#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 0.21 -0.34 0.99 8.10 -2.05 -2.72 115.31 119.50 2ksq h LEU 3 Ca 0.00 -0.47 -0.08 0.00 0.11 0.00 0.00 57.88 57.43 2ksq h LEU 3 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.15 2ksq h LEU 3 CO 0.00 0.64 -0.11 0.15 -4.11 0.00 0.00 178.44 175.01 2ksq h PHE 4 N -0.21 0.76 0.29 0.17 3.57 -2.05 -2.83 116.94 116.62 2ksq h PHE 4 Ca 0.01 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.35 2ksq h PHE 4 Cb 0.58 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 2ksq h PHE 4 CO 0.09 0.85 -0.44 0.00 -2.23 0.00 0.00 178.31 176.57 2ksq h ALA 5 N 0.80 -0.89 -0.85 2.41 0.00 -2.00 -0.50 119.26 118.22 2ksq h ALA 5 Ca 0.08 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2ksq h ALA 5 Cb 0.62 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 2ksq h ALA 5 CO 0.04 -1.05 0.46 0.77 0.00 0.00 0.00 179.25 179.47 2ksq h SER 6 N -0.79 0.61 0.05 0.00 0.02 -1.54 -1.83 113.55 110.07 2ksq h SER 6 Ca -0.02 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ksq h SER 6 Cb 0.74 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2ksq h SER 6 CO -0.15 0.29 -0.02 0.50 -1.14 0.00 0.00 176.83 176.30 2ksq h LYS 7 N 0.70 -0.06 -0.43 3.45 3.64 -1.19 -1.83 116.57 120.85 2ksq h LYS 7 Ca 0.45 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.96 2ksq h LYS 7 Cb 0.56 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2ksq h LYS 7 CO -0.32 0.05 0.35 -0.07 -2.27 0.00 0.00 179.45 177.19 2ksq h LEU 8 N -0.16 0.00 -0.24 5.20 4.07 -0.37 0.22 115.31 124.04 2ksq h LEU 8 Ca -0.01 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 2ksq h LEU 8 Cb 0.14 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 2ksq h LEU 8 CO 0.01 0.00 -0.89 0.15 -1.08 0.00 0.00 178.44 176.63 2ksq h PHE 9 N 0.00 0.08 -0.06 1.13 3.57 -0.73 -3.21 116.94 117.71 2ksq h PHE 9 Ca 0.20 -0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.47 2ksq h PHE 9 Cb 0.90 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 2ksq h PHE 9 CO 0.00 0.91 -0.77 0.77 -2.23 0.00 0.00 178.31 177.00 2ksq h SER 10 N 0.02 0.47 1.25 0.41 0.02 0.21 -2.07 113.55 113.87 2ksq h SER 10 Ca -0.02 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 2ksq h SER 10 Cb 1.56 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 2ksq h SER 10 CO 0.12 1.07 -0.17 -0.55 -1.14 0.00 0.00 176.83 176.16 2ksq h ASN 11 N 0.26 0.00 0.21 3.07 7.08 -1.44 0.26 115.58 125.02 2ksq h ASN 11 Ca -0.04 0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 52.83 2ksq h ASN 11 Cb 1.35 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.56 2ksq h ASN 11 CO 0.13 0.17 -1.96 0.00 -2.08 0.00 0.00 177.43 173.69 2ksq n LEU 12 N -3.24 2.13 -0.47 6.14 -0.00 -1.20 -4.07 117.00 116.29 2ksq n LEU 12 Ca 0.01 0.24 0.05 0.00 -0.00 0.00 0.00 56.01 56.31 2ksq n LEU 12 Cb 0.47 -0.73 0.14 0.00 -0.00 0.00 0.00 43.42 43.30 2ksq n LEU 12 CO 0.33 0.73 0.62 0.49 -0.00 0.00 0.00 177.39 179.56 2ksq n PHE 13 N -3.34 0.33 -3.61 1.47 3.01 -0.78 -4.91 117.46 109.63 2ksq n PHE 13 Ca -0.29 -0.17 -0.23 0.00 1.01 0.00 0.00 57.45 57.78 2ksq n PHE 13 Cb 1.05 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.59 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 0.93 -0.47 0.00 1.37 0.00 -1.03 -4.98 105.19 101.01 2ksq n GLY 14 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2ksq n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ksq n ASN 15 N -3.02 -1.05 -1.62 1.61 5.03 0.88 -4.14 115.26 112.95 2ksq n ASN 15 Ca -0.09 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.17 2ksq n ASN 15 Cb 0.59 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.29 2ksq n ASN 15 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 2ksq n LYS 16 N -1.05 -1.38 -4.12 3.52 4.81 -1.26 -4.95 118.16 113.74 2ksq n LYS 16 Ca 0.00 1.12 -0.10 0.00 -0.87 0.00 0.00 58.31 58.47 2ksq n LYS 16 Cb 0.00 -5.49 -0.10 0.00 0.02 0.00 0.00 35.03 29.46 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2ksq s GLU 17 N -3.90 0.69 0.02 1.64 4.04 -1.26 -1.71 118.70 118.22 2ksq s GLU 17 Ca 0.00 -1.17 0.03 0.00 0.04 0.00 0.00 54.97 53.87 2ksq s GLU 17 Cb 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 34.13 34.04 2ksq s GLU 17 CO 0.00 -0.03 -0.10 -1.64 -1.84 0.00 0.00 175.26 171.65 2ksq s MET 18 N -3.34 0.68 -0.19 -4.83 -1.94 -1.11 -4.94 119.30 103.63 2ksq s MET 18 Ca 0.05 -0.54 -0.08 0.00 -1.71 0.00 0.00 55.69 53.42 2ksq s MET 18 Cb 0.03 -0.62 -0.04 