0.01 0.00 0.00 54.13 53.54 1kby s LEU 120 Cb 0.30 -0.73 -0.04 0.00 0.01 0.00 0.00 46.19 45.73 1kby s LEU 120 CO -0.10 -0.17 0.71 -2.16 1.01 0.00 0.00 176.35 175.65 1kby s PRO 121 N -3.64 3.55 0.18 1.29 0.04 -1.26 -0.26 135.00 134.90 1kby s PRO 121 Ca 0.25 0.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 1kby s PRO 121 Cb -0.01 -2.47 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 1kby s PRO 121 CO 0.09 -0.08 1.00 -2.00 0.04 0.00 0.00 177.00 176.05 1kby s GLU 122 N -4.51 4.72 0.04 4.56 2.12 -1.26 -4.87 118.70 119.49 1kby s GLU 122 Ca 0.45 1.56 0.02 0.00 0.36 0.00 0.00 54.97 57.36 1kby s GLU 122 Cb -0.10 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1kby s GLU 122 CO 0.41 0.27 0.05 -0.51 -0.54 0.00 0.00 175.26 174.94 1kby s LEU 123 N -0.58 3.73 0.00 2.70 1.43 -1.26 0.19 118.68 124.89 1kby s LEU 123 Ca 0.46 0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1kby s LEU 123 Cb -0.26 -2.28 0.17 0.00 0.03 0.00 0.00 46.19 43.84 1kby s LEU 123 CO 0.33 0.23 0.92 -0.90 0.23 0.00 0.00 176.35 177.16 1kby n ASP 124 N 0.91 -0.16 0.20 2.29 5.68 0.10 -4.76 116.55 120.80 1kby n ASP 124 Ca -0.12 -1.29 0.18 0.00 -0.50 0.00 0.00 54.79 53.06 1kby n ASP 124 Cb 0.52 -0.72 0.82 0.00 -1.14 0.00 0.00 41.12 40.61 1kby n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1kby h GLY 125 N -1.35 0.00 -1.77 6.12 0.00 -2.00 -1.51 103.07 102.56 1kby h GLY 125 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1kby h GLY 125 CO 0.21 0.00 0.00 1.42 0.00 0.00 0.00 176.54 178.17 1kby n HIS 126 N -3.62 0.05 -0.22 5.60 8.25 -1.26 -4.96 115.22 119.07 1kby n HIS 126 Ca 0.03 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1kby n HIS 126 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1kby n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kby n GLY 127 N 1.34 0.88 3.81 -1.41 0.00 -0.57 -5.09 105.19 104.15 1kby n GLY 127 Ca 0.15 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1kby n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kby s HIS 128 N -2.00 3.19 -0.08 1.61 3.76 -1.26 -4.81 115.29 115.70 1kby s HIS 128 Ca 0.00 0.01 -0.37 0.00 -0.15 0.00 0.00 55.06 54.55 1kby s HIS 128 Cb 0.00 -1.55 -0.15 0.00 1.11 0.00 0.00 32.58 31.99 1kby s HIS 128 CO 0.00 0.52 1.64 0.09 -0.85 0.00 0.00 174.74 176.14 1kby n ASN 129 N -0.20 2.49 -0.20 1.40 4.13 -1.26 0.01 115.26 121.62 1kby n ASN 129 Ca -0.08 1.07 -0.08 0.00 1.68 0.00 0.00 54.58 57.17 1kby n ASN 129 Cb 0.54 -1.24 0.02 0.00 -1.54 0.00 0.00 39.78 37.56 1kby n ASN 129 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1kby h LYS 130 N 6.72 0.84 -5.28 3.52 3.64 -0.55 -3.43 116.57 122.03 1kby h LYS 130 Ca -0.47 -0.15 -0.65 0.00 -1.27 0.00 0.00 60.65 58.10 1kby h LYS 130 Cb 1.31 -0.14 -0.26 0.00 -0.41 0.00 0.00 32.23 32.73 1kby h LYS 130 CO 0.90 0.73 -0.73 0.42 -2.27 0.00 0.00 179.45 178.49 1kby s ILE 131 N -5.55 3.30 0.06 2.00 1.01 -1.26 -1.57 121.20 119.19 1kby s ILE 131 Ca -0.13 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1kby s ILE 131 Cb 0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1kby s ILE 131 CO 0.79 0.51 -0.05 -0.54 0.00 0.00 0.00 174.94 175.64 1kby s LYS 132 N 0.47 0.61 0.61 2.79 1.02 -0.78 -4.63 119.74 119.82 1kby s LYS 132 Ca -0.07 -1.03 -0.18 0.00 0.02 0.00 0.00 55.97 54.70 1kby s LYS 132 Cb -0.15 -0.06 -0.03 0.00 -0.52 0.00 0.00 37.83 37.06 1kby s LYS 132 CO 0.04 -0.03 1.20 -2.14 -0.92 0.00 0.00 175.35 173.50 1kby s PRO 133 N -2.87 2.91 0.52 -1.68 0.02 -1.26 -0.40 135.00 132.25 1kby s PRO 133 Ca 0.00 1.79 0.30 0.00 0.02 0.00 0.00 61.00 63.12 1kby s PRO 133 Cb -0.01 -1.92 1.36 0.00 0.02 0.00 0.00 34.50 33.95 1kby s PRO 133 CO -0.04 -1.25 2.00 1.98 -0.33 0.00 0.00 177.00 179.36 1kby h MET 134 N 0.76 0.00 0.00 5.54 4.05 -0.59 -2.33 114.93 122.35 1kby h MET 134 Ca -0.50 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.90 1kby h MET 134 Cb 1.29 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1kby h MET 134 CO 0.55 0.10 -0.10 1.57 0.23 0.00 0.00 176.91 179.26 1kby h LYS 135 N 0.00 0.00 -0.54 0.39 2.10 -1.89 -2.69 116.57 113.94 1kby h LYS 135 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1kby h LYS 135 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1kby h LYS 135 CO 0.01 0.10 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 1kby n ALA 136 N -2.20 2.37 -3.83 0.07 0.00 -0.88 -4.82 120.51 111.22 1kby n ALA 136 Ca -0.01 -1.29 -0.34 0.00 0.00 0.00 0.00 53.44 51.80 1kby n ALA 136 Cb 0.28 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 1kby n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kby s ALA 137 N -1.14 3.29 0.11 0.00 0.00 -1.02 -4.95 121.76 118.06 1kby s ALA 137 Ca 0.37 -2.94 -0.34 0.00 0.00 0.00 0.00 51.96 49.05 1kby s ALA 137 Cb 0.20 -2.