#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksq h LEU 3 N 0.00 0.22 -0.27 0.99 6.46 -2.06 -2.75 115.31 117.91 2ksq h LEU 3 Ca 0.00 -0.47 -0.07 0.00 -0.12 0.00 0.00 57.88 57.22 2ksq h LEU 3 Cb 0.00 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 2ksq h LEU 3 CO 0.00 0.64 -0.10 0.15 -0.62 0.00 0.00 178.44 178.51 2ksq h PHE 4 N -0.20 0.63 0.25 1.25 3.04 -2.06 -2.95 116.94 116.90 2ksq h PHE 4 Ca 0.02 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 61.82 2ksq h PHE 4 Cb 0.58 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.90 2ksq h PHE 4 CO 0.08 0.78 -0.45 0.00 -2.02 0.00 0.00 178.31 176.71 2ksq h ALA 5 N 0.75 -0.89 -0.85 2.41 0.00 -2.01 -1.29 119.26 117.40 2ksq h ALA 5 Ca 0.06 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.03 2ksq h ALA 5 Cb 0.60 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2ksq h ALA 5 CO 0.03 -1.05 0.56 1.03 0.00 0.00 0.00 179.25 179.82 2ksq h SER 6 N -0.77 0.44 0.04 0.00 0.87 -1.55 -1.27 113.55 111.31 2ksq h SER 6 Ca -0.01 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2ksq h SER 6 Cb 0.74 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2ksq h SER 6 CO -0.18 0.20 -0.02 0.50 -0.53 0.00 0.00 176.83 176.80 2ksq h LYS 7 N 0.46 -0.05 -0.46 2.24 3.11 -1.18 -2.40 116.57 118.28 2ksq h LYS 7 Ca 0.43 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.41 2ksq h LYS 7 Cb 0.98 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.20 2ksq h LYS 7 CO -0.16 0.21 0.37 -0.07 -2.81 0.00 0.00 179.45 176.99 2ksq h LEU 8 N -0.32 0.00 -0.23 5.20 -0.00 -0.13 0.16 115.31 119.99 2ksq h LEU 8 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.68 2ksq h LEU 8 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.93 2ksq h LEU 8 CO 0.01 0.00 -0.90 0.15 -0.00 0.00 0.00 178.44 177.69 2ksq h PHE 9 N 0.00 0.13 -0.53 1.13 3.57 -1.11 -3.30 116.94 116.84 2ksq h PHE 9 Ca 0.22 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 2ksq h PHE 9 Cb 0.96 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2ksq h PHE 9 CO 0.00 0.94 0.12 0.77 -2.23 0.00 0.00 178.31 177.91 2ksq h SER 10 N 0.04 0.75 0.23 0.41 0.02 -0.19 -2.46 113.55 112.34 2ksq h SER 10 Ca -0.03 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 2ksq h SER 10 Cb 1.57 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 2ksq h SER 10 CO 0.13 0.74 -0.08 -0.55 -1.14 0.00 0.00 176.83 175.93 2ksq h ASN 11 N 0.78 0.00 0.64 3.07 -1.07 -1.61 -1.66 115.58 115.73 2ksq h ASN 11 Ca 0.17 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.42 2ksq h ASN 11 Cb 0.29 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.52 2ksq h ASN 11 CO -0.00 0.08 -0.59 0.25 0.07 0.00 0.00 177.43 177.24 2ksq h LEU 12 N 0.00 0.00 -3.63 6.14 5.85 -1.59 -3.03 115.31 119.05 2ksq h LEU 12 Ca -0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 2ksq h LEU 12 Cb 0.21 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.10 2ksq h LEU 12 CO 0.01 0.59 0.23 0.49 -0.34 0.00 0.00 178.44 179.42 2ksq n PHE 13 N -3.78 2.04 -0.03 1.25 3.01 -0.65 -4.37 117.46 114.93 2ksq n PHE 13 Ca -0.01 -1.41 -0.03 0.00 1.01 0.00 0.00 57.45 57.01 2ksq n PHE 13 Cb 0.60 -0.65 -0.06 0.00 -0.01 0.00 0.00 39.48 39.37 2ksq n PHE 13 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ksq n GLY 14 N -0.69 -0.35 3.32 1.37 0.00 -1.05 -4.99 105.19 102.80 2ksq n GLY 14 Ca 0.41 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 2ksq n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ksq s ASN 15 N -3.78 3.69 -0.90 1.61 3.04 -1.25 -5.06 114.94 112.29 2ksq s ASN 15 Ca -0.03 -0.41 -0.01 0.00 0.04 0.00 0.00 52.86 52.45 2ksq s ASN 15 Cb 0.02 -1.54 0.26 0.00 -1.54 0.00 0.00 41.25 38.45 2ksq s ASN 15 CO 0.29 0.16 0.99 2.29 -3.04 0.00 0.00 177.10 177.80 2ksq n LYS 16 N 3.53 3.18 -3.80 0.43 0.00 -1.26 -4.98 118.16 115.26 2ksq n LYS 16 Ca -0.18 -4.55 -0.13 0.00 -0.00 0.00 0.00 58.31 53.44 2ksq n LYS 16 Cb 0.53 -2.41 -0.14 0.00 -0.00 0.00 0.00 35.03 33.01 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2ksq s GLU 17 N -2.05 0.05 0.02 -1.58 -1.05 -1.26 0.92 118.70 113.75 2ksq s GLU 17 Ca 0.32 0.19 0.04 0.00 -0.15 0.00 0.00 54.97 55.36 2ksq s GLU 17 Cb 0.02 -0.09 -0.03 0.00 -0.44 0.00 0.00 34.13 33.58 2ksq s GLU 17 CO -0.03 -0.09 -0.08 -1.64 0.95 0.00 0.00 175.26 174.37 2ksq s MET 18 N 0.58 2.47 -0.21 -4.83 -1.94 -0.94 -4.89 119.30 109.54 2ksq s MET 18 Ca -0.05 -0.78 -0.09 0.00 -1.71 0.00 0.00 55.69 53.06 2ksq s MET 18 Cb -0.06 -2.46 -0.05 0.00 2.01 0.00 0.00 34.83 34.27 2ksq s MET 18 CO -0.02 0.58 0.12 1.03 -0.01 0.00 0.00 175.02 176.72 2ksq s ARG 19 N -1.54 4.06 0.13 2.03 3.00 -1.26 -0.73 118.95 124.64 2ksq s ARG 19 Ca 0.18 -0.28 0.05 0.00 0.00 0.00 0.00 55.73 55.68 2ksq s ARG 19 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 34.95 31.40 2ksq s ARG 19 CO 0.08 0.18 -0.12 0.42 0.00 0.00 0.00 175.30 175.86 2ksq s ILE 20 N 0.68 1.25 0.01 1.52 1.09 0.20 0.12 121.20 126.07 2ksq s ILE 20 Ca 0.06 -1.82 0.03 0.00 -1.10 0.00 0.00 60.65 57.83 2ksq s ILE 20 Cb -0.12 -1.61 -0.01 0.00 -1.06 0.00 0.00 42.46 39.65 2ksq s ILE 20 CO 0.01 -0.53 -0.10 -0.22 -0.10 0.00 0.00 174.94 174.00 2ksq s LEU 21 N -2.68 2.07 -0.32 2.97 2.96 -0.67 -0.62 118.68 122.40 2ksq s LEU 21 Ca 0.11 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2ksq s LEU 21 Cb -0.03 -0.46 0.09 0.00 0.50 0.00 0.00 46.19 46.29 2ksq s LEU 21 CO 0.02 0.07 0.01 -0.32 -1.32 0.00 0.00 176.35 174.80 2ksq s MET 22 N -0.52 1.67 0.20 1.98 1.75 0.30 0.59 119.30 125.27 2ksq s MET 22 Ca 0.02 -1.70 0.11 0.00 -1.25 0.00 0.00 55.69 52.87 2ksq s MET 22 Cb -0.05 -3.08 -0.04 0.00 2.84 0.00 0.00 34.83 34.50 2ksq s MET 22 CO 0.00 -0.83 -0.21 0.14 -0.65 0.00 0.00 175.02 173.46 2ksq s VAL 23 N 0.98 2.19 -0.62 10.11 -7.23 -1.07 -2.16 120.40 122.60 2ksq s VAL 23 Ca 0.05 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2ksq s VAL 23 Cb -0.19 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2ksq s VAL 23 CO -0.08 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 2ksq n GLY 24 N 0.12 -1.26 0.00 2.32 0.00 -1.26 -1.63 105.19 103.47 2ksq n GLY 24 Ca -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2ksq n GLY 24 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ksq n LEU 25 N 0.00 0.00 -1.18 0.99 7.94 -1.26 -4.82 117.00 118.68 2ksq n LEU 25 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2ksq n LEU 25 Cb 0.00 0.00 0.12 0.00 0.53 0.00 0.00 43.42 44.07 2ksq n LEU 25 CO 0.00 -0.83 0.60 -0.90 -1.11 0.00 0.00 177.39 175.15 2ksq n ASP 26 N -0.88 2.94 0.00 1.96 5.75 -1.26 -4.21 116.55 120.84 2ksq n ASP 26 Ca 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.35 2ksq n ASP 26 Cb 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ksq n GLY 27 N 0.10 0.00 0.10 6.12 0.00 -1.26 -4.91 105.19 105.34 2ksq n GLY 27 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2ksq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ksq h ALA 28 N 0.00 -0.13 0.00 4.61 0.00 -1.88 -3.48 119.26 118.38 2ksq h ALA 28 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ksq h ALA 28 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ksq h ALA 28 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.20 2ksq n GLY 29 N -0.50 0.88 0.29 0.00 0.00 -1.26 -4.81 105.19 99.79 2ksq n GLY 29 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 2ksq n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ksq h LYS 30 N 0.00 0.91 -0.10 1.61 1.57 -1.92 -1.46 116.57 117.17 2ksq h LYS 30 Ca 0.00 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.30 2ksq h LYS 30 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2ksq h LYS 30 CO 0.00 0.92 -0.77 1.79 -0.57 0.00 0.00 179.45 180.82 2ksq h THR 31 N 0.84 1.33 0.03 -0.16 1.35 -1.93 -2.17 112.91 112.21 2ksq h THR 31 Ca 0.15 -2.09 -0.00 0.00 -0.55 0.00 0.00 66.41 63.92 2ksq h THR 31 Cb 0.52 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2ksq h THR 31 CO 0.03 0.64 -0.02 0.74 -0.25 0.00 0.00 175.52 176.66 2ksq h THR 32 N 0.39 1.13 -0.03 6.82 2.02 -1.87 -2.68 112.91 118.68 2ksq h THR 32 Ca -0.05 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2ksq h THR 32 Cb 1.37 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2ksq h THR 32 CO 0.14 0.13 -0.01 0.58 0.37 0.00 0.00 175.52 176.73 2ksq h VAL 33 N -0.26 1.29 -0.98 3.16 2.07 -1.36 -2.67 116.25 117.51 2ksq h VAL 33 Ca -0.00 -0.89 0.22 0.00 0.82 0.00 0.00 66.70 66.84 2ksq h VAL 33 Cb 0.24 1.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 2ksq h VAL 33 CO 0.01 0.24 0.62 0.25 0.02 0.00 0.00 177.57 178.71 2ksq h LEU 34 N -0.29 0.56 -0.20 2.57 5.85 -1.45 0.51 115.31 122.87 2ksq h LEU 34 Ca 0.01 0.07 -0.21 0.00 0.84 0.00 0.00 57.88 58.60 2ksq h LEU 34 Cb 0.39 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2ksq h LEU 34 CO 0.00 0.18 -0.93 1.88 -0.34 0.00 0.00 178.44 179.23 2ksq h TYR 35 N 0.54 0.25 -0.08 1.25 0.05 -1.43 -2.15 116.97 115.40 2ksq h TYR 35 Ca 0.55 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 59.12 2ksq h TYR 35 Cb 1.17 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.88 2ksq h TYR 35 CO -0.00 1.00 -0.17 -0.22 -1.05 0.00 0.00 178.16 177.71 2ksq h LYS 36 N 0.08 0.26 0.00 4.88 3.11 -0.60 0.91 116.57 125.20 2ksq h LYS 36 Ca -0.05 -0.17 -0.13 0.00 -2.81 0.00 0.00 60.65 57.49 2ksq h LYS 36 Cb 1.59 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.83 2ksq h LYS 36 CO 0.14 0.77 -0.61 1.25 -2.81 0.00 0.00 179.45 178.18 2ksq h LEU 37 N -0.22 0.00 0.07 5.20 6.46 -1.26 0.86 115.31 126.41 2ksq h LEU 37 Ca 0.00 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.42 2ksq h LEU 37 Cb 0.77 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.66 2ksq h LEU 37 CO 0.04 0.61 -1.93 1.17 -0.62 0.00 0.00 178.44 177.71 2ksq n LYS 38 N -3.65 0.71 -0.00 1.25 0.00 -0.81 -4.42 118.16 111.23 2ksq n LYS 38 Ca -0.01 0.26 0.08 0.00 0.00 0.00 0.00 58.31 58.65 2ksq n LYS 38 Cb 0.64 -1.73 -0.11 0.00 0.00 0.00 0.00 35.03 33.84 2ksq n LYS 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2ksq n LEU 39 N -3.28 0.50 0.00 3.14 0.00 0.31 -4.97 117.00 112.70 2ksq n LEU 39 Ca -0.27 -0.32 0.00 0.00 0.00 0.00 0.00 56.01 55.42 2ksq n LEU 39 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.47 2ksq n LEU 39 CO 0.43 0.12 0.00 0.61 0.00 0.00 0.00 177.39 178.55 2ksq n GLY 40 N 1.44 1.12 3.04 -3.96 0.00 0.30 -4.97 105.19 102.16 2ksq n GLY 40 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2ksq n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksq s GLU 41 N -0.14 0.48 -0.09 1.61 2.02 -1.24 -4.97 118.70 116.37 2ksq s GLU 41 Ca 0.00 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 54.06 2ksq s GLU 41 Cb 0.00 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 33.97 2ksq s GLU 41 CO 0.00 0.04 0.80 0.08 0.02 0.00 0.00 175.26 176.20 2ksq s VAL 42 N -1.26 4.95 0.38 2.63 1.01 -1.26 -3.90 120.40 122.96 2ksq s VAL 42 Ca -0.10 1.64 0.06 0.00 0.00 0.00 0.00 61.98 63.58 2ksq s VAL 42 Cb -0.09 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 2ksq s VAL 42 CO 0.00 0.15 0.03 0.27 0.00 0.00 0.00 175.10 175.55 2ksq s ILE 43 N 1.33 1.75 -0.17 2.22 -0.00 -1.26 -5.10 121.20 119.96 2ksq s ILE 43 Ca 0.41 -2.00 -0.29 0.00 -0.00 0.00 0.00 60.65 58.77 2ksq s ILE 43 Cb -0.18 -2.94 -0.02 0.00 -0.00 0.00 0.00 42.46 39.33 2ksq s ILE 43 CO 0.18 0.00 1.32 0.28 -0.00 0.00 0.00 174.94 176.72 2ksq s THR 44 N -2.89 4.18 0.30 8.37 -1.32 -1.26 -4.95 115.64 118.07 2ksq s THR 44 Ca 0.35 1.41 0.06 0.00 -1.21 0.00 0.00 61.69 62.30 2ksq s THR 44 Cb 0.10 -3.96 -0.02 0.00 -1.51 0.00 0.00 72.50 67.11 2ksq s THR 44 CO 0.17 -0.18 0.44 0.42 -2.21 0.00 0.00 174.62 173.26 2ksq s THR 45 N 3.72 4.56 0.18 5.08 -4.23 -1.26 -5.09 115.64 118.60 2ksq s THR 45 Ca 0.57 -0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 60.01 2ksq s THR 45 Cb -0.22 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2ksq s THR 45 CO 0.17 -0.24 0.36 0.27 -0.54 0.00 0.00 174.62 174.64 2ksq s ILE 46 N -2.12 0.05 -0.24 2.99 -5.25 -1.26 -5.11 121.20 110.26 2ksq s ILE 46 Ca 0.41 -1.25 -0.30 0.00 -0.99 0.00 0.00 60.65 58.51 2ksq s ILE 46 Cb -0.09 -1.82 -0.07 0.00 2.95 0.00 0.00 42.46 43.42 2ksq s ILE 46 CO 0.31 -0.22 2.20 -2.65 -1.79 0.00 0.00 174.94 172.78 2ksq n PRO 47 N -0.26 1.75 -2.94 0.37 -0.02 -1.26 -4.92 135.00 127.72 2ksq n PRO 47 Ca -0.07 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.48 2ksq n PRO 47 Cb 0.63 -3.