0.00 2.01 0.00 0.00 34.83 36.20 2ksq s MET 18 CO -0.05 0.15 0.07 0.50 -0.01 0.00 0.00 175.02 175.69 2ksq s ARG 19 N -0.81 3.96 0.06 2.03 3.52 -1.26 0.35 118.95 126.79 2ksq s ARG 19 Ca -0.01 -0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2ksq s ARG 19 Cb -0.06 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 2ksq s ARG 19 CO 0.00 0.21 -0.15 0.42 -0.81 0.00 0.00 175.30 174.97 2ksq s ILE 20 N 0.56 1.21 -0.00 4.11 1.09 0.18 0.13 121.20 128.48 2ksq s ILE 20 Ca 0.04 -1.18 0.07 0.00 -1.10 0.00 0.00 60.65 58.48 2ksq s ILE 20 Cb -0.13 -1.12 -0.02 0.00 -1.06 0.00 0.00 42.46 40.14 2ksq s ILE 20 CO 0.01 -0.07 -0.21 -0.22 -0.10 0.00 0.00 174.94 174.35 2ksq s LEU 21 N -1.43 2.07 -0.26 2.97 1.98 -1.05 -0.44 118.68 122.51 2ksq s LEU 21 Ca 0.01 -0.42 -0.07 0.00 -2.89 0.00 0.00 54.13 50.77 2ksq s LEU 21 Cb -0.09 -1.09 -0.02 0.00 0.66 0.00 0.00 46.19 45.65 2ksq s LEU 21 CO 0.02 0.25 0.07 -0.32 -1.89 0.00 0.00 176.35 174.48 2ksq s MET 22 N -0.63 3.50 -0.05 1.98 1.75 0.27 0.33 119.30 126.44 2ksq s MET 22 Ca 0.08 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.96 2ksq s MET 22 Cb -0.08 -3.33 0.01 0.00 2.84 0.00 0.00 34.83 34.26 2ksq s MET 22 CO -0.00 -0.26 -0.10 0.08 -0.65 0.00 0.00 175.02 174.08 2ksq s VAL 23 N 1.58 0.97 0.26 10.11 1.01 -1.11 -2.72 120.40 130.50 2ksq s VAL 23 Ca 0.05 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 2ksq s VAL 23 Cb -0.16 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.38 2ksq s VAL 23 CO 0.03 0.31 0.82 -0.83 0.00 0.00 0.00 175.10 175.43 2ksq s GLY 24 N 0.54 -0.04 0.00 4.51 0.00 -1.26 -2.36 107.32 108.71 2ksq s GLY 24 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2ksq s GLY 24 CO 0.02 0.07 0.00 -0.10 0.00 0.00 0.00 173.10 173.09 2ksq n LEU 25 N -0.49 0.00 -0.80 0.66 7.94 -1.26 -4.01 117.00 119.04 2ksq n LEU 25 Ca -0.05 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.87 2ksq n LEU 25 Cb 0.60 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.65 2ksq n LEU 25 CO 0.17 -0.68 0.43 -0.90 -1.11 0.00 0.00 177.39 175.30 2ksq n ASP 26 N -0.52 2.07 0.00 1.96 5.68 -1.26 -3.78 116.55 120.70 2ksq n ASP 26 Ca 0.00 -2.21 0.00 0.00 -0.50 0.00 0.00 54.79 52.08 2ksq n ASP 26 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 2ksq n ASP 26 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ksq n GLY 27 N 0.24 0.00 0.10 6.12 0.00 -1.26 -4.85 105.19 105.54 2ksq n GLY 27 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.14 0.00 4.61 0.00 -1.84 -3.48 119.26 118.41 2ksq h ALA 28 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 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 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.23 2ksq n GLY 29 N -0.36 1.19 0.33 0.00 0.00 -1.26 -4.69 105.19 100.40 2ksq n GLY 29 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 2ksq n GLY 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2ksq h LYS 30 N 0.00 1.00 -0.35 1.61 2.10 -1.93 -1.74 116.57 117.27 2ksq h LYS 30 Ca 0.00 -0.17 -0.13 0.00 -2.00 0.00 0.00 60.65 58.34 2ksq h LYS 30 Cb 0.00 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.15 2ksq h LYS 30 CO 0.00 0.82 -0.32 1.15 -2.00 0.00 0.00 179.45 179.10 2ksq h THR 31 N 0.98 1.28 -0.38 0.07 2.02 -1.96 -2.18 112.91 112.75 2ksq h THR 31 Ca 0.23 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.85 2ksq h THR 31 Cb 0.20 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2ksq h THR 31 CO -0.02 0.48 -0.10 0.74 0.37 0.00 0.00 175.52 176.99 2ksq h THR 32 N 0.64 1.28 0.10 3.16 2.02 -1.84 -2.71 112.91 115.56 2ksq h THR 32 Ca 0.07 -1.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2ksq h THR 32 Cb 0.85 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2ksq h THR 32 CO 0.07 0.39 -0.05 0.58 0.37 0.00 0.00 175.52 176.89 2ksq h VAL 33 N 0.54 1.10 -0.83 3.16 2.07 -1.31 -2.11 116.25 118.86 2ksq h VAL 33 Ca 0.09 -0.81 0.12 0.00 0.82 0.00 0.00 66.70 66.93 2ksq h VAL 33 Cb 0.62 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 2ksq h VAL 33 CO 0.04 0.19 0.54 0.25 0.02 0.00 0.00 177.57 178.61 2ksq h LEU 34 N -0.51 0.64 -0.21 2.57 7.12 -1.46 -1.30 115.31 122.16 2ksq h LEU 34 Ca -0.01 0.03 -0.21 0.00 0.13 0.00 0.00 57.88 57.81 2ksq h LEU 34 Cb 0.42 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.44 2ksq h LEU 34 CO 0.02 0.36 -0.93 1.88 -0.13 0.00 0.00 178.44 179.64 2ksq h TYR 35 N 0.70 0.37 -0.16 1.25 0.05 -1.46 -1.91 116.97 115.80 2ksq h TYR 35 Ca 