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.81 1kby s ALA 137 CO 0.24 -1.93 1.62 0.00 0.00 0.00 0.00 175.76 175.68 1kby n ALA 138 N 3.84 1.12 0.00 0.00 0.00 -1.26 -2.21 120.51 122.01 1kby n ALA 138 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1kby n ALA 138 Cb 0.38 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1kby n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kby n GLY 139 N 3.54 3.34 3.77 0.00 0.00 -1.26 -5.05 105.19 109.53 1kby n GLY 139 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1kby n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kby s PHE 140 N -2.67 3.74 0.09 1.61 0.40 -0.94 -5.05 117.98 115.16 1kby s PHE 140 Ca 0.00 1.81 -0.26 0.00 -0.60 0.00 0.00 56.93 57.88 1kby s PHE 140 Cb 0.00 -2.99 0.08 0.00 0.51 0.00 0.00 43.02 40.62 1kby s PHE 140 CO 0.00 0.15 0.71 -3.38 0.70 0.00 0.00 175.22 173.40 1kby s HIS 141 N -1.44 -0.47 -0.22 0.36 -3.43 -1.26 -5.01 115.29 103.81 1kby s HIS 141 Ca 0.47 0.33 -0.29 0.00 -0.80 0.00 0.00 55.06 54.77 1kby s HIS 141 Cb -0.22 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 1kby s HIS 141 CO 0.28 -0.72 1.42 0.08 -2.00 0.00 0.00 174.74 173.80 1kby s VAL 142 N -3.36 3.98 -1.39 -5.38 1.01 -1.26 -4.87 120.40 109.13 1kby s VAL 142 Ca 0.02 1.14 0.22 0.00 0.00 0.00 0.00 61.98 63.35 1kby s VAL 142 Cb -0.01 -3.92 -0.15 0.00 0.00 0.00 0.00 36.38 32.31 1kby s VAL 142 CO -0.10 -0.30 0.97 -1.54 0.00 0.00 0.00 175.10 174.12 1kby n SER 143 N 7.61 1.39 -3.58 3.32 3.41 -1.26 -5.00 113.62 119.51 1kby n SER 143 Ca 0.16 -1.20 -0.10 0.00 -0.26 0.00 0.00 58.87 57.47 1kby n SER 143 Cb 0.45 0.80 -0.05 0.00 -0.26 0.00 0.00 64.21 65.15 1kby n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kby s ALA 144 N -2.80 -1.94 0.00 7.33 0.00 -1.26 -5.16 121.76 117.93 1kby s ALA 144 Ca 0.12 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1kby s ALA 144 Cb 0.17 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1kby s ALA 144 CO 0.76 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.62 1kby n GLY 145 N 0.78 -1.55 3.68 0.00 0.00 -1.26 -4.88 105.19 101.96 1kby n GLY 145 Ca -0.10 -1.55 -0.45 0.00 0.00 0.00 0.00 46.02 43.91 1kby n GLY 145 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1kby n LYS 146 N -1.28 2.33 -2.78 1.61 3.00 -1.26 -4.93 118.16 114.86 1kby n LYS 146 Ca 0.00 0.84 -0.42 0.00 -0.00 0.00 0.00 58.31 58.73 1kby n LYS 146 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 35.03 32.35 1kby n LYS 146 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1kby s ASN 147 N 1.27 6.85 0.48 3.14 3.84 -1.26 -4.94 114.94 124.33 1kby s ASN 147 Ca 0.79 0.96 0.28 0.00 0.21 0.00 0.00 52.86 55.10 1kby s ASN 147 Cb -0.63 -2.48 1.04 0.00 -0.55 0.00 0.00 41.25 38.63 1kby s ASN 147 CO 0.37 -0.71 1.87 1.55 -2.79 0.00 0.00 177.10 177.39 1kby h PRO 148 N 7.95 0.00 -6.37 0.43 0.13 -1.97 -3.46 132.00 128.70 1kby h PRO 148 Ca -0.22 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.33 1kby h PRO 148 Cb 1.08 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.24 1kby h PRO 148 CO 0.95 0.13 1.08 -0.89 -0.23 0.00 0.00 178.00 179.04 1kby n ILE 149 N -3.26 0.48 -0.03 -3.56 5.41 -1.26 -0.69 119.36 116.44 1kby n ILE 149 Ca 0.01 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1kby n ILE 149 Cb 0.39 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.37 1kby n ILE 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kby n GLY 150 N 4.24 0.37 3.80 7.39 0.00 -0.01 -5.00 105.19 115.97 1kby n GLY 150 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1kby n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kby s LEU 151 N 0.00 4.47 0.41 0.99 1.02 0.13 -4.77 118.68 120.93 1kby s LEU 151 Ca 0.00 1.48 -0.22 0.00 0.02 0.00 0.00 54.13 55.41 1kby s LEU 151 Cb 0.00 -3.37 -0.10 0.00 0.02 0.00 0.00 46.19 42.74 1kby s LEU 151 CO 0.00 0.14 0.98 -2.16 0.02 0.00 0.00 176.35 175.33 1kby s PRO 152 N -1.53 4.20 -0.15 1.29 0.04 -1.26 0.57 135.00 138.16 1kby