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.06 2ksq n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ksq s THR 48 N 7.79 4.87 -0.45 3.45 2.01 -1.26 -4.86 115.64 127.19 2ksq s THR 48 Ca 1.03 1.48 -0.21 0.00 0.31 0.00 0.00 61.69 64.30 2ksq s THR 48 Cb -0.50 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 67.96 2ksq s THR 48 CO 0.40 -0.04 0.69 -0.51 -0.69 0.00 0.00 174.62 174.47 2ksq s ILE 49 N 2.67 4.77 0.00 1.82 1.10 -1.26 -1.28 121.20 129.03 2ksq s ILE 49 Ca 0.33 0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.64 2ksq s ILE 49 Cb -0.15 -4.25 0.00 0.00 0.15 0.00 0.00 42.46 38.21 2ksq s ILE 49 CO 0.08 -0.65 0.00 0.61 -2.11 0.00 0.00 174.94 172.87 2ksq n GLY 50 N 5.03 0.72 3.14 1.50 0.00 -1.25 -4.99 105.19 109.34 2ksq n GLY 50 Ca -0.01 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.57 2ksq n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ksq s PHE 51 N 0.00 0.78 -0.07 1.61 -0.71 -1.26 -2.49 117.98 115.83 2ksq s PHE 51 Ca 0.00 -1.18 -0.04 0.00 -1.04 0.00 0.00 56.93 54.68 2ksq s PHE 51 Cb 0.00 -0.46 0.04 0.00 -1.21 0.00 0.00 43.02 41.38 2ksq s PHE 51 CO 0.00 -0.46 0.17 1.21 -1.34 0.00 0.00 175.22 174.80 2ksq s ASN 52 N -3.02 -0.16 0.08 1.98 3.84 -0.90 -4.97 114.94 111.80 2ksq s ASN 52 Ca 0.19 0.36 -0.03 0.00 0.21 0.00 0.00 52.86 53.59 2ksq s ASN 52 Cb 0.08 0.26 -0.05 0.00 -0.55 0.00 0.00 41.25 40.99 2ksq s ASN 52 CO -0.02 -0.14 0.28 -0.69 -2.79 0.00 0.00 177.10 173.75 2ksq s VAL 53 N 0.99 5.30 -0.07 -5.21 1.01 -1.26 0.00 120.40 121.16 2ksq s VAL 53 Ca -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2ksq s VAL 53 Cb -0.09 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2ksq s VAL 53 CO -0.05 0.15 0.06 -0.70 0.00 0.00 0.00 175.10 174.56 2ksq s GLU 54 N -2.41 0.00 -0.44 2.72 2.56 -0.71 -4.98 118.70 115.45 2ksq s GLU 54 Ca 0.35 0.25 -0.21 0.00 0.00 0.00 0.00 54.97 55.36 2ksq s GLU 54 Cb -0.13 -0.85 0.02 0.00 2.00 0.00 0.00 34.13 35.18 2ksq s GLU 54 CO 0.24 -0.41 0.68 0.00 -0.56 0.00 0.00 175.26 175.21 2ksq s VAL 56 N 2.93 1.54 -0.20 0.00 0.11 -0.51 -5.03 120.40 119.25 2ksq s VAL 56 Ca 0.24 -0.80 -0.09 0.00 -2.93 0.00 0.00 61.98 58.41 2ksq s VAL 56 Cb -0.14 -1.30 -0.04 0.00 -1.53 0.00 0.00 36.38 33.37 2ksq s VAL 56 CO 0.20 0.44 0.10 -1.58 -3.33 0.00 0.00 175.10 170.92 2ksq s GLN 57 N -0.18 4.03 -0.16 1.54 2.00 -1.26 -0.54 119.66 125.09 2ksq s GLN 57 Ca 0.01 -0.31 -0.07 0.00 -2.00 0.00 0.00 55.36 52.99 2ksq s GLN 57 Cb -0.10 -3.32 0.07 0.00 0.80 0.00 0.00 33.01 30.45 2ksq s GLN 57 CO 0.01 0.23 0.35 -0.47 -0.50 0.00 0.00 175.29 174.91 2ksq s TYR 58 N 0.53 -0.57 -1.45 1.67 6.14 -0.34 -4.91 117.35 118.41 2ksq s TYR 58 Ca 0.05 1.20 -0.11 0.00 0.64 0.00 0.00 57.07 58.85 2ksq s TYR 58 Cb -0.12 0.18 0.05 0.00 0.42 0.00 0.00 41.96 42.49 2ksq s TYR 58 CO 0.00 -0.36 1.06 0.00 0.64 0.00 0.00 175.55 176.89 2ksq n ASN 60 N -2.90 0.00 -4.93 0.00 5.15 -1.26 -5.00 115.26 106.32 2ksq n ASN 60 Ca 0.02 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.72 2ksq n ASN 60 Cb 0.54 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 39.14 2ksq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2ksq s ILE 61 N -3.22 5.31 -0.92 -1.44 1.01 0.07 -4.83 121.20 117.17 2ksq s ILE 61 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 2ksq s ILE 61 Cb 0.00 -3.68 0.24 0.00 0.01 0.00 0.00 42.46 39.02 2ksq s ILE 61 CO 0.00 0.00 0.86 -0.44 0.00 0.00 0.00 174.94 175.37 2ksq s SER 62 N -2.83 6.78 -0.27 3.58 0.01 0.26 -1.20 113.70 120.02 2ksq s SER 62 Ca 0.36 -3.11 -0.29 0.00 1.31 0.00 0.00 55.95 54.22 2ksq s SER 62 Cb -0.12 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2ksq s SER 62 CO 0.28 -0.42 1.25 -0.36 0.41 0.00 0.00 173.24 174.40 2ksq s PHE 63 N -0.48 2.81 -0.33 2.43 0.40 0.30 -2.21 117.98 120.90 2ksq s PHE 63 Ca 0.23 0.97 -0.09 0.00 -0.60 0.00 0.00 56.93 57.43 2ksq s PHE 63 Cb -0.11 -3.77 0.01 0.00 0.51 0.00 0.00 43.02 39.66 2ksq s PHE 63 CO -0.08 -1.53 0.15 0.95 0.70 0.00 0.00 175.22 175.41 2ksq s THR 64 N 4.05 4.41 -0.26 0.64 -4.23 0.09 -1.42 115.64 118.92 2ksq s THR 64 Ca 0.54 -0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2ksq s THR 64 Cb -0.17 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.38 2ksq s THR 64 CO 0.20 -0.03 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.49 2ksq s VAL 65 N 1.56 2.72 -0.16 2.29 1.01 -0.81 0.63 120.40 127.63 2ksq s VAL 65 Ca 0.03 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.63 2ksq s VAL 65 Cb -0.18 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2ksq s VAL 65 CO 0.05 0.10 0.36 0.26 0.00 0.00 0.00 175.10 175.88 2ksq s TRP 66 N 1.26 3.45 -0.24 5.22 0.51 0.21 -1.73 118.94 127.62 2ksq s TRP 66 Ca -0.03 0.67 0.02 0.00 -2.12 0.00 0.00 56.10 54.65 2ksq s TRP 66 Cb -0.18 -2.43 0.06 0.00 -0.81 0.00 0.00 33.47 30.10 2ksq s TRP 66 CO -0.04 0.17 -0.10 0.16 -0.51 0.00 0.00 176.95 176.62 2ksq s ASP 67 N 0.64 4.12 0.12 2.95 -4.77 0.10 0.11 116.67 119.94 2ksq s ASP 67 Ca 0.19 -1.25 -0.20 0.00 -3.30 0.00 0.00 52.55 48.00 2ksq s ASP 67 Cb -0.14 -1.42 -0.07 0.00 -1.09 0.00 0.00 42.92 40.20 2ksq s ASP 67 CO 0.06 -0.19 0.62 -0.69 0.70 0.00 0.00 175.17 175.68 2ksq s VAL 68 N 1.21 4.67 0.14 2.11 1.01 -0.92 -2.13 120.40 126.50 2ksq s VAL 68 Ca -0.07 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.20 2ksq s VAL 68 Cb -0.19 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 2ksq s VAL 68 CO -0.06 0.45 0.09 0.61 0.00 0.00 0.00 175.10 176.20 2ksq n GLY 69 N 1.42 3.64 0.00 4.51 0.00 -1.04 -4.65 105.19 109.07 2ksq n GLY 69 Ca -0.08 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2ksq n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksq n GLY 70 N 0.16 1.69 0.00 -0.02 0.00 -0.40 -3.93 105.19 102.68 2ksq n GLY 70 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2ksq n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ksq n GLN 71 N 0.00 -2.96 -0.32 1.61 10.64 -1.26 -4.73 117.38 120.35 2ksq n GLN 71 Ca 0.00 0.00 0.21 0.00 -1.83 0.00 0.00 57.00 55.38 2ksq n GLN 71 Cb 0.00 0.00 0.47 0.00 -0.86 0.00 0.00 30.24 29.85 2ksq n GLN 71 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 2ksq h ASP 72 N 0.00 0.51 -0.31 2.61 2.03 -1.92 0.42 116.42 119.76 2ksq h ASP 72 Ca 0.00 0.09 0.09 0.00 -0.73 0.00 0.00 57.03 56.48 2ksq h ASP 72 Cb 0.00 0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2ksq h ASP 72 CO 0.00 0.11 0.39 -0.09 -1.03 0.00 0.00 179.24 178.62 2ksq h ARG 73 N 0.46 0.00 0.00 4.15 9.65 -1.99 0.92 114.38 127.57 2ksq h ARG 73 Ca 0.59 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.47 2ksq h ARG 73 Cb 1.