0.40 -0.21 -0.04 0.00 0.05 0.00 0.00 58.73 58.93 2ksq h TYR 35 Cb 0.59 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.28 2ksq h TYR 35 CO -0.00 1.04 -0.05 -0.22 -1.05 0.00 0.00 178.16 177.88 2ksq h LYS 36 N 0.13 0.32 0.00 4.88 3.11 -0.56 0.82 116.57 125.27 2ksq h LYS 36 Ca -0.06 -0.13 -0.12 0.00 -2.81 0.00 0.00 60.65 57.54 2ksq h LYS 36 Cb 1.57 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.77 2ksq h LYS 36 CO 0.15 0.61 -0.55 1.25 -2.81 0.00 0.00 179.45 178.09 2ksq h LEU 37 N 0.01 0.00 0.16 5.20 6.46 -1.40 0.92 115.31 126.66 2ksq h LEU 37 Ca 0.04 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.48 2ksq h LEU 37 Cb 0.50 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2ksq h LEU 37 CO 0.02 0.55 -1.61 0.50 -0.62 0.00 0.00 178.44 177.28 2ksq h LYS 38 N 0.00 0.34 0.00 1.25 3.11 -1.26 -3.39 116.57 116.61 2ksq h LYS 38 Ca -0.01 -0.58 0.00 0.00 -2.81 0.00 0.00 60.65 57.26 2ksq h LYS 38 Cb 1.14 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.58 2ksq h LYS 38 CO 0.07 1.28 -1.33 -0.11 -2.81 0.00 0.00 179.45 176.55 2ksq n LEU 39 N -3.73 0.36 0.00 5.20 7.94 0.28 -4.99 117.00 122.06 2ksq n LEU 39 Ca -0.25 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.42 2ksq n LEU 39 Cb 1.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.96 2ksq n LEU 39 CO 0.47 0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.45 2ksq n GLY 40 N 1.47 1.28 3.02 -3.96 0.00 0.32 -4.99 105.19 102.32 2ksq n GLY 40 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.06 0.58 -0.01 1.61 2.02 -1.25 -4.97 118.70 116.63 2ksq s GLU 41 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 2ksq s GLU 41 Cb 0.00 -0.51 -0.03 0.00 0.10 0.00 0.00 34.13 33.69 2ksq s GLU 41 CO 0.00 0.13 1.01 0.08 0.02 0.00 0.00 175.26 176.50 2ksq s VAL 42 N -0.57 4.77 0.43 2.63 1.01 -1.26 -4.18 120.40 123.23 2ksq s VAL 42 Ca -0.01 2.00 0.03 0.00 0.00 0.00 0.00 61.98 64.00 2ksq s VAL 42 Cb -0.05 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2ksq s VAL 42 CO 0.00 0.13 0.05 0.27 0.00 0.00 0.00 175.10 175.55 2ksq s ILE 43 N 1.21 1.11 -0.22 2.22 -5.25 -1.26 -5.10 121.20 113.90 2ksq s ILE 43 Ca 0.52 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.89 2ksq s ILE 43 Cb -0.21 -2.46 -0.00 0.00 2.95 0.00 0.00 42.46 42.74 2ksq s ILE 43 CO 0.26 0.00 1.23 0.42 -1.79 0.00 0.00 174.94 175.06 2ksq s THR 44 N -3.03 4.32 -0.11 8.37 -4.23 -1.26 -4.95 115.64 114.74 2ksq s THR 44 Ca 0.21 1.56 -0.03 0.00 -1.18 0.00 0.00 61.69 62.25 2ksq s THR 44 Cb 0.04 -4.12 -0.03 0.00 1.34 0.00 0.00 72.50 69.73 2ksq s THR 44 CO 0.11 -0.26 -0.00 0.42 -0.54 0.00 0.00 174.62 174.35 2ksq s THR 45 N 3.71 4.27 0.33 3.99 -4.23 -1.26 -5.09 115.64 117.36 2ksq s THR 45 Ca 0.53 -0.25 0.10 0.00 -1.18 0.00 0.00 61.69 60.89 2ksq s THR 45 Cb -0.19 -2.83 -0.06 0.00 1.34 0.00 0.00 72.50 70.77 2ksq s THR 45 CO 0.16 0.56 -0.05 0.27 -0.54 0.00 0.00 174.62 175.02 2ksq s ILE 46 N -0.44 2.55 -0.10 2.99 -4.36 -1.26 -5.07 121.20 115.51 2ksq s ILE 46 Ca 0.08 -2.09 -0.31 0.00 -0.26 0.00 0.00 60.65 58.06 2ksq s ILE 46 Cb -0.12 -2.69 -0.09 0.00 1.25 0.00 0.00 42.46 40.80 2ksq s ILE 46 CO 0.02 -0.24 2.03 -2.65 0.24 0.00 0.00 174.94 174.34 2ksq n PRO 47 N -0.86 2.26 -2.77 0.37 -0.02 -1.26 -4.93 135.00 127.79 2ksq n PRO 47 Ca -0.05 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 2ksq n PRO 47 Cb 0.62 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 2ksq n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ksq s THR 48 N 5.55 4.72 -0.58 3.45 -4.23 -1.26 -4.93 115.64 118.36 2ksq s THR 48 Ca 0.95 1.72 -0.02 0.00 -1.18 0.00 0.00 61.69 63.17 2ksq s THR 48 Cb -0.53 -4.24 0.40 0.00 1.34 0.00 0.00 72.50 69.47 2ksq s THR 48 CO 0.44 -0.20 2.03 -0.38 -0.54 0.00 0.00 174.62 175.97 2ksq n ILE 49 N 5.41 3.42 0.00 2.99 2.08 -1.26 -4.20 119.36 127.80 2ksq n ILE 49 Ca 0.09 -2.60 0.00 0.00 0.56 0.00 0.00 62.75 60.80 2ksq n ILE 49 Cb 0.47 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.18 2ksq n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2ksq n GLY 50 N -0.64 0.35 3.09 7.39 0.00 -1.26 -5.01 105.19 109.10 2ksq n GLY 50 Ca 0.55 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.83 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 2.06 0.61 -0.15 1.61 -0.71 -1.26 -0.19 117.98 119.94 2ksq s PHE 51 Ca 0.00 -0.82 -0.04 0.00 -1.04 0.00 0.00 56.93 55.03 2ksq s PHE 51 Cb 0.00 -0.39 0.07 0.00 -1.21 0.00 0.00 43.02 41.49 2ksq s PHE 51 