s PRO 152 Ca 0.38 1.28 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 1kby s PRO 152 Cb -0.20 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 1kby s PRO 152 CO 0.23 -0.07 -0.00 0.08 0.04 0.00 0.00 177.00 177.27 1kby s VAL 153 N -1.94 4.21 0.05 -0.36 1.01 1.00 -1.68 120.40 122.69 1kby s VAL 153 Ca 0.60 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.37 1kby s VAL 153 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1kby s VAL 153 CO 0.19 0.50 -0.03 -0.60 0.00 0.00 0.00 175.10 175.16 1kby s ARG 154 N 0.20 2.55 0.55 2.72 3.52 0.03 -0.39 118.95 128.13 1kby s ARG 154 Ca 0.00 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.88 1kby s ARG 154 Cb -0.13 -2.53 0.06 0.00 -1.56 0.00 0.00 34.95 30.79 1kby s ARG 154 CO 0.02 0.57 0.76 0.20 -0.81 0.00 0.00 175.30 176.05 1kby s GLY 155 N -1.87 1.82 0.28 8.12 0.00 0.17 -1.25 107.32 114.60 1kby s GLY 155 Ca 0.21 -1.76 0.21 0.00 0.00 0.00 0.00 44.72 43.38 1kby s GLY 155 CO 0.13 -1.40 1.64 0.00 0.00 0.00 0.00 173.10 173.47 1kby n ASP 157 N -2.20 3.90 -1.77 0.00 5.75 -1.26 -4.90 116.55 116.06 1kby n ASP 157 Ca -0.00 -2.50 -0.17 0.00 -0.01 0.00 0.00 54.79 52.11 1kby n ASP 157 Cb 0.10 -0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 39.56 1kby n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1kby n LEU 158 N 0.53 -1.33 -4.69 -2.12 4.77 0.47 -4.97 117.00 109.66 1kby n LEU 158 Ca 0.18 0.32 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 1kby n LEU 158 Cb 0.80 -2.46 -0.08 0.00 -2.33 0.00 0.00 43.42 39.34 1kby n LEU 158 CO 0.20 -0.67 -0.32 -0.70 -1.33 0.00 0.00 177.39 174.57 1kby s GLU 159 N -3.92 2.72 0.04 3.23 2.56 -1.26 -4.84 118.70 117.24 1kby s GLU 159 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 54.97 53.99 1kby s GLU 159 Cb 0.00 -2.63 -0.04 0.00 2.00 0.00 0.00 34.13 33.45 1kby s GLU 159 CO 0.00 0.60 0.95 0.42 -0.56 0.00 0.00 175.26 176.67 1kby s ILE 160 N -1.17 4.73 -0.51 -3.70 1.09 -1.26 -0.65 121.20 119.72 1kby s ILE 160 Ca 0.22 2.02 0.07 0.00 -1.10 0.00 0.00 60.65 61.86 1kby s ILE 160 Cb -0.12 -4.30 -0.03 0.00 -1.06 0.00 0.00 42.46 36.96 1kby s ILE 160 CO 0.13 0.23 0.43 0.00 -0.10 0.00 0.00 174.94 175.64 1kby n ALA 161 N 3.42 2.71 0.00 9.38 0.00 0.48 -4.95 120.51 131.55 1kby n ALA 161 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1kby n ALA 161 Cb 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1kby n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kby n GLY 162 N 0.89 -0.57 3.36 0.00 0.00 -1.22 -4.17 105.19 103.48 1kby n GLY 162 Ca 0.02 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 1kby n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kby s LYS 163 N -1.21 0.75 0.27 1.61 -2.85 -0.94 -0.00 119.74 117.36 1kby s LYS 163 Ca 0.00 0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.85 1kby s LYS 163 Cb 0.00 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.02 1kby s LYS 163 CO 0.00 -0.19 1.18 0.08 0.10 0.00 0.00 175.35 176.52 1kby s VAL 164 N -0.85 3.30 0.00 1.79 1.01 0.19 -1.13 120.40 124.71 1kby s VAL 164 Ca -0.09 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1kby s VAL 164 Cb -0.03 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1kby s VAL 164 CO 0.05 0.27 0.16 1.33 0.00 0.00 0.00 175.10 176.91 1kby n VAL 165 N 1.48 0.00 -3.60 2.92 0.24 -0.21 -0.83 118.33 118.33 1kby n VAL 165 Ca 0.01 -0.38 0.01 0.00 -2.04 0.00 0.00 64.34 61.94 1kby n VAL 165 Cb 0.44 1.11 -0.01 0.00 -1.47 0.00 0.00 33.84 33.91 1kby n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1kby s ASP 166 N -0.42 -0.02 -0.08 -1.34 2.15 -1.22 -4.91 116.67 110.82 1kby s ASP 166 Ca 0.00 -0.02 0.04 0.00 0.43 0.00 0.00 52.55 53.00 1kby s ASP 166 Cb 0.00 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 1kby s ASP 166 CO 0.00 -0.06 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.10 1kby s ILE 167 N -2.10 1.79 -0.14 4.11 1.01 -1.26 -0.67 121.20 123.94 1kby s ILE 167 Ca 0.13 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1kby s ILE 167 Cb 0.04 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1kby s ILE 167 CO -0.05 0.50 0.38 0.26 0.00 0.00 0.00 174.94 176.03 1kby s TRP 168 N 0.36 3.48 0.25 3.97 0.52 -0.42 0.21 118.94 127.31 1kby s TRP 168 Ca -0.16 0.73 0.10 0.00 0.02 0.00 0.00 56.10 56.80 1kby s TRP 168 Cb -0.17 -2.44 -0.05 0.00 -1.15 0.00 0.00 33.47 29.66 1kby s TRP 168 