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 2ksq h ARG 73 CO -0.32 0.00 -0.95 -0.89 2.80 0.00 0.00 179.97 180.61 2ksq n ILE 74 N -3.60 0.00 -0.40 1.20 5.41 0.14 -4.52 119.36 117.59 2ksq n ILE 74 Ca 0.05 -0.19 0.39 0.00 1.00 0.00 0.00 62.75 64.00 2ksq n ILE 74 Cb 0.53 0.80 0.76 0.00 -0.71 0.00 0.00 39.64 41.03 2ksq n ILE 74 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2ksq h ARG 75 N 0.00 0.01 -0.29 0.38 -0.00 -0.18 0.85 114.38 115.16 2ksq h ARG 75 Ca 0.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.90 2ksq h ARG 75 Cb 0.44 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.39 2ksq h ARG 75 CO 0.00 0.01 -0.16 0.77 -0.00 0.00 0.00 179.97 180.59 2ksq h SER 76 N 0.01 0.49 0.23 0.08 0.02 -1.80 -2.35 113.55 110.25 2ksq h SER 76 Ca 0.65 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2ksq h SER 76 Cb 2.57 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.98 2ksq h SER 76 CO -0.02 0.67 0.00 -0.07 -1.14 0.00 0.00 176.83 176.27 2ksq h LEU 77 N 0.46 0.00 -2.23 5.07 4.07 0.43 -2.72 115.31 120.39 2ksq h LEU 77 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2ksq h LEU 77 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2ksq h LEU 77 CO 0.03 0.00 0.12 -0.50 -1.08 0.00 0.00 178.44 177.02 2ksq h TRP 78 N 0.00 0.00 -0.71 1.13 6.55 -1.47 0.29 115.95 121.75 2ksq h TRP 78 Ca 0.00 0.00 -0.27 0.00 0.95 0.00 0.00 58.89 59.57 2ksq h TRP 78 Cb 0.12 0.00 -0.16 0.00 -0.86 0.00 0.00 29.16 28.26 2ksq h TRP 78 CO 0.00 0.00 0.34 -2.13 -1.05 0.00 0.00 178.44 175.60 2ksq n ARG 79 N -2.78 2.96 -0.47 0.49 3.00 -1.03 -4.09 116.66 114.75 2ksq n ARG 79 Ca -0.02 -2.60 0.00 0.00 -0.00 0.00 0.00 57.85 55.22 2ksq n ARG 79 Cb 0.17 -2.06 0.00 0.00 0.00 0.00 0.00 32.46 30.57 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2ksq n HIS 80 N -0.33 0.00 0.08 -0.14 8.25 0.09 -4.90 115.22 118.27 2ksq n HIS 80 Ca 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.87 2ksq n HIS 80 Cb 1.33 0.11 -0.03 0.00 1.12 0.00 0.00 29.99 32.51 2ksq n HIS 80 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 2ksq h TYR 81 N 0.00 0.00 0.00 4.41 -0.00 -1.70 -3.47 116.97 116.21 2ksq h TYR 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2ksq h TYR 81 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 2ksq h TYR 81 CO -0.11 0.55 0.00 0.98 -0.00 0.00 0.00 178.16 179.59 2ksq n TYR 82 N -3.06 0.00 -2.33 0.10 4.19 -1.26 -5.00 117.16 109.80 2ksq n TYR 82 Ca -0.04 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.06 2ksq n TYR 82 Cb 0.79 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.62 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2ksq n ASN 84 N -0.21 0.41 -4.71 0.00 5.15 -1.26 -5.09 115.26 109.55 2ksq n ASN 84 Ca -0.11 -1.99 -0.42 0.00 -0.60 0.00 0.00 54.58 51.46 2ksq n ASN 84 Cb 0.59 -0.23 -0.03 0.00 -0.53 0.00 0.00 39.78 39.58 2ksq n ASN 84 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2ksq s THR 85 N 0.00 4.32 -0.10 -0.44 2.01 -1.26 -4.60 115.64 115.56 2ksq s THR 85 Ca 0.14 1.66 0.16 0.00 0.31 0.00 0.00 61.69 63.96 2ksq s THR 85 Cb 0.16 -4.06 -0.15 0.00 0.01 0.00 0.00 72.50 68.46 2ksq s THR 85 CO -0.07 0.11 0.80 -0.08 -0.69 0.00 0.00 174.62 174.69 2ksq h GLU 86 N 6.91 0.00 -3.06 4.92 4.57 0.52 -3.41 114.58 125.03 2ksq h GLU 86 Ca -0.40 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.54 2ksq h GLU 86 Cb 1.21 0.00 -0.33 0.00 -0.16 0.00 0.00 28.75 29.47 2ksq h GLU 86 CO 0.81 0.34 -0.57 0.20 -1.18 0.00 0.00 179.01 178.60 2ksq s GLY 87 N -4.86 -0.05 -0.26 1.92 0.00 -0.25 -3.01 107.32 100.82 2ksq s GLY 87 Ca -0.03 0.76 -0.08 0.00 0.00 0.00 0.00 44.72 45.37 2ksq s GLY 87 CO 0.81 1.50 0.10 0.14 0.00 0.00 0.00 173.10 175.65 2ksq s VAL 88 N 1.85 4.50 -0.38 1.40 1.01 -0.97 -1.66 120.40 126.15 2ksq s VAL 88 Ca -0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 2ksq s VAL 88 Cb -0.12 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.15 2ksq s VAL 88 CO -0.07 0.31 0.49 -0.63 0.00 0.00 0.00 175.10 175.19 2ksq s ILE 89 N 1.64 5.03 -0.18 2.22 1.01 0.20 -0.07 121.20 131.05 2ksq s ILE 89 Ca 0.06 0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 2ksq s ILE 89 Cb -0.15 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 2ksq s ILE 89 CO 0.05 -0.32 0.52 -0.36 0.00 0.00 0.00 174.94 174.83 2ksq s PHE 90 N 2.32 3.41 -0.22 3.97 0.08 0.33 -2.59 117.98 125.29 2ksq s PHE 90 Ca 0.16 0.82 -0.11 0.00 0.12 0.00 0.00 56.93 57.92 2ksq s PHE 90 Cb -0.16 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.59 2ksq s PHE 90 CO 0.14 -0.03 0.19 0.08 -0.10 0.00 0.00 175.22 175.51 2ksq s VAL 91 N 1.36 5.35 -0.08 -0.44 1.01 -0.65 -2.04 120.40 124.91 2ksq s VAL 91 Ca 0.25 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2ksq s VAL 91 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2ksq s VAL 91 CO 0.10 0.36 -0.11 0.68 0.00 0.00 0.00 175.10 176.14 2ksq s VAL 92 N 0.85 1.07 0.04 2.92 -7.23 -1.17 -4.14 120.40 112.75 2ksq s VAL 92 Ca 0.10 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.55 2ksq s VAL 92 Cb -0.13 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 2ksq s VAL 92 CO 0.03 0.35 1.47 -1.81 -0.31 0.00 0.00 175.10 174.83 2ksq s ASP 93 N 0.94 6.78 -0.01 4.85 1.11 -1.26 -0.04 116.67 129.04 2ksq s ASP 93 Ca -0.09 2.25 0.05 0.00 0.18 0.00 0.00 52.55 54.94 2ksq s ASP 93 Cb -0.15 -2.57 -0.24 0.00 1.07 0.00 0.00 42.92 41.03 2ksq s ASP 93 CO 0.00 -0.75 0.78 0.28 1.18 0.00 0.00 175.17 176.66 2ksq h SER 94 N 7.77 0.16 0.22 0.27 0.02 -1.65 -3.33 113.55 117.01 2ksq h SER 94 Ca -0.40 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2ksq h SER 94 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2ksq h SER 94 CO 0.90 1.23 -0.02 -3.20 -1.14 0.00 0.00 176.83 174.61 2ksq n ASN 95 N -3.26 0.19 -4.05 3.07 2.85 -1.26 -3.93 115.26 108.86 2ksq n ASN 95 Ca -0.16 -0.72 -0.35 0.00 -0.11 0.00 0.00 54.58 53.24 2ksq n ASN 95 Cb 1.03 -0.09 -0.06 0.00 1.24 0.00 0.00 39.78 41.89 2ksq n ASN 95 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2ksq n ASP 96 N -0.99 4.24 0.20 1.20 9.92 -1.25 -4.87 116.55 125.00 2ksq n ASP 96 Ca 0.19 -3.17 0.05 0.00 -0.53 0.00 0.00 54.79 51.33 2ksq n ASP 96 Cb 0.19 -1.03 0.41 0.00 -0.64 0.00 0.00 41.12 40.06 2ksq n ASP 96 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2ksq h ARG 97 N 5.81 0.00 -0.31 -1.24 -0.00 -1.86 -2.36 114.38 114.42 2ksq h ARG 97 Ca 0.17 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 60.19 2ksq h ARG 97 Cb 0.79 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.71 2ksq h ARG 97 CO 0.88 0.33 0.05 0.66 -0.00 0.00 0.00 179.97 181.88 2ksq h SER 98 N 0.00 -0.02 0.04 0.08 4.64 -1.97 -2.40 113.55 113.92 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2ksq h SER 98 Cb 0.65 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2ksq h SER 98 CO 0.04 0.02 -0.12 0.54 -0.87 0.00 0.00 176.83 176.45 2ksq n ARG 99 N -5.11 1.55 -0.00 4.77 1.74 -1.19 -4.44 116.66 113.98 2ksq n ARG 99 Ca 0.00 -1.06 0.21 0.00 -0.77 0.00 0.00 57.85 56.23 2ksq n ARG 99 Cb 0.14 -1.48 0.50 0.00 -1.02 0.00 0.00 32.46 30.61 2ksq n ARG 99 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2ksq h ILE 100 N 2.59 0.10 0.03 0.55 1.08 -0.88 0.57 117.51 121.56 2ksq h ILE 100 Ca 0.00 0.00 -0.32 0.00 -0.39 0.00 0.00 64.86 64.15 2ksq h ILE 100 Cb 0.64 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 2ksq h ILE 100 CO 0.00 0.00 -1.89 0.61 -0.69 0.00 0.00 178.15 176.18 2ksq n GLY 101 N -1.58 -0.86 0.31 5.37 0.00 -1.26 -2.99 105.19 104.18 2ksq n GLY 101 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2ksq n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ksq h GLU 102 N 0.02 0.80 -0.09 1.61 5.08 -0.20 0.25 114.58 122.06 2ksq h GLU 102 Ca -0.36 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 2ksq h GLU 102 Cb 2.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2ksq h GLU 102 CO 0.07 0.69 -0.23 0.00 -1.00 0.00 0.00 179.01 178.53 2ksq h ALA 103 N 1.42 0.15 -0.58 3.43 0.00 -1.42 -2.62 119.26 119.63 2ksq h ALA 103 Ca 0.18 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2ksq h ALA 103 Cb 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ksq h ALA 103 CO -0.01 0.12 0.38 -0.09 0.00 0.00 0.00 179.25 179.65 2ksq h ARG 104 N -0.15 0.74 -0.66 0.00 1.12 -1.38 -1.60 114.38 112.46 2ksq h ARG 104 Ca -0.00 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2ksq h ARG 104 Cb 0.84 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 30.60 2ksq h ARG 104 CO 0.05 0.49 0.39 1.49 -3.11 0.00 0.00 179.97 179.28 2ksq h GLU 105 N 0.77 0.89 -0.28 0.20 4.22 -0.53 -1.51 114.58 118.34 2ksq h GLU 105 Ca 0.22 -0.08 -0.10 0.00 0.08 0.00 0.00 59.36 59.48 2ksq h GLU 105 Cb -0.06 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2ksq h GLU 105 CO -0.06 0.63 -0.26 0.28 -2.18 0.00 0.00 179.01 177.42 2ksq h VAL 106 N 0.90 1.27 0.04 0.32 2.07 -1.01 -2.92 116.25 116.93 2ksq h VAL 106 Ca 0.24 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 2ksq h VAL 106 Cb -0.03 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2ksq h VAL 106 CO -0.04 0.42 -0.02 0.24 0.02 0.00 0.00 177.57 178.19 2ksq h MET 107 N 0.48 -0.05 -0.96 1.57 2.86 -0.35 -2.74 114.93 115.74 2ksq h MET 107 Ca 0.07 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 2ksq h MET 107 Cb 0.70 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.29 2ksq h MET 107 CO 0.05 0.09 0.61 1.96 1.06 0.00 0.00 176.91 180.69 2ksq h GLN 108 N -0.19 0.66 -0.72 1.72 1.08 -1.26 0.38 115.11 116.80 2ksq h GLN 108 Ca -0.01 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2ksq h GLN 108 Cb 0.17 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2ksq h GLN 108 CO 0.01 0.44 0.40 -0.09 -0.95 0.00 0.00 178.83 178.64 2ksq h ARG 109 N 0.68 0.99 -0.13 1.46 2.43 -1.30 0.80 114.38 119.31 2ksq h ARG 109 Ca 0.52 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.51 2ksq h ARG 109 Cb 0.91 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2ksq h ARG 109 CO -0.29 0.74 -0.17 0.52 -1.51 0.00 0.00 179.97 179.26 2ksq h MET 110 N 0.98 0.36 0.00 0.20 2.86 -0.52 -2.56 114.93 116.25 2ksq h MET 110 Ca 0.25 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2ksq h MET 110 Cb 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2ksq h MET 110 CO -0.04 0.77 -0.26 1.25 1.06 0.00 0.00 176.91 179.69 2ksq h LEU 111 N -0.04 0.00 -0.37 1.22 6.46 -0.14 -2.64 115.31 119.79 2ksq h LEU 111 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2ksq h LEU 111 Cb 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2ksq h LEU 111 CO 0.04 0.26 -0.25 -3.20 -0.62 0.00 0.00 178.44 174.67 2ksq n ASN 112 N -3.55 0.83 -4.71 1.25 4.05 0.28 -4.85 115.26 108.55 2ksq n ASN 112 Ca -0.01 -0.72 -0.41 0.00 0.45 0.00 0.00 54.58 53.89 2ksq n ASN 112 Cb 0.41 0.10 -0.04 0.00 1.23 0.00 0.00 39.78 41.48 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2ksq s GLU 113 N -2.57 4.52 0.41 1.20 2.02 -0.97 -4.93 118.70 118.37 2ksq s GLU 113 Ca 0.23 1.24 0.12 0.00 0.02 0.00 0.00 54.97 56.58 2ksq s GLU 113 Cb 0.19 -3.45 0.85 0.00 0.10 0.00 0.00 34.13 31.81 2ksq s GLU 113 CO 0.53 -0.01 1.92 0.38 0.02 0.00 0.00 175.26 178.11 2ksq h ASP 114 N 6.76 0.08 