CO 0.00 -0.22 0.17 1.21 -1.34 0.00 0.00 175.22 175.04 2ksq s ASN 52 N -2.44 1.39 0.33 1.98 3.84 -0.03 -4.95 114.94 115.07 2ksq s ASN 52 Ca 0.01 -0.13 -0.08 0.00 0.21 0.00 0.00 52.86 52.88 2ksq s ASN 52 Cb 0.01 0.20 -0.06 0.00 -0.55 0.00 0.00 41.25 40.84 2ksq s ASN 52 CO -0.05 -0.30 0.65 0.54 -2.79 0.00 0.00 177.10 175.14 2ksq s VAL 53 N 2.27 4.91 -0.11 -5.21 0.11 -1.26 -0.10 120.40 121.01 2ksq s VAL 53 Ca 0.04 0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 59.39 2ksq s VAL 53 Cb -0.15 -3.72 0.05 0.00 -1.53 0.00 0.00 36.38 31.04 2ksq s VAL 53 CO -0.09 -0.38 0.24 -1.61 -3.33 0.00 0.00 175.10 169.93 2ksq s GLU 54 N -3.60 0.16 -0.43 1.54 0.41 -0.67 -4.96 118.70 111.16 2ksq s GLU 54 Ca 0.47 0.62 -0.22 0.00 -0.41 0.00 0.00 54.97 55.43 2ksq s GLU 54 Cb -0.11 -0.10 0.02 0.00 -1.78 0.00 0.00 34.13 32.17 2ksq s GLU 54 CO 0.29 -0.22 0.70 0.00 -0.49 0.00 0.00 175.26 175.54 2ksq s VAL 56 N 3.00 1.90 -0.10 0.00 1.01 -1.00 -5.03 120.40 120.17 2ksq s VAL 56 Ca 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2ksq s VAL 56 Cb -0.13 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2ksq s VAL 56 CO 0.20 0.53 -0.11 -1.58 0.00 0.00 0.00 175.10 174.14 2ksq s GLN 57 N -0.20 3.11 -0.16 2.72 2.00 -1.26 -1.00 119.66 124.87 2ksq s GLN 57 Ca -0.01 -0.64 -0.29 0.00 -2.00 0.00 0.00 55.36 52.42 2ksq s GLN 57 Cb -0.12 -2.60 0.09 0.00 0.80 0.00 0.00 33.01 31.17 2ksq s GLN 57 CO 0.03 0.39 0.82 -0.47 -0.50 0.00 0.00 175.29 175.57 2ksq s TYR 58 N -0.11 -0.58 -1.28 1.67 6.14 0.18 -4.95 117.35 118.43 2ksq s TYR 58 Ca -0.01 1.16 -0.08 0.00 0.64 0.00 0.00 57.07 58.78 2ksq s TYR 58 Cb -0.14 0.39 0.06 0.00 0.42 0.00 0.00 41.96 42.69 2ksq s TYR 58 CO 0.03 -0.44 0.44 0.00 0.64 0.00 0.00 175.55 176.23 2ksq n ASN 60 N -2.25 0.00 -4.73 0.00 5.15 -1.26 -5.00 115.26 107.16 2ksq n ASN 60 Ca -0.04 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.71 2ksq n ASN 60 Cb 0.56 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.57 2ksq n ASN 60 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2ksq s ILE 61 N -3.40 3.54 -0.31 -1.44 -4.36 0.14 -4.98 121.20 110.38 2ksq s ILE 61 Ca 0.00 -1.68 0.01 0.00 -0.26 0.00 0.00 60.65 58.72 2ksq s ILE 61 Cb 0.00 -3.04 0.10 0.00 1.25 0.00 0.00 42.46 40.77 2ksq s ILE 61 CO 0.00 -0.29 0.06 -0.55 0.24 0.00 0.00 174.94 174.40 2ksq s SER 62 N -3.80 4.31 -0.01 4.36 0.15 -0.69 0.49 113.70 118.52 2ksq s SER 62 Ca 0.35 -1.80 -0.16 0.00 0.70 0.00 0.00 55.95 55.03 2ksq s SER 62 Cb -0.05 -1.21 -0.06 0.00 -1.71 0.00 0.00 66.02 62.99 2ksq s SER 62 CO 0.22 -0.38 0.44 0.72 1.20 0.00 0.00 173.24 175.44 2ksq s PHE 63 N 1.30 3.71 -0.36 3.44 -0.71 -0.17 -2.75 117.98 122.45 2ksq s PHE 63 Ca 0.09 1.02 -0.13 0.00 -1.04 0.00 0.00 56.93 56.87 2ksq s PHE 63 Cb -0.18 -2.35 0.00 0.00 -1.21 0.00 0.00 43.02 39.28 2ksq s PHE 63 CO -0.16 0.58 0.24 0.95 -1.34 0.00 0.00 175.22 175.48 2ksq s THR 64 N -0.87 5.05 -0.38 -4.49 -4.23 0.16 -2.36 115.64 108.52 2ksq s THR 64 Ca 0.25 -0.46 -0.09 0.00 -1.18 0.00 0.00 61.69 60.21 2ksq s THR 64 Cb -0.17 -3.68 0.05 0.00 1.34 0.00 0.00 72.50 70.04 2ksq s THR 64 CO 0.14 -0.11 0.19 -0.69 -0.54 0.00 0.00 174.62 173.61 2ksq s VAL 65 N 1.67 4.16 -0.21 2.29 1.01 -0.81 0.49 120.40 129.00 2ksq s VAL 65 Ca 0.05 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 2ksq s VAL 65 Cb -0.18 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2ksq s VAL 65 CO 0.09 -0.33 0.32 0.26 0.00 0.00 0.00 175.10 175.45 2ksq s TRP 66 N 1.45 3.36 -0.37 5.22 0.52 0.41 -1.67 118.94 127.87 2ksq s TRP 66 Ca 0.01 0.50 -0.06 0.00 0.02 0.00 0.00 56.10 56.58 2ksq s TRP 66 Cb -0.21 -2.44 0.07 0.00 -1.15 0.00 0.00 33.47 29.74 2ksq s TRP 66 CO 0.04 0.03 0.16 -0.51 0.02 0.00 0.00 176.95 176.68 2ksq s ASP 67 N 1.00 5.36 0.05 2.95 1.11 0.86 0.95 116.67 128.95 2ksq s ASP 67 Ca 0.16 -1.43 -0.10 0.00 0.18 0.00 0.00 52.55 51.36 2ksq s ASP 67 Cb -0.14 -1.88 -0.06 0.00 1.07 0.00 0.00 42.92 41.91 2ksq s ASP 67 CO 0.07 -0.42 0.37 -0.69 1.18 0.00 0.00 175.17 175.68 2ksq s VAL 68 N 1.35 5.13 0.16 -1.27 1.01 -1.10 -0.85 120.40 124.82 2ksq s VAL 68 Ca 0.01 0.46 -0.32 0.00 0.00 0.00 0.00 61.98 62.13 2ksq s VAL 68 Cb -0.21 -3.64 -0.17 0.00 0.00 0.00 0.00 36.38 32.36 2ksq s VAL 68 CO 0.01 0.35 0.94 0.61 0.00 0.00 0.00 175.10 177.01 2ksq n GLY 69 N 1.10 -0.57 0.13 4.51 0.00 0.73 -4.70 105.19 106.39 2ksq n GLY 69 Ca -0.10 0.51 0.12 0.00 0.00 0.00 0.00 46.02 46.55 2ksq n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ksq