CO 0.07 0.20 -0.10 0.14 0.02 0.00 0.00 176.95 177.28 1kby s VAL 169 N 0.56 3.01 -0.40 4.03 -7.23 0.47 -1.76 120.40 119.07 1kby s VAL 169 Ca 0.21 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 58.16 1kby s VAL 169 Cb -0.14 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1kby s VAL 169 CO 0.07 -0.32 0.48 -0.62 -0.31 0.00 0.00 175.10 174.40 1kby s ASP 170 N -3.40 6.24 0.01 4.85 -1.08 0.11 -1.87 116.67 121.53 1kby s ASP 170 Ca 0.29 -0.43 -0.23 0.00 -0.52 0.00 0.00 52.55 51.66 1kby s ASP 170 Cb -0.06 -2.25 -0.17 0.00 -1.46 0.00 0.00 42.92 38.97 1kby s ASP 170 CO 0.17 -0.57 1.28 0.40 0.52 0.00 0.00 175.17 176.97 1kby h ILE 171 N 5.71 1.38 0.00 4.11 2.04 -1.59 0.34 117.51 129.50 1kby h ILE 171 Ca -0.27 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 1kby h ILE 171 Cb 1.11 2.07 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1kby h ILE 171 CO 0.80 0.37 -0.14 1.55 0.00 0.00 0.00 178.15 180.73 1kby h PRO 172 N -0.22 0.00 -0.27 2.37 0.13 -1.94 -2.69 132.00 129.38 1kby h PRO 172 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1kby h PRO 172 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1kby h PRO 172 CO 0.03 0.14 0.00 0.39 -0.23 0.00 0.00 178.00 178.33 1kby n GLU 173 N -3.43 2.25 -3.45 0.86 1.02 -1.22 -5.02 120.64 111.65 1kby n GLU 173 Ca -0.01 -1.83 -0.20 0.00 -0.02 0.00 0.00 57.16 55.10 1kby n GLU 173 Cb 0.32 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1kby n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1kby n GLN 174 N 0.58 -1.21 -3.80 3.49 6.02 0.11 -4.95 117.38 117.62 1kby n GLN 174 Ca 0.11 0.62 -0.13 0.00 -0.01 0.00 0.00 57.00 57.59 1kby n GLN 174 Cb 0.39 -1.67 -0.10 0.00 1.02 0.00 0.00 30.24 29.88 1kby n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1kby s MET 175 N -4.06 0.53 0.01 -1.09 1.75 -0.73 -4.94 119.30 110.79 1kby s MET 175 Ca 0.03 -0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.04 1kby s MET 175 Cb -0.00 0.24 -0.04 0.00 2.84 0.00 0.00 34.83 37.87 1kby s MET 175 CO 0.69 -0.13 1.03 0.00 -0.65 0.00 0.00 175.02 175.96 1kby s ALA 176 N -1.01 3.21 -0.03 4.11 0.00 -1.26 0.09 121.76 126.87 1kby s ALA 176 Ca -0.11 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1kby s ALA 176 Cb -0.05 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1kby s ALA 176 CO 0.03 -0.27 -0.01 0.54 0.00 0.00 0.00 175.76 176.04 1kby n ARG 177 N 3.90 1.46 -4.11 0.00 1.74 -0.72 -4.83 116.66 114.09 1kby n ARG 177 Ca 0.07 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.07 1kby n ARG 177 Cb 0.50 -1.07 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 1kby n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1kby s PHE 178 N -2.07 0.71 -0.11 -1.55 0.40 -1.18 -0.43 117.98 113.76 1kby s PHE 178 Ca -0.03 -1.13 0.03 0.00 -0.60 0.00 0.00 56.93 55.20 1kby s PHE 178 Cb 0.01 -0.40 -0.00 0.00 0.51 0.00 0.00 43.02 43.14 1kby s PHE 178 CO 0.09 -0.50 -0.22 -0.51 0.70 0.00 0.00 175.22 174.78 1kby s LEU 179 N -3.00 2.19 -0.18 -0.37 1.43 0.10 -1.30 118.68 117.55 1kby s LEU 179 Ca 0.18 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 1kby s LEU 179 Cb 0.07 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1kby s LEU 179 CO -0.02 0.16 0.63 -0.70 0.23 0.00 0.00 176.35 176.65 1kby s GLU 180 N 0.37 4.24 -0.08 1.70 2.12 0.16 -1.23 118.70 125.99 1kby s GLU 180 Ca -0.17 0.64 0.04 0.00 0.36 0.00 0.00 54.97 55.84 1kby s GLU 180 Cb -0.18 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1kby s GLU 180 CO 0.08 -0.19 -0.19 0.08 -0.54 0.00 0.00 175.26 174.50 1kby s VAL 181 N 1.73 2.58 -0.16 3.70 1.01 0.80 -1.05 120.40 129.02 1kby s VAL 181 Ca 0.30 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1kby s VAL 181 Cb -0.16 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1kby s VAL 181 CO 0.11 0.56 0.32 -0.70 0.00 0.00 0.00 175.10 175.39 1kby s GLU 182 N -0.13 4.26 0.45 2.72 2.12 -0.28 -0.61 118.70 127.23 1kby s GLU 182 Ca -0.03 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.45 1kby s GLU 182 Cb -0.14 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1kby s GLU 182 CO 0.04 0.21 0.66 -0.51 -0.54 0.00 0.00 175.26 175.12 1kby s LEU 183 N 0.55 3.63 0.51 2.70 1.43 0.16 -2.21 118.68 125.45 1kby s LEU 183 Ca 0.18 0.20 0.23 0.00 -1.03 0.00 0.00 54.13 53.71 1kby s LEU 183 Cb -0.13 -3.08 1.33 0.00 0.03 0.00 0.00 46.19 44.33 1kby s LEU 183 CO 0.05 -0.73 1.98 0.11 0.23 0.00 0.00 176.35 177.98 1kby h LYS 184 N 0.41 0.09 0.00 1.70 1.57 -1.87 0.21 116.57 118.67 1kby h LYS 184 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1kby h LYS 184 Cb 1.