0.60 -0.19 3.04 -1.89 -1.70 116.42 123.10 2ksq h ASP 114 Ca -0.41 -0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 2ksq h ASP 114 Cb 1.21 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2ksq h ASP 114 CO 0.75 0.30 0.00 -0.62 -2.04 0.00 0.00 179.24 177.64 2ksq n GLU 115 N -4.24 0.01 -0.17 4.15 -0.58 -1.26 -2.92 120.64 115.63 2ksq n GLU 115 Ca -0.02 0.21 0.07 0.00 -0.42 0.00 0.00 57.16 57.01 2ksq n GLU 115 Cb 0.30 -1.51 0.10 0.00 -0.57 0.00 0.00 31.44 29.76 2ksq n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ksq n LEU 116 N -1.52 1.77 0.00 -4.62 4.77 -0.66 -4.72 117.00 112.01 2ksq n LEU 116 Ca 0.04 -2.55 0.12 0.00 -0.03 0.00 0.00 56.01 53.60 2ksq n LEU 116 Cb 0.20 -0.32 0.70 0.00 -2.33 0.00 0.00 43.42 41.68 2ksq n LEU 116 CO 0.16 0.59 0.92 0.00 -1.33 0.00 0.00 177.39 177.74 2ksq n ASN 118 N -1.13 1.02 -4.87 0.00 4.05 -1.26 -4.99 115.26 108.08 2ksq n ASN 118 Ca 0.16 -1.01 -0.34 0.00 0.45 0.00 0.00 54.58 53.84 2ksq n ASN 118 Cb 0.14 0.63 -0.05 0.00 1.23 0.00 0.00 39.78 41.72 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ksq s ALA 119 N -1.58 3.69 1.18 5.20 0.00 -1.13 -4.87 121.76 124.25 2ksq s ALA 119 Ca 0.07 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 2ksq s ALA 119 Cb 0.08 -2.32 0.28 0.00 0.00 0.00 0.00 23.12 21.17 2ksq s ALA 119 CO 0.31 0.55 1.16 0.00 0.00 0.00 0.00 175.76 177.78 2ksq s ALA 120 N -1.46 0.92 -0.40 0.00 0.00 -1.16 -4.72 121.76 114.93 2ksq s ALA 120 Ca 0.36 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2ksq s ALA 120 Cb -0.14 -2.83 0.22 0.00 0.00 0.00 0.00 23.12 20.37 2ksq s ALA 120 CO 0.19 -3.44 0.47 1.87 0.00 0.00 0.00 175.76 174.85 2ksq n TRP 121 N -4.62 -0.67 -2.84 0.00 -0.00 -0.96 -2.29 117.44 106.06 2ksq n TRP 121 Ca 0.15 -3.41 -0.42 0.00 -0.00 0.00 0.00 57.50 53.81 2ksq n TRP 121 Cb 0.60 -0.08 -0.04 0.00 -0.00 0.00 0.00 31.31 31.78 2ksq n TRP 121 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 2ksq s LEU 122 N -0.73 4.03 -0.07 5.87 0.20 0.90 -2.67 118.68 126.20 2ksq s LEU 122 Ca 0.34 0.60 -0.13 0.00 0.69 0.00 0.00 54.13 55.63 2ksq s LEU 122 Cb 0.13 -3.22 -0.05 0.00 -0.43 0.00 0.00 46.19 42.62 2ksq s LEU 122 CO -0.14 -0.80 0.31 -0.69 -0.29 0.00 0.00 176.35 174.74 2ksq s VAL 123 N 3.34 5.23 -0.25 1.68 1.01 0.19 0.12 120.40 131.72 2ksq s VAL 123 Ca 0.37 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 2ksq s VAL 123 Cb -0.13 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.72 2ksq s VAL 123 CO 0.17 0.53 0.09 -0.36 0.00 0.00 0.00 175.10 175.53 2ksq s PHE 124 N -0.62 0.89 -0.34 5.22 0.08 -0.87 -1.65 117.98 120.69 2ksq s PHE 124 Ca 0.20 -1.02 -0.27 0.00 0.12 0.00 0.00 56.93 55.95 2ksq s PHE 124 Cb -0.14 -1.12 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2ksq s PHE 124 CO 0.08 -0.73 2.19 0.00 -0.10 0.00 0.00 175.22 176.67 2ksq s ALA 125 N 1.90 2.38 0.72 5.36 0.00 -0.58 -3.02 121.76 128.53 2ksq s ALA 125 Ca 0.05 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 2ksq s ALA 125 Cb -0.17 -4.16 0.02 0.00 0.00 0.00 0.00 23.12 18.81 2ksq s ALA 125 CO -0.21 -3.35 1.07 1.21 0.00 0.00 0.00 175.76 174.49 2ksq s ASN 126 N 9.15 5.20 -1.67 0.00 3.84 0.95 -2.75 114.94 129.65 2ksq s ASN 126 Ca 0.95 1.46 0.00 0.00 0.21 0.00 0.00 52.86 55.48 2ksq s ASN 126 Cb -0.25 -2.31 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 2ksq s ASN 126 CO 0.31 -1.54 0.00 0.29 -2.79 0.00 0.00 177.10 173.38 2ksq n LYS 127 N -3.17 -1.24 0.24 0.43 5.02 -1.26 -1.75 118.16 116.43 2ksq n LYS 127 Ca 0.07 1.00 0.07 0.00 -2.02 0.00 0.00 58.31 57.43 2ksq n LYS 127 Cb 0.55 -5.29 0.59 0.00 -0.02 0.00 0.00 35.03 30.85 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 5.75 -1.60 -1.48 115.11 119.75 2ksq h GLN 128 Ca -0.37 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.13 2ksq h GLN 128 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 2ksq h GLN 128 CO 0.50 0.11 0.00 0.38 -2.65 0.00 0.00 178.83 177.17 2ksq h ASP 129 N 0.00 0.00 -3.49 -0.69 3.04 -1.90 -3.41 116.42 109.98 2ksq h ASP 129 Ca -0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 2ksq h ASP 129 Cb 0.21 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 38.54 2ksq h ASP 129 CO 0.01 0.00 0.67 -0.22 -2.04 0.00 0.00 179.24 177.66 2ksq s LEU 130 N -5.37 4.42 0.56 0.15 2.96 -0.56 -4.89 118.68 115.94 2ksq s LEU 130 Ca 0.00 2.51 0.33 0.00 -0.22 0.00 0.00 54.13 56.75 2ksq s LEU 130 Cb 0.09 -3.62 1.48 0.00 0.50 0.00 0.00 46.19 44.64 2ksq s LEU 130 CO 0.41 -0.55 1.83 -0.65 -1.32 0.00 0.00 176.35 176.06 2ksq h PRO 131 N 4.88 0.00 -0.77 0.98 0.11 -1.89 0.39 132.00 135.71 2ksq h PRO 131 Ca -0.46 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.36 2ksq h PRO 131 Cb 1.22 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.15 2ksq h PRO 131 CO 0.75 0.00 0.35 0.39 -0.21 0.00 0.00 178.00 179.28 2ksq n GLU 132 N -4.05 3.14 -1.88 1.05 1.02 -1.26 -4.99 120.64 113.67 2ksq n GLU 132 Ca 0.19 -3.07 -0.42 0.00 -0.02 0.00 0.00 57.16 53.84 2ksq n GLU 132 Cb 1.03 -2.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ksq s ALA 133 N -3.10 3.82 0.73 0.62 0.00 0.14 -4.65 121.76 119.31 2ksq s ALA 133 Ca 0.55 1.44 -0.14 0.00 0.00 0.00 0.00 51.96 53.81 2ksq s ALA 133 Cb 0.45 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.96 2ksq s ALA 133 CO 0.12 -0.82 1.13 -1.64 0.00 0.00 0.00 175.76 174.55 2ksq s MET 134 N 1.07 2.34 0.58 0.00 -1.94 -1.25 -5.00 119.30 115.10 2ksq s MET 134 Ca 0.71 1.45 -0.10 0.00 -1.71 0.00 0.00 55.69 56.03 2ksq s MET 134 Cb -0.45 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 2ksq s MET 134 CO 0.32 -1.62 0.98 -1.12 -0.01 0.00 0.00 175.02 173.57 2ksq s SER 135 N -2.63 6.27 0.39 3.03 0.01 -1.26 -4.97 113.70 114.53 2ksq s SER 135 Ca 0.67 1.33 0.13 0.00 1.31 0.00 0.00 55.95 59.40 2ksq s SER 135 Cb -0.22 -2.43 0.78 0.00 0.21 0.00 0.00 66.02 64.37 2ksq s SER 135 CO 0.47 -0.79 1.86 0.00 0.41 0.00 0.00 173.24 175.19 2ksq h ALA 136 N -0.11 1.43 -0.24 1.44 0.00 -1.99 -2.82 119.26 116.98 2ksq h ALA 136 Ca -0.45 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.04 