h GLY 70 N 2.47 0.00 -2.57 -0.02 0.00 -1.70 -3.39 103.07 97.85 2ksq h GLY 70 Ca -0.40 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.36 2ksq h GLY 70 CO 0.64 0.00 -0.08 -1.06 0.00 0.00 0.00 176.54 176.04 2ksq n GLN 71 N -2.62 0.59 -0.13 4.80 6.02 -1.25 -4.07 117.38 120.72 2ksq n GLN 71 Ca 0.02 0.24 -0.04 0.00 -0.01 0.00 0.00 57.00 57.22 2ksq n GLN 71 Cb 0.51 -2.03 0.03 0.00 1.02 0.00 0.00 30.24 29.77 2ksq n GLN 71 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2ksq h ASP 72 N 0.04 -0.25 -0.06 1.08 3.04 -1.92 0.36 116.42 118.72 2ksq h ASP 72 Ca -0.47 0.11 0.02 0.00 -3.24 0.00 0.00 57.03 53.44 2ksq h ASP 72 Cb 1.36 0.21 -0.00 0.00 -1.04 0.00 0.00 39.33 39.85 2ksq h ASP 72 CO 0.47 -0.08 0.15 -0.09 -2.04 0.00 0.00 179.24 177.65 2ksq h ARG 73 N 0.07 0.00 0.00 4.15 9.65 -1.97 0.13 114.38 126.41 2ksq h ARG 73 Ca 0.21 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.96 2ksq h ARG 73 Cb 0.31 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 2ksq h ARG 73 CO -0.38 0.00 -1.41 -0.89 2.80 0.00 0.00 179.97 180.09 2ksq n ILE 74 N -3.31 0.99 -0.38 1.20 2.08 0.11 -4.30 119.36 115.76 2ksq n ILE 74 Ca -0.01 -0.66 0.30 0.00 0.56 0.00 0.00 62.75 62.94 2ksq n ILE 74 Cb 0.23 -0.59 0.56 0.00 -0.75 0.00 0.00 39.64 39.09 2ksq n ILE 74 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2ksq h ARG 75 N 0.00 0.19 0.00 0.38 3.08 0.77 0.83 114.38 119.63 2ksq h ARG 75 Ca -0.14 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2ksq h ARG 75 Cb 1.45 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2ksq h ARG 75 CO 0.03 0.13 -0.32 0.66 -1.07 0.00 0.00 179.97 179.40 2ksq h SER 76 N 0.20 0.00 0.37 7.04 4.64 -1.75 -2.76 113.55 121.30 2ksq h SER 76 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 2ksq h SER 76 Cb 2.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.18 2ksq h SER 76 CO -0.51 0.32 0.00 -0.11 -0.87 0.00 0.00 176.83 175.66 2ksq n LEU 77 N -3.69 0.00 0.05 5.97 7.94 0.29 -3.12 117.00 124.44 2ksq n LEU 77 Ca -0.01 0.31 -0.09 0.00 -1.11 0.00 0.00 56.01 55.11 2ksq n LEU 77 Cb 0.42 -0.31 0.03 0.00 0.53 0.00 0.00 43.42 44.10 2ksq n LEU 77 CO 0.36 -0.13 0.36 -0.50 -1.11 0.00 0.00 177.39 176.37 2ksq h TRP 78 N 0.00 0.52 -0.41 1.96 6.55 -1.52 -3.10 115.95 119.95 2ksq h TRP 78 Ca 0.00 -0.23 -0.05 0.00 0.95 0.00 0.00 58.89 59.56 2ksq h TRP 78 Cb 0.19 -0.08 -0.03 0.00 -0.86 0.00 0.00 29.16 28.38 2ksq h TRP 78 CO 0.00 0.98 0.06 0.54 -1.05 0.00 0.00 178.44 178.97 2ksq n ARG 79 N -3.83 3.24 0.00 0.49 1.74 -1.18 -3.36 116.66 113.75 2ksq n ARG 79 Ca -0.04 -1.99 0.00 0.00 -0.77 0.00 0.00 57.85 55.05 2ksq n ARG 79 Cb 0.70 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2ksq n HIS 80 N 0.26 0.00 -0.84 -1.55 -0.00 -1.17 -4.77 115.22 107.15 2ksq n HIS 80 Ca 0.21 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.39 2ksq n HIS 80 Cb 0.92 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.79 2ksq n HIS 80 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2ksq n TYR 81 N -0.85 0.00 0.01 1.57 4.01 -1.24 -4.88 117.16 115.79 2ksq n TYR 81 Ca 0.00 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 2ksq n TYR 81 Cb 0.00 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 38.99 2ksq n TYR 81 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2ksq h TYR 82 N 0.00 -0.46 0.00 -0.72 5.03 -1.85 -3.44 116.97 115.53 2ksq h TYR 82 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2ksq h TYR 82 Cb 0.81 0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.31 2ksq h TYR 82 CO 0.00 -0.25 0.00 0.00 -1.32 0.00 0.00 178.16 176.59 2ksq n ASN 84 N 1.60 -2.48 -4.70 0.00 5.15 -1.26 -5.13 115.26 108.45 2ksq n ASN 84 Ca 0.00 -3.28 -0.42 0.00 -0.60 0.00 0.00 54.58 50.28 2ksq n ASN 84 Cb 0.00 1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 40.77 2ksq n ASN 84 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ksq s THR 85 N 0.42 4.86 0.05 -0.44 -4.23 -1.19 -4.61 115.64 110.50 2ksq s THR 85 Ca 0.31 2.02 0.02 0.00 -1.18 0.00 0.00 61.69 62.86 2ksq s THR 85 Cb 0.23 -4.30 -0.25 0.00 1.34 0.00 0.00 72.50 69.52 2ksq s THR 85 CO -0.21 0.12 1.01 -0.33 -0.54 0.00 0.00 174.62 174.67 2ksq h GLU 86 N 6.88 0.15 -2.09 3.99 5.08 0.77 -3.41 114.58 125.95 2ksq h GLU 86 Ca -0.38 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 2ksq h GLU 86 Cb 1.20 0.09 -0.22 0.00 0.50 0.00 0.00 28.75 30.33 2ksq h GLU 86 CO 0.78 1.02 0.03 0.20 -1.00 0.00 0.00 