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1kby h LYS 184 CO 0.56 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 1kby n ASP 185 N -4.39 0.00 0.00 0.86 5.75 -1.26 -4.86 116.55 112.65 1kby n ASP 185 Ca 0.11 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 1kby n ASP 185 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1kby n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kby n GLY 186 N 0.49 2.05 3.94 6.12 0.00 0.74 -5.05 105.19 113.48 1kby n GLY 186 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1kby n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kby s SER 187 N -2.42 5.07 0.32 1.61 1.04 -1.26 -4.74 113.70 113.33 1kby s SER 187 Ca 0.00 0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.90 1kby s SER 187 Cb 0.00 -1.15 -0.06 0.00 0.10 0.00 0.00 66.02 64.91 1kby s SER 187 CO 0.00 -1.38 -0.11 0.42 0.98 0.00 0.00 173.24 173.15 1kby s THR 188 N -3.07 2.19 0.06 2.02 -4.23 -1.26 0.36 115.64 111.71 1kby s THR 188 Ca 0.58 -2.23 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 1kby s THR 188 Cb -0.11 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1kby s THR 188 CO 0.43 -0.25 0.07 -0.13 -0.54 0.00 0.00 174.62 174.20 1kby s ARG 189 N -3.61 0.67 -0.12 3.99 1.81 0.22 -4.91 118.95 117.00 1kby s ARG 189 Ca 0.32 -0.99 -0.06 0.00 -1.72 0.00 0.00 55.73 53.27 1kby s ARG 189 Cb 0.01 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.73 1kby s ARG 189 CO 0.16 -0.17 0.10 -0.51 -0.68 0.00 0.00 175.30 174.20 1kby s LEU 190 N -2.65 4.14 -0.11 2.53 1.43 -1.26 -0.14 118.68 122.61 1kby s LEU 190 Ca 0.03 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1kby s LEU 190 Cb 0.04 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1kby s LEU 190 CO -0.09 0.38 -0.22 -0.76 0.23 0.00 0.00 176.35 175.89 1kby s LEU 191 N -0.85 2.07 0.29 1.79 2.01 -0.36 -4.94 118.68 118.69 1kby s LEU 191 Ca 0.14 -0.56 -0.29 0.00 0.01 0.00 0.00 54.13 53.42 1kby s LEU 191 Cb -0.12 -1.39 -0.10 0.00 0.01 0.00 0.00 46.19 44.59 1kby s LEU 191 CO 0.03 0.12 1.38 -2.16 1.01 0.00 0.00 176.35 176.73 1kby s PRO 192 N 0.56 4.30 0.31 1.29 0.04 -1.26 -0.72 135.00 139.52 1kby s PRO 192 Ca -0.14 2.27 0.02 0.00 0.04 0.00 0.00 61.00 63.20 1kby s PRO 192 Cb -0.17 -3.08 0.58 0.00 0.04 0.00 0.00 34.50 31.87 1kby s PRO 192 CO 0.04 -0.32 1.89 1.98 0.04 0.00 0.00 177.00 180.64 1kby h MET 193 N 4.12 0.94 0.00 4.56 4.05 -1.07 -1.82 114.93 125.72 1kby h MET 193 Ca -0.48 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1kby h MET 193 Cb 1.22 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1kby h MET 193 CO 0.71 0.62 0.00 1.04 0.23 0.00 0.00 176.91 179.51 1kby n GLN 194 N -4.52 0.17 -0.11 0.39 3.00 -1.26 -2.66 117.38 112.39 1kby n GLN 194 Ca 0.15 0.17 0.04 0.00 -0.01 0.00 0.00 57.00 57.35 1kby n GLN 194 Cb 0.26 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 29.11 1kby n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1kby n MET 195 N -1.32 2.33 -4.41 -1.09 2.81 -0.68 -5.02 117.12 109.73 1kby n MET 195 Ca 0.06 -1.73 -0.25 0.00 -1.81 0.00 0.00 57.70 53.97 1kby n MET 195 Cb 0.12 -1.20 -0.10 0.00 -0.71 0.00 0.00 33.22 31.33 1kby n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1kby s VAL 196 N -0.94 2.61 -0.26 2.03 -7.23 -1.09 -4.48 120.40 111.04 1kby s VAL 196 Ca 0.16 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1kby s VAL 196 Cb 0.09 -2.32 0.05 0.00 0.56 0.00 0.00 36.38 34.76 1kby s VAL 196 CO 0.12 -0.25 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.81 1kby s LYS 197 N -3.12 2.45 -0.42 4.82 2.47 0.18 -4.98 119.74 121.13 1kby s LYS 197 Ca 0.26 -1.22 -0.25 0.00 -1.56 0.00 0.00 55.97 53.20 1kby s LYS 197 Cb -0.07 -2.92 0.02 0.00 -1.46 0.00 0.00 37.83 33.41 1kby s LYS 197 CO 0.14 -0.51 0.90 0.08 0.16 0.00 0.00 175.35 176.12 1kby s VAL 198 N 1.18 4.54 0.28 4.02 1.01 -1.26 -0.34 120.40 129.83 1kby s VAL 198 Ca -0.05 0.87 0.07 0.00 0.00 0.00 0.00 61.98 62.88 1kby s VAL 198 Cb -0.19 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1kby s VAL 198 CO -0.05 -0.70 0.20 -1.10 0.00 0.00 0.00 175.10 173.45 1kby s GLN 199 N 3.59 2.78 0.33 2.72 -0.21 0.99 -5.00 119.66 