2ksq h ALA 136 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2ksq h ALA 136 CO 0.62 0.42 -0.36 0.00 0.00 0.00 0.00 179.25 179.93 2ksq h ALA 137 N 1.67 0.93 0.00 0.00 0.00 -1.99 -2.36 119.26 117.50 2ksq h ALA 137 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2ksq h ALA 137 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ksq h ALA 137 CO 0.04 0.62 -0.08 0.93 0.00 0.00 0.00 179.25 180.77 2ksq h GLU 138 N 0.45 0.05 -0.72 0.00 4.39 -1.91 -2.10 114.58 114.74 2ksq h GLU 138 Ca 0.05 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.73 2ksq h GLU 138 Cb 0.84 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.45 2ksq h GLU 138 CO 0.07 0.86 0.44 0.82 -1.16 0.00 0.00 179.01 180.04 2ksq h ILE 139 N -0.74 1.07 -0.20 3.13 2.04 -1.57 -1.37 117.51 119.87 2ksq h ILE 139 Ca -0.01 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 2ksq h ILE 139 Cb 0.88 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2ksq h ILE 139 CO 0.01 0.16 -0.12 0.00 0.00 0.00 0.00 178.15 178.20 2ksq h THR 140 N 0.85 1.31 0.44 -0.27 1.03 -1.53 -2.70 112.91 112.05 2ksq h THR 140 Ca 0.30 -1.22 -0.01 0.00 -0.01 0.00 0.00 66.41 65.46 2ksq h THR 140 Cb 0.06 1.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 2ksq h THR 140 CO -0.13 0.37 -0.28 -0.08 -0.01 0.00 0.00 175.52 175.39 2ksq h GLU 141 N 0.13 -0.66 -0.35 0.00 4.81 -1.09 -2.29 114.58 115.13 2ksq h GLU 141 Ca 0.04 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2ksq h GLU 141 Cb 0.63 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2ksq h GLU 141 CO 0.04 -0.44 0.24 0.87 -0.73 0.00 0.00 179.01 178.98 2ksq h LYS 142 N -0.69 0.17 0.00 1.92 6.56 -1.34 0.14 116.57 123.33 2ksq h LYS 142 Ca -0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 2ksq h LYS 142 Cb 0.57 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 2ksq h LYS 142 CO 0.04 0.11 0.00 1.28 -2.06 0.00 0.00 179.45 178.83 2ksq n LEU 143 N -4.47 0.00 -2.25 2.94 7.99 -0.99 -4.87 117.00 115.35 2ksq n LEU 143 Ca 0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 55.86 2ksq n LEU 143 Cb 0.30 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.58 2ksq n LEU 143 CO 0.35 0.00 -0.23 0.61 -1.51 0.00 0.00 177.39 176.61 2ksq n GLY 144 N 0.84 -0.08 0.31 -0.72 0.00 0.49 -4.86 105.19 101.18 2ksq n GLY 144 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 2ksq n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksq h LEU 145 N 0.00 0.98 -2.13 0.99 3.38 -1.62 -2.73 115.31 114.17 2ksq h LEU 145 Ca -0.43 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.35 2ksq h LEU 145 Cb 1.30 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2ksq h LEU 145 CO 0.52 0.97 0.09 0.45 0.09 0.00 0.00 178.44 180.56 2ksq h HIS 146 N 0.97 0.00 -0.14 1.13 3.86 -1.89 0.70 115.15 119.77 2ksq h HIS 146 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2ksq h HIS 146 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2ksq h HIS 146 CO 0.03 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.25 2ksq n SER 147 N -4.26 1.54 -4.36 2.45 7.64 -1.03 -4.76 113.62 110.84 2ksq n SER 147 Ca -0.00 -1.67 -0.41 0.00 1.01 0.00 0.00 58.87 57.80 2ksq n SER 147 Cb 0.20 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.21 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ksq s ILE 148 N -1.82 4.64 -0.13 0.44 1.01 0.24 -4.89 121.20 120.68 2ksq s ILE 148 Ca 0.33 -0.99 0.17 0.00 0.00 0.00 0.00 60.65 60.15 2ksq s ILE 148 Cb 0.17 -3.67 0.43 0.00 0.01 0.00 0.00 42.46 39.41 2ksq s ILE 148 CO 0.27 -0.35 1.19 -1.14 0.00 0.00 0.00 174.94 174.91 2ksq n ARG 149 N 5.02 1.08 0.00 2.79 0.63 -1.26 -4.71 116.66 120.21 2ksq n ARG 149 Ca -0.11 -2.85 0.00 0.00 -0.92 0.00 0.00 57.85 53.97 2ksq n ARG 149 Cb 0.45 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.34 2ksq n ARG 149 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2ksq n ASN 150 N -0.44 0.86 -3.74 6.15 6.94 -1.26 -5.03 115.26 118.73 2ksq n ASN 150 Ca 0.15 -0.93 -0.13 0.00 -0.02 0.00 0.00 54.58 53.65 2ksq n ASN 150 Cb 0.89 0.14 -0.11 0.00 -2.36 0.00 0.00 39.78 38.34 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2ksq s ARG 151 N -0.14 0.41 -0.52 -3.83 3.00 -1.26 -5.11 118.95 111.51 2ksq s ARG 151 Ca 0.00 0.54 -0.27 0.00 -1.00 0.00 0.00 55.73 55.00 2ksq s ARG 151 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 34.95 35.08 2ksq s ARG 151 CO 0.00 -0.07 2.03 -1.25 0.00 0.00 0.00 175.30 176.01 2ksq s PRO 152 N 0.37 2.60 0.03 5.12 0.04 -1.26 -4.96 135.00 136.94 2ksq s PRO 152 Ca -0.01 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.11 2ksq s PRO 152 Cb -0.03 -4.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.07 2ksq s PRO 152 CO -0.01 -2.74 -0.18 1.67 0.04 0.00 0.00 177.00 175.78 2ksq s TRP 153 N 9.64 1.55 0.02 0.56 1.48 -1.26 -2.28 118.94 128.65 2ksq s TRP 153 Ca 0.79 -0.35 0.00 0.00 -1.06 0.00 0.00 56.10 55.49 2ksq s TRP 153 Cb -0.16 -0.94 -0.02 0.00 -1.16 0.00 0.00 33.47 31.19 2ksq s TRP 153 CO 0.25 0.05 -0.03 -0.06 -4.06 0.00 0.00 176.95 173.10 2ksq s PHE 154 N -0.73 0.23 -0.17 1.66 0.08 -1.09 -5.00 117.98 112.95 2ksq s PHE 154 Ca 0.05 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2ksq s PHE 154 Cb -0.08 -0.16 0.01 0.00 -0.57 0.00 0.00 43.02 42.22 2ksq s PHE 154 CO 0.01 -0.14 -0.16 -1.50 -0.10 0.00 0.00 175.22 173.33 2ksq s ILE 155 N -1.10 2.44 -0.02 0.64 2.07 -1.26 0.57 121.20 124.54 2ksq s ILE 155 Ca -0.12 -0.83 0.03 0.00 -1.41 0.00 0.00 60.65 58.32 2ksq s ILE 155 Cb -0.08 -2.04 -0.00 0.00 0.13 0.00 0.00 42.46 40.47 2ksq s ILE 155 CO -0.01 0.51 -0.09 -1.10 -1.91 0.00 0.00 174.94 172.35 2ksq s GLN 156 N 1.13 0.87 -0.12 3.50 -1.52 -0.66 -5.01 119.66 117.84 2ksq s GLN 156 Ca 0.01 -0.31 -0.29 0.00 -1.95 0.00 0.00 55.36 52.81 2ksq s GLN 156 Cb -0.14 -0.82 -0.01 0.00 -0.22 0.00 0.00 33.01 31.81 2ksq s GLN 156 CO -0.06 0.14 1.10 0.00 -0.25 0.00 0.00 175.29 176.22 2ksq s ALA 157 N 0.04 3.52 0.06 6.09 0.00 -1.26 -1.52 121.76 128.69 2ksq s ALA 157 Ca -0.00 0.41 0.05 0.00 0.00 0.00 