179.01 180.04 2ksq s GLY 87 N -4.84 -0.56 -0.08 -3.84 0.00 -0.80 -2.76 107.32 94.45 2ksq s GLY 87 Ca -0.04 2.12 -0.03 0.00 0.00 0.00 0.00 44.72 46.77 2ksq s GLY 87 CO 0.85 1.99 0.04 -1.34 0.00 0.00 0.00 173.10 174.64 2ksq s VAL 88 N 1.00 4.62 -0.51 1.40 -7.23 -1.10 -2.54 120.40 116.04 2ksq s VAL 88 Ca -0.05 -0.19 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 2ksq s VAL 88 Cb -0.05 -2.99 0.08 0.00 0.56 0.00 0.00 36.38 33.98 2ksq s VAL 88 CO -0.09 0.57 0.52 -0.63 -0.31 0.00 0.00 175.10 175.15 2ksq s ILE 89 N -0.97 5.07 -0.22 -0.62 1.01 0.15 -0.74 121.20 124.89 2ksq s ILE 89 Ca 0.15 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 2ksq s ILE 89 Cb -0.12 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.08 2ksq s ILE 89 CO 0.05 -0.77 0.73 0.12 0.00 0.00 0.00 174.94 175.06 2ksq s PHE 90 N 2.07 3.34 -0.30 3.97 5.36 0.21 -2.73 117.98 129.90 2ksq s PHE 90 Ca 0.08 1.03 -0.14 0.00 -0.96 0.00 0.00 56.93 56.93 2ksq s PHE 90 Cb -0.24 -2.92 -0.03 0.00 -0.34 0.00 0.00 43.02 39.49 2ksq s PHE 90 CO 0.07 -0.29 0.34 0.08 -1.46 0.00 0.00 175.22 173.97 2ksq s VAL 91 N 2.36 5.19 -0.17 3.12 1.01 -0.99 -1.02 120.40 129.90 2ksq s VAL 91 Ca 0.32 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2ksq s VAL 91 Cb -0.16 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2ksq s VAL 91 CO 0.09 0.06 -0.11 0.54 0.00 0.00 0.00 175.10 175.69 2ksq s VAL 92 N 2.01 1.52 0.15 2.92 0.11 -1.15 -4.16 120.40 121.78 2ksq s VAL 92 Ca 0.12 -0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 58.08 2ksq s VAL 92 Cb -0.16 -1.53 -0.10 0.00 -1.53 0.00 0.00 36.38 33.05 2ksq s VAL 92 CO 0.11 0.29 1.68 1.51 -3.33 0.00 0.00 175.10 175.36 2ksq s ASP 93 N 1.48 6.51 -0.05 3.54 1.47 -1.26 -0.33 116.67 128.02 2ksq s ASP 93 Ca 0.02 2.68 0.00 0.00 1.18 0.00 0.00 52.55 56.43 2ksq s ASP 93 Cb -0.15 -2.58 -0.26 0.00 -0.34 0.00 0.00 42.92 39.59 2ksq s ASP 93 CO -0.09 -0.91 0.63 0.77 0.68 0.00 0.00 175.17 176.25 2ksq h SER 94 N 7.51 0.29 -0.00 2.11 4.64 -1.61 -3.34 113.55 123.14 2ksq h SER 94 Ca -0.43 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 2ksq h SER 94 Cb 1.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2ksq h SER 94 CO 0.94 1.46 0.00 -3.20 -0.87 0.00 0.00 176.83 175.16 2ksq n ASN 95 N -3.35 0.21 -4.07 4.97 4.05 -1.26 -3.74 115.26 112.07 2ksq n ASN 95 Ca -0.22 -1.11 -0.36 0.00 0.45 0.00 0.00 54.58 53.35 2ksq n ASN 95 Cb 1.05 -0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.99 2ksq n ASN 95 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ksq n ASP 96 N -0.82 4.28 0.20 1.20 2.03 -1.25 -4.86 116.55 117.32 2ksq n ASP 96 Ca 0.22 -3.16 0.06 0.00 0.52 0.00 0.00 54.79 52.43 2ksq n ASP 96 Cb 0.14 -1.04 0.42 0.00 -0.72 0.00 0.00 41.12 39.92 2ksq n ASP 96 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2ksq h ARG 97 N 5.86 0.00 -0.43 -0.67 2.43 -1.87 -2.87 114.38 116.84 2ksq h ARG 97 Ca 0.17 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 2ksq h ARG 97 Cb 0.79 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 2ksq h ARG 97 CO 0.88 0.33 0.12 0.66 -1.51 0.00 0.00 179.97 180.44 2ksq h SER 98 N 0.00 0.07 -0.06 -3.80 4.64 -1.97 -2.00 113.55 110.42 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2ksq h SER 98 Cb 0.69 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2ksq h SER 98 CO 0.04 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 2ksq n ARG 99 N -5.06 1.88 -0.12 4.77 3.00 -1.19 -4.47 116.66 115.46 2ksq n ARG 99 Ca 0.04 -1.28 0.26 0.00 -0.01 0.00 0.00 57.85 56.85 2ksq n ARG 99 Cb 0.19 -1.46 0.54 0.00 0.00 0.00 0.00 32.46 31.72 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 2ksq h ILE 100 N 2.99 0.11 0.05 0.55 6.09 -1.13 0.87 117.51 127.05 2ksq h ILE 100 Ca 0.00 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.23 2ksq h ILE 100 Cb 0.64 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.11 2ksq h ILE 100 CO 0.00 0.00 -1.31 1.23 -3.07 0.00 0.00 178.15 175.00 2ksq h GLY 101 N 0.00 0.12 1.03 8.18 0.00 -1.79 -3.05 103.07 107.56 2ksq h GLY 101 Ca 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2ksq h GLY 101 CO -0.00 0.26 0.49 0.83 0.00 0.00 0.00 176.54 178.12 2ksq h GLU 102 N 0.03 1.25 -0.39 4.80 4.39 0.45 0.30 114.58 125.40 2ksq h GLU 102 Ca -0.14 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 2ksq h GLU 102 Cb 1.91 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.30 2ksq h GLU 102 CO 0.14 0.91 -0.09 0.00 -1.16 