124.85 1kby s GLN 199 Ca 0.36 -1.19 0.10 0.00 0.02 0.00 0.00 55.36 54.66 1kby s GLN 199 Cb -0.11 -2.48 0.99 0.00 1.00 0.00 0.00 33.01 32.41 1kby s GLN 199 CO 0.23 0.29 1.61 0.66 -2.12 0.00 0.00 175.29 175.96 1kby h SER 200 N 1.46 0.05 0.00 5.90 4.64 -2.01 -2.63 113.55 120.96 1kby h SER 200 Ca -0.47 0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1kby h SER 200 Cb 1.24 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 1kby h SER 200 CO 0.60 -0.30 -0.20 -0.46 -0.87 0.00 0.00 176.83 175.60 1kby n ASN 201 N -5.29 1.68 0.00 4.97 2.04 -1.26 -5.08 115.26 112.33 1kby n ASN 201 Ca 0.29 -2.86 0.00 0.00 -0.44 0.00 0.00 54.58 51.57 1kby n ASN 201 Cb 0.95 -0.38 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1kby n ASN 201 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 1kby n ARG 202 N -1.00 0.00 -3.91 -3.83 0.00 -0.99 -4.72 116.66 102.20 1kby n ARG 202 Ca 0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.62 1kby n ARG 202 Cb 0.68 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 33.01 1kby n ARG 202 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1kby s VAL 203 N -2.00 3.96 -0.12 5.15 1.01 -0.68 -0.01 120.40 127.71 1kby s VAL 203 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1kby s VAL 203 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1kby s VAL 203 CO 0.00 0.39 0.09 -2.28 0.00 0.00 0.00 175.10 173.31 1kby s HIS 204 N 1.34 3.44 -0.24 5.22 2.46 0.53 -0.79 115.29 127.26 1kby s HIS 204 Ca 0.04 0.40 -0.00 0.00 0.47 0.00 0.00 55.06 55.97 1kby s HIS 204 Cb -0.15 -1.91 0.07 0.00 -0.13 0.00 0.00 32.58 30.46 1kby s HIS 204 CO 0.01 0.61 0.00 0.08 -2.47 0.00 0.00 174.74 172.98 1kby s VAL 205 N -0.87 1.21 -0.03 0.89 1.01 -0.38 -0.65 120.40 121.58 1kby s VAL 205 Ca 0.14 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 1kby s VAL 205 Cb -0.12 -1.63 -0.23 0.00 0.00 0.00 0.00 36.38 34.41 1kby s VAL 205 CO 0.03 -0.25 1.07 0.78 0.00 0.00 0.00 175.10 176.73 1kby h ASN 206 N 8.03 0.29 -0.66 3.32 -0.26 -1.85 -2.02 115.58 122.43 1kby h ASN 206 Ca -0.16 -0.75 0.19 0.00 -0.56 0.00 0.00 56.30 55.03 1kby h ASN 206 Cb 1.07 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.22 1kby h ASN 206 CO 0.41 0.99 0.57 0.00 -1.06 0.00 0.00 177.43 178.34 1kby h ALA 207 N 0.30 2.50 -3.42 -0.83 0.00 -1.85 -3.37 119.26 112.59 1kby h ALA 207 Ca -0.03 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.31 1kby h ALA 207 Cb 1.03 0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.66 1kby h ALA 207 CO 0.06 -0.91 -0.81 -0.51 0.00 0.00 0.00 179.25 177.08 1kby s LEU 208 N -7.91 2.34 0.22 0.00 1.43 -1.25 -3.31 118.68 110.20 1kby s LEU 208 Ca -0.05 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1kby s LEU 208 Cb 0.18 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 1kby s LEU 208 CO 0.65 0.02 0.33 -0.94 0.23 0.00 0.00 176.35 176.65 1kby s SER 209 N -2.14 6.30 0.29 2.29 1.04 -1.26 0.60 113.70 120.81 1kby s SER 209 Ca 0.09 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.65 1kby s SER 209 Cb -0.09 -1.86 0.73 0.00 0.10 0.00 0.00 66.02 64.91 1kby s SER 209 CO 0.05 -0.04 1.71 0.77 0.98 0.00 0.00 173.24 176.71 1kby h SER 210 N 1.43 0.43 0.00 7.02 4.64 -1.88 -1.13 113.55 124.06 1kby h SER 210 Ca -0.51 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1kby h SER 210 Cb 1.22 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1kby h SER 210 CO 0.63 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 1kby n ASP 211 N -4.99 0.00 -0.00 4.97 5.75 -1.26 -3.06 116.55 117.96 1kby n ASP 211 Ca 0.22 -1.30 0.04 0.00 -0.01 0.00 0.00 54.79 53.74 1kby n ASP 211 Cb 0.64 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.69 1kby n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1kby n LEU 212 N -0.58 0.29 0.10 -2.12 4.77 -0.43 -4.59 117.00 114.44 1kby n LEU 212 Ca 0.03 -0.41 0.04 0.00 -0.03 0.00 0.00 56.01 55.64 1kby n LEU 212 Cb 0.01 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.57 1kby n LEU 212 CO 0.02 0.07 1.06 -0.26 -1.33 0.00 0.00 177.39 176.95 1kby h PHE 213 N 0.00 0.32 0.00 -1.77 -1.00 -1.64 -1.74 116.94 111.11 1kby h PHE 213 Ca 0.00 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1kby h PHE 213 Cb 0.21 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1kby h PHE 213 CO 0.00 0.26 -0.31 0.00 -1.61 0.00 0.00 178.31 176.65 1kby h ALA 214 N 1.78 