0.00 51.96 52.42 2ksq s ALA 157 Cb -0.07 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2ksq s ALA 157 CO 0.00 -0.81 -0.14 -0.08 0.00 0.00 0.00 175.76 174.73 2ksq s THR 158 N 2.50 1.09 -0.31 0.00 -1.32 -1.11 -4.81 115.64 111.68 2ksq s THR 158 Ca 0.50 -1.22 0.01 0.00 -1.21 0.00 0.00 61.69 59.78 2ksq s THR 158 Cb -0.20 -1.04 0.09 0.00 -1.51 0.00 0.00 72.50 69.85 2ksq s THR 158 CO 0.16 -0.17 0.05 0.00 -2.21 0.00 0.00 174.62 172.45 2ksq h ALA 160 N 7.88 0.67 -0.91 0.00 0.00 -1.93 0.89 119.26 125.85 2ksq h ALA 160 Ca -0.11 -0.62 0.19 0.00 0.00 0.00 0.00 54.91 54.37 2ksq h ALA 160 Cb 1.03 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2ksq h ALA 160 CO 0.48 0.80 0.59 1.79 0.00 0.00 0.00 179.25 182.92 2ksq h THR 161 N 0.17 0.71 0.00 0.00 1.35 -1.95 -3.11 112.91 110.08 2ksq h THR 161 Ca -0.03 -0.17 -0.26 0.00 -0.55 0.00 0.00 66.41 65.40 2ksq h THR 161 Cb 1.30 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.83 2ksq h THR 161 CO 0.12 0.09 -1.95 -1.54 -0.25 0.00 0.00 175.52 171.98 2ksq n SER 162 N -4.55 2.36 0.00 5.36 3.41 -1.19 -4.77 113.62 114.24 2ksq n SER 162 Ca 0.19 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2ksq n SER 162 Cb 0.64 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2ksq n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ksq n GLY 163 N 2.51 0.93 3.76 5.00 0.00 0.31 -4.92 105.19 112.77 2ksq n GLY 163 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2ksq n GLY 163 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksq s GLU 164 N -0.65 4.42 0.00 1.61 -1.05 -1.11 -2.86 118.70 119.07 2ksq s GLU 164 Ca 0.00 2.09 0.00 0.00 -0.15 0.00 0.00 54.97 56.91 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 30.56 2ksq s GLU 164 CO 0.00 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.50 2ksq n GLY 165 N 1.34 2.83 0.29 -3.83 0.00 -1.26 -3.10 105.19 101.46 2ksq n GLY 165 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2ksq n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksq h LEU 166 N 0.00 1.00 -0.48 0.99 4.07 -1.86 -2.86 115.31 116.17 2ksq h LEU 166 Ca 0.00 -0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.61 2ksq h LEU 166 Cb 0.00 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 2ksq h LEU 166 CO 0.00 1.06 0.13 0.10 -1.08 0.00 0.00 178.44 178.65 2ksq h TYR 167 N 0.92 0.80 -0.86 1.13 -0.00 -1.90 -2.82 116.97 114.24 2ksq h TYR 167 Ca 0.17 -0.09 0.06 0.00 -0.00 0.00 0.00 58.73 58.87 2ksq h TYR 167 Cb 0.54 -0.23 -0.05 0.00 -0.00 0.00 0.00 36.73 36.99 2ksq h TYR 167 CO 0.04 0.71 0.56 0.93 -0.00 0.00 0.00 178.16 180.40 2ksq h GLU 168 N 0.65 0.96 -0.50 0.10 5.08 -1.93 -2.51 114.58 116.43 2ksq h GLU 168 Ca 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2ksq h GLU 168 Cb 0.30 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2ksq h GLU 168 CO -0.00 0.63 0.24 0.78 -1.00 0.00 0.00 179.01 179.66 2ksq h GLY 169 N 0.98 0.77 2.00 -3.84 0.00 -1.27 -2.06 103.07 99.66 2ksq h GLY 169 Ca 0.36 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2ksq h GLY 169 CO -0.13 0.37 -0.21 -2.00 0.00 0.00 0.00 176.54 174.57 2ksq h LEU 170 N 0.67 0.00 -0.24 3.11 5.85 -1.36 -2.65 115.31 120.69 2ksq h LEU 170 Ca 0.17 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.68 2ksq h LEU 170 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2ksq h LEU 170 CO -0.02 0.21 -0.87 -0.33 -0.34 0.00 0.00 178.44 177.09 2ksq h GLU 171 N 0.00 0.43 -0.26 1.25 3.07 -1.12 -2.96 114.58 115.00 2ksq h GLU 171 Ca -0.00 -0.42 -0.03 0.00 -0.50 0.00 0.00 59.36 58.41 2ksq h GLU 171 Cb 0.42 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2ksq h GLU 171 CO 0.03 1.07 0.06 -1.49 -1.40 0.00 0.00 179.01 177.28 2ksq h TRP 172 N 0.26 0.44 0.41 4.33 -0.00 -1.03 -2.72 115.95 117.64 2ksq h TRP 172 Ca -0.06 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.75 2ksq h TRP 172 Cb 1.48 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 30.53 2ksq h TRP 172 CO 0.06 0.51 -0.20 1.25 -0.00 0.00 0.00 178.44 180.05 2ksq h LEU 173 N 0.24 -0.47 -1.84 -4.49 5.85 -1.58 -2.63 115.31 110.40 2ksq h LEU 173 Ca 0.08 0.00 0.23 0.00 0.84 0.00 0.00 57.88 59.03 2ksq h LEU 173 Cb 0.29 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2ksq h LEU 173 CO 0.00 -0.32 0.59 0.77 -0.34 0.00 0.00 178.44 179.15 2ksq h SER 174 N -0.58 0.13 0.46 1.25 4.64 -1.52 0.47 113.55 118.40 2ksq h SER 174 Ca -0.06 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 2ksq h SER 174 Cb 0.44 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2ksq h SER 174 CO 0.09 0.05 -0.74 0.78 -0.87 0.00 0.00 176.83 176.14 2ksq h ASN 175 N 0.13 0.28 0.40 4.97 4.21 -1.14 -2.42 115.58 122.02 2ksq h ASN 175 Ca 0.42 -0.19 -0.07 0.00 1.21 0.00 0.00 56.30 57.66 2ksq h ASN 175 Cb 1.43 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 38.54 2ksq h ASN 175 CO -0.06 0.92 -0.34 0.00 -1.29 0.00 0.00 177.43 176.66 2ksq n LEU 177 N -4.01 1.81 -0.29 0.00 4.77 -1.17 -4.50 117.00 113.60 2ksq n LEU 177 Ca -0.02 0.48 -0.02 0.00 -0.03 0.00 0.00 56.01 56.42 2ksq n LEU 177 Cb 0.39 -0.80 0.14 0.00 -2.33 0.00 0.00 43.42 40.82 2ksq n LEU 177 CO 0.38 -0.38 1.19 0.50 -1.33 0.00 0.00 177.39 177.74 2ksq h LYS 178 N -0.97 1.17 -6.98 3.23 3.64 -1.58 -3.46 116.57 111.62 2ksq h LYS 178 Ca 0.00 -0.12 -0.54 0.00 -1.27 0.00 0.00 60.65 58.72 2ksq h LYS 178 Cb 0.71 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 2ksq h LYS 178 CO 0.00 0.84 -0.89 -1.71 -2.27 0.00 0.00 179.45 175.42 2ksq n ASN 179 N -4.35 -2.40 -3.72 4.20 5.15 -0.17 -4.94 115.26 109.02 2ksq n ASN 179 Ca 0.09 -1.16 -0.23 0.00 -0.60 0.00 0.00 54.58 52.69 2ksq n ASN 179 Cb 0.08 -1.40 -0.08 0.00 -0.53 0.00 0.00 39.78 37.86 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2ksq s SER 180 N -3.84 2.30 0.00 1.20 0.01 -1.26 -5.10 113.70 107.01 2ksq s SER 180 Ca 0.32 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2ksq s SER 180 Cb -0.18 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2ksq s SER 180 CO 0.87 -1.02 0.20 0.35 0.41 0.00 0.00 173.24 174.06