0.00 0.00 179.01 178.81 2ksq h ALA 103 N 1.27 0.54 0.09 3.43 0.00 -1.57 -1.09 119.26 121.93 2ksq h ALA 103 Ca 0.31 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksq h ALA 103 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2ksq h ALA 103 CO -0.05 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.56 2ksq h ARG 104 N 0.56 -0.12 -0.83 0.00 3.08 -1.32 -2.53 114.38 113.22 2ksq h ARG 104 Ca 0.10 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2ksq h ARG 104 Cb 0.61 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.65 2ksq h ARG 104 CO 0.04 0.13 0.45 1.49 -1.07 0.00 0.00 179.97 181.01 2ksq h GLU 105 N -0.36 1.15 -0.40 0.04 4.81 -0.42 -2.32 114.58 117.09 2ksq h GLU 105 Ca -0.01 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2ksq h GLU 105 Cb 0.30 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2ksq h GLU 105 CO 0.02 0.85 0.09 -0.39 -0.73 0.00 0.00 179.01 178.85 2ksq h VAL 106 N 1.15 1.18 -0.38 0.32 -1.51 -1.19 -2.37 116.25 113.46 2ksq h VAL 106 Ca 0.29 -0.66 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 2ksq h VAL 106 Cb 0.03 0.78 -0.02 0.00 -2.13 0.00 0.00 31.29 29.95 2ksq h VAL 106 CO -0.05 0.24 0.21 -0.03 -1.23 0.00 0.00 177.57 176.71 2ksq h MET 107 N 0.58 0.53 -0.90 5.19 4.05 -0.97 -2.64 114.93 120.76 2ksq h MET 107 Ca 0.13 -0.06 0.15 0.00 -0.28 0.00 0.00 59.70 59.64 2ksq h MET 107 Cb 0.23 -0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 30.83 2ksq h MET 107 CO -0.00 0.43 0.51 1.96 0.23 0.00 0.00 176.91 180.03 2ksq h GLN 108 N 0.48 0.70 -0.43 0.39 4.20 -1.06 0.53 115.11 119.92 2ksq h GLN 108 Ca 0.13 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2ksq h GLN 108 Cb 0.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2ksq h GLN 108 CO -0.02 0.46 0.25 0.00 -0.67 0.00 0.00 178.83 178.85 2ksq h ARG 109 N 0.72 0.49 -0.29 1.46 -0.00 -1.32 0.51 114.38 115.96 2ksq h ARG 109 Ca 0.49 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.98 59.80 2ksq h ARG 109 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.51 2ksq h ARG 109 CO -0.34 0.33 -0.37 0.52 0.00 0.00 0.00 179.97 180.10 2ksq h MET 110 N 0.51 0.68 0.00 0.04 2.86 -0.96 -1.56 114.93 116.50 2ksq h MET 110 Ca 0.17 -0.34 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 2ksq h MET 110 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2ksq h MET 110 CO -0.08 0.94 -0.43 -0.07 1.06 0.00 0.00 176.91 178.34 2ksq h LEU 111 N 0.56 0.00 -1.92 1.22 -0.00 0.68 -2.85 115.31 113.01 2ksq h LEU 111 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2ksq h LEU 111 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2ksq h LEU 111 CO 0.08 0.43 0.00 0.59 -0.00 0.00 0.00 178.44 179.54 2ksq n ASN 112 N -3.90 2.93 -4.69 -0.43 5.03 0.17 -4.88 115.26 109.49 2ksq n ASN 112 Ca -0.01 -1.93 -0.40 0.00 0.87 0.00 0.00 54.58 53.11 2ksq n ASN 112 Cb 0.47 -0.11 -0.05 0.00 -1.02 0.00 0.00 39.78 39.08 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2ksq s GLU 113 N -1.79 4.35 0.31 3.52 2.02 -0.61 -4.94 118.70 121.57 2ksq s GLU 113 Ca 0.34 0.85 0.05 0.00 0.02 0.00 0.00 54.97 56.22 2ksq s GLU 113 Cb 0.21 -3.51 0.52 0.00 0.10 0.00 0.00 34.13 31.45 2ksq s GLU 113 CO 0.31 -0.10 1.78 0.38 0.02 0.00 0.00 175.26 177.64 2ksq h ASP 114 N 7.07 0.41 0.82 -0.19 2.03 -1.91 0.47 116.42 125.13 2ksq h ASP 114 Ca -0.36 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2ksq h ASP 114 Cb 1.17 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 2ksq h ASP 114 CO 0.78 0.63 0.00 -0.33 -1.03 0.00 0.00 179.24 179.29 2ksq h GLU 115 N 0.38 0.00 0.00 4.15 4.39 -1.94 -2.98 114.58 118.58 2ksq h GLU 115 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2ksq h GLU 115 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2ksq h GLU 115 CO 0.04 0.00 -0.07 1.28 -1.16 0.00 0.00 179.01 179.09 2ksq n LEU 116 N -2.82 1.71 0.00 1.33 4.77 -0.82 -4.70 117.00 116.47 2ksq n LEU 116 Ca 0.01 -2.23 0.13 0.00 -0.03 0.00 0.00 56.01 53.89 2ksq n LEU 116 Cb 0.26 -0.21 0.71 0.00 -2.33 0.00 0.00 43.42 41.84 2ksq n LEU 116 CO 0.24 0.53 0.95 0.00 -1.33 0.00 0.00 177.39 177.77 2ksq n ASN 118 N -1.17 0.83 -4.86 0.00 3.02 -1.26 -5.00 115.26 106.82 2ksq n ASN 118 Ca 0.16 -0.92 -0.33 0.00 -0.03 0.00 0.00 54.58 53.46 2ksq n ASN 118 Cb 0.16 0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 39.99 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ksq s ALA 119 N -1.58 3.57 1.06 5.41 0.00 -1.11 -4.94 121.76 124.18 