1.38 0.00 2.45 0.00 -1.81 -2.66 119.26 120.40 1kby h ALA 214 Ca 0.08 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1kby h ALA 214 Cb 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1kby h ALA 214 CO -0.01 0.39 -0.47 0.78 0.00 0.00 0.00 179.25 179.94 1kby h GLY 215 N 1.08 0.00 -5.61 0.00 0.00 -1.60 -3.45 103.07 93.49 1kby h GLY 215 Ca -0.00 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.61 1kby h GLY 215 CO 0.04 0.00 0.22 1.39 0.00 0.00 0.00 176.54 178.19 1kby n ILE 216 N -3.57 0.21 -1.69 2.60 5.41 -1.00 -4.82 119.36 116.49 1kby n ILE 216 Ca -0.00 -0.05 -0.38 0.00 1.00 0.00 0.00 62.75 63.31 1kby n ILE 216 Cb 0.57 -0.44 0.05 0.00 -0.71 0.00 0.00 39.64 39.11 1kby n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1kby n PRO 217 N 1.92 1.33 -4.06 0.38 -0.02 -1.26 -5.01 135.00 128.28 1kby n PRO 217 Ca 0.19 0.50 -0.28 0.00 -2.02 0.00 0.00 63.50 61.89 1kby n PRO 217 Cb 0.15 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 1kby n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1kby s THR 218 N -1.37 4.55 0.06 3.45 -4.23 -1.26 -4.71 115.64 112.13 1kby s THR 218 Ca 0.74 -0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1kby s THR 218 Cb -0.42 -3.27 -0.05 0.00 1.34 0.00 0.00 72.50 70.10 1kby s THR 218 CO 0.47 -0.02 0.29 0.27 -0.54 0.00 0.00 174.62 175.09 1kby s ILE 219 N -1.62 5.28 0.00 2.99 -4.36 -1.26 -5.06 121.20 117.17 1kby s ILE 219 Ca 0.31 0.01 0.00 0.00 -0.26 0.00 0.00 60.65 60.70 1kby s ILE 219 Cb -0.11 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 40.00 1kby s ILE 219 CO 0.23 0.22 0.50 0.29 0.24 0.00 0.00 174.94 176.41 1kby n LYS 220 N 0.62 0.00 -2.51 0.37 5.02 -1.26 -4.69 118.16 115.71 1kby n LYS 220 Ca -0.07 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.88 1kby n LYS 220 Cb 0.52 -1.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.50 1kby n LYS 220 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kby s SER 221 N -2.07 6.89 0.00 4.39 0.15 -1.26 -4.94 113.70 116.85 1kby s SER 221 Ca 0.00 2.12 0.30 0.00 0.70 0.00 0.00 55.95 59.07 1kby s SER 221 Cb 0.00 -2.60 1.38 0.00 -1.71 0.00 0.00 66.02 63.09 1kby s SER 221 CO 0.00 -0.40 1.94 -0.81 1.20 0.00 0.00 173.24 175.17 1kby n PRO 222 N 0.31 1.18 -0.01 5.44 -0.04 -1.26 -3.65 135.00 136.97 1kby n PRO 222 Ca 0.03 -0.44 0.01 0.00 -0.04 0.00 0.00 63.50 63.06 1kby n PRO 222 Cb 0.48 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1kby n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1kby n THR 223 N -0.53 0.98 -3.51 0.52 -2.24 -1.26 -4.92 114.28 103.33 1kby n THR 223 Ca 0.19 -1.01 -0.15 0.00 -2.27 0.00 0.00 64.05 60.81 1kby n THR 223 Cb 0.25 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 1kby n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1kby s GLU 224 N -1.05 1.11 0.01 -0.78 -1.05 -1.24 -4.57 118.70 111.13 1kby s GLU 224 Ca 0.02 -0.09 0.06 0.00 -0.15 0.00 0.00 54.97 54.81 1kby s GLU 224 Cb 0.02 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1kby s GLU 224 CO 0.00 -0.40 -0.18 0.08 0.95 0.00 0.00 175.26 175.71 1kby s VAL 225 N -2.25 1.45 0.27 1.83 1.01 -1.26 -4.39 120.40 117.05 1kby s VAL 225 Ca -0.06 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1kby s VAL 225 Cb -0.01 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1kby s VAL 225 CO 0.00 0.28 0.34 0.42 0.00 0.00 0.00 175.10 176.14 1kby s THR 226 N -0.60 4.75 0.33 3.92 -4.23 -1.26 -4.20 115.64 114.34 1kby s THR 226 Ca 0.06 -1.11 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 1kby s THR 226 Cb -0.08 -3.63 0.31 0.00 1.34 0.00 0.00 72.50 70.44 1kby s THR 226 CO 0.00 -0.29 1.85 -0.07 -0.54 0.00 0.00 174.62 175.58 1kby h LEU 227 N 1.20 0.77 -0.83 4.79 3.38 -0.65 0.51 115.31 124.48 1kby h LEU 227 Ca -0.50 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1kby h LEU 227 Cb 1.24 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1kby h LEU 227 CO 0.59 0.39 0.14 0.25 0.09 0.00 0.00 178.44 179.91 1kby h LEU 228 N 0.82 0.96 -0.44 1.67 5.85 -1.54 -2.43 115.31 120.19 1kby h LEU 228 Ca 0.47 -0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.81 1kby h LEU 228 Cb 0.62 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1kby h LEU 228 CO -0.23 0.94 -0.75 -0.33 -0.34 0.00 0.00 178.44 177.73 1kby h GLU 229 N 0.97 0.26 -0.41 1.25 5.08 -1.29 -2.82 114.58 117.62 1kby h GLU 229 Ca 0.20 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1kby h GLU 229 Cb 0.36 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1kby h GLU 229 CO 0.00 0.89 0.14 0.93 -1.00 0.00 0.00 179.01 179.97 1kby h GLU 230 N 0.17 0.63 -0.80 2.33 5.08 -0.91 -2.15 114.58 118.94 1kby h GLU 230 Ca -0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1kby h GLU 230 Cb 1.32 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1kby h GLU 230 CO 0.12 0.61 0.45 -0.44 -1.00 0.00 0.00 179.01 178.75 1kby h ASP 231 N 0.51 0.99 -0.11 1.42 5.19 -1.39 -0.91 116.42 122.12 1kby h ASP 231 Ca 0.13 -0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.32 1kby h ASP 231 Cb 0.24 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1kby h ASP 231 CO -0.01 0.79 -0.39 0.11 -3.12 0.00 0.00 179.24 176.62 1kby h LYS 232 N 1.11 0.64 0.03 3.56 1.57 -1.41 -1.01 116.57 121.05 1kby h LYS 232 Ca 0.28 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1kby h LYS 232 Cb 0.01 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1kby h LYS 232 CO -0.05 0.92 -0.01 0.82 -0.57 0.00 0.00 179.45 180.56 1kby h ILE 233 N 0.52 1.33 -0.36 1.86 2.04 -1.15 -2.06 117.51 119.69 1kby h ILE 233 Ca 0.05 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 1kby h ILE 233 Cb 0.91 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1kby h ILE 233 CO 0.08 0.29 0.03 0.00 0.00 0.00 0.00 178.15 178.56 1kby h GLY 235 N 0.43 1.06 0.80 0.00 0.00 -1.26 -1.88 103.07 102.22 1kby h GLY 235 Ca 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1kby h GLY 235 CO 0.01 0.31 -0.28 -1.82 0.00 0.00 0.00 176.54 174.76 1kby h TYR 236 N 0.92 -0.73 0.00 5.60 3.20 -1.14 -1.46 116.97 123.36 1kby h TYR 236 Ca 0.29 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.10 1kby h TYR 236 Cb -0.00 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1kby h TYR 236 CO -0.04 -0.41 -0.29 -0.39 -1.64 0.00 0.00 178.16 175.39 1kby h VAL 237 N -0.64 0.84 -0.04 1.81 -1.51 -1.32 -2.58 116.25 112.81 1kby h VAL 237 Ca -0.03 -1.16 -0.16 0.00 -1.23 0.00 0.00 66.70 64.12 1kby h VAL 237 Cb 0.55 1.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1kby h VAL 237 CO 0.00 0.28 -0.68 0.00 -1.23 0.00 0.00 177.57 175.95 1kby h ALA 238 N 1.71 0.79 0.00 5.19 0.00 -1.19 -2.87 119.26 122.89 1kby h ALA 238 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1kby h ALA 238 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1kby h ALA 238 CO 0.04 0.80 -0.05 0.78 0.00 0.00 0.00 179.25 180.82 1kby h GLY 239 N 1.69 0.00 1.95 0.00 0.00 -0.85 -2.58 103.07 103.28 1kby h GLY 239 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1kby h GLY 239 CO 0.10 0.00 -0.22 -1.33 0.00 0.00 0.00 176.54 175.10 1kby h GLY 240 N 1.10 0.06 0.19 4.60 0.00 -1.45 -0.29 103.07 107.28 1kby h GLY 240 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.38 1kby h GLY 240 CO 0.01 0.04 -0.02 1.41 0.00 0.00 0.00 176.54 177.97 1kby h LEU 241 N 0.05 -0.24 0.00 3.11 3.38 -1.45 0.45 115.31 120.60 1kby h LEU 241 Ca 0.01 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1kby h LEU 241 Cb 0.42 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1kby h LEU 241 CO 0.03 -0.08 -0.10 -0.03 0.09 0.00 0.00 178.44 178.35 1kby h MET 242 N 0.09 0.00 0.00 1.13 4.05 -1.66 -3.32 114.93 115.22 1kby h MET 242 Ca 0.24 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.58 1kby h MET 242 Cb 0.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1kby h MET 242 CO -0.41 0.26 -0.37 1.88 0.23 0.00 0.00 176.91 178.49 1kby h TYR 243 N -1.00 0.00 0.00 1.39 0.05 -1.04 -3.08 116.97 113.29 1kby h TYR 243 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1kby h TYR 243 Cb 0.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1kby h TYR 243 CO 0.04 0.37 -0.63 0.00 -1.05 0.00 0.00 178.16 176.90 1kby h ALA 244 N 1.63 0.72 0.00 3.88 0.00 -0.28 -3.41 119.26 121.80 1kby h ALA 244 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1kby h ALA 244 Cb 0.84 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1kby h ALA 244 CO 0.05 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1kby n ALA 245 N -2.18 0.00 0.00 0.00 0.00 -1.17 -4.93 120.51 112.23 1kby n ALA 245 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1kby n ALA 245 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1kby n ALA 245 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15