2ksq s ALA 119 Ca 0.06 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 2ksq s ALA 119 Cb 0.07 -2.48 0.22 0.00 0.00 0.00 0.00 23.12 20.94 2ksq s ALA 119 CO 0.31 0.48 1.13 0.00 0.00 0.00 0.00 175.76 177.68 2ksq s ALA 120 N -1.66 1.10 -0.40 0.00 0.00 -1.11 -4.86 121.76 114.83 2ksq s ALA 120 Ca 0.43 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2ksq s ALA 120 Cb -0.13 -2.97 0.24 0.00 0.00 0.00 0.00 23.12 20.27 2ksq s ALA 120 CO 0.20 -3.00 0.54 0.91 0.00 0.00 0.00 175.76 174.40 2ksq n TRP 121 N -4.30 -0.64 -2.94 0.00 8.01 -0.85 -2.71 117.44 114.02 2ksq n TRP 121 Ca 0.10 -3.40 -0.42 0.00 -1.31 0.00 0.00 57.50 52.46 2ksq n TRP 121 Cb 0.59 -0.17 -0.05 0.00 -2.01 0.00 0.00 31.31 29.67 2ksq n TRP 121 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 2ksq s LEU 122 N -1.06 4.13 0.03 -0.99 0.20 0.09 -2.74 118.68 118.33 2ksq s LEU 122 Ca 0.35 0.30 0.03 0.00 0.69 0.00 0.00 54.13 55.50 2ksq s LEU 122 Cb 0.17 -3.05 -0.04 0.00 -0.43 0.00 0.00 46.19 42.84 2ksq s LEU 122 CO -0.13 -0.78 -0.02 0.54 -0.29 0.00 0.00 176.35 175.67 2ksq s VAL 123 N 3.20 3.93 -0.11 1.68 0.11 0.60 0.65 120.40 130.46 2ksq s VAL 123 Ca 0.32 -0.80 -0.01 0.00 -2.93 0.00 0.00 61.98 58.56 2ksq s VAL 123 Cb -0.13 -2.79 0.03 0.00 -1.53 0.00 0.00 36.38 31.97 2ksq s VAL 123 CO 0.18 0.29 -0.02 -0.36 -3.33 0.00 0.00 175.10 171.86 2ksq s PHE 124 N -1.14 1.05 -0.36 1.54 0.08 -0.19 -2.37 117.98 116.60 2ksq s PHE 124 Ca 0.21 -0.51 -0.27 0.00 0.12 0.00 0.00 56.93 56.48 2ksq s PHE 124 Cb -0.11 -1.00 -0.05 0.00 -0.57 0.00 0.00 43.02 41.28 2ksq s PHE 124 CO 0.12 -0.45 2.20 0.00 -0.10 0.00 0.00 175.22 177.00 2ksq s ALA 125 N 1.85 2.32 0.78 5.36 0.00 0.33 -2.94 121.76 129.45 2ksq s ALA 125 Ca 0.04 0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 2ksq s ALA 125 Cb -0.13 -4.18 0.06 0.00 0.00 0.00 0.00 23.12 18.87 2ksq s ALA 125 CO -0.07 -3.44 1.13 1.21 0.00 0.00 0.00 175.76 174.60 2ksq s ASN 126 N 9.35 4.76 -1.84 0.00 2.47 0.55 -2.84 114.94 127.38 2ksq s ASN 126 Ca 0.94 1.04 0.00 0.00 0.42 0.00 0.00 52.86 55.26 2ksq s ASN 126 Cb -0.25 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 37.85 2ksq s ASN 126 CO 0.31 -1.77 0.00 0.29 -3.72 0.00 0.00 177.10 172.21 2ksq n LYS 127 N -3.27 -1.26 0.26 0.43 5.02 -1.26 -1.64 118.16 116.44 2ksq n LYS 127 Ca 0.07 1.09 0.11 0.00 -2.02 0.00 0.00 58.31 57.56 2ksq n LYS 127 Cb 0.58 -5.37 0.70 0.00 -0.02 0.00 0.00 35.03 30.92 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 -0.00 -1.63 -1.71 115.11 113.75 2ksq h GLN 128 Ca -0.37 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.24 2ksq h GLN 128 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.65 2ksq h GLN 128 CO 0.53 0.10 -0.17 0.38 0.00 0.00 0.00 178.83 179.67 2ksq h ASP 129 N 0.00 0.00 -3.28 -0.69 2.03 -1.89 -3.41 116.42 109.18 2ksq h ASP 129 Ca -0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.77 2ksq h ASP 129 Cb 0.22 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 38.81 2ksq h ASP 129 CO 0.01 0.17 0.89 0.18 -1.03 0.00 0.00 179.24 179.46 2ksq n LEU 130 N -3.65 4.38 -0.27 0.15 7.99 -0.64 -4.86 117.00 120.11 2ksq n LEU 130 Ca -0.01 1.15 0.31 0.00 -0.01 0.00 0.00 56.01 57.44 2ksq n LEU 130 Cb 0.30 -1.60 0.71 0.00 -0.11 0.00 0.00 43.42 42.72 2ksq n LEU 130 CO 0.32 0.16 1.29 -0.65 -1.51 0.00 0.00 177.39 177.00 2ksq h PRO 131 N 4.81 0.05 -0.83 3.23 0.11 -1.89 0.56 132.00 138.05 2ksq h PRO 131 Ca -0.47 -0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.33 2ksq h PRO 131 Cb 1.22 -0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.14 2ksq h PRO 131 CO 0.79 0.04 0.39 -1.91 -0.21 0.00 0.00 178.00 177.10 2ksq n GLU 132 N -4.27 3.31 -2.13 1.05 2.13 -1.26 -4.98 120.64 114.49 2ksq n GLU 132 Ca 0.23 -3.04 -0.42 0.00 0.66 0.00 0.00 57.16 54.59 2ksq n GLU 132 Cb 1.09 -2.21 -0.03 0.00 0.27 0.00 0.00 31.44 30.56 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ksq s ALA 133 N -3.06 3.62 0.55 4.31 0.00 0.20 -4.52 121.76 122.86 2ksq s ALA 133 Ca 0.55 1.16 -0.20 0.00 0.00 0.00 0.00 51.96 53.47 2ksq s ALA 133 Cb 0.45 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 2ksq s ALA 133 CO 0.13 -0.64 1.21 -1.64 0.00 0.00 0.00 175.76 174.81 2ksq s MET 134 N 1.12 3.25 0.81 0.00 -1.94 -1.25 -4.94 119.30 116.36 2ksq s MET 134 Ca 0.65 1.84 -0.11 0.00 -1.71 0.00 0.00 55.69 56.36 2ksq s MET 134 Cb -0.38 -2.10 0.08 0.00 2.01 0.00 0.00 34.83 34.43 2ksq s MET 134 CO 0.30 -0.98 1.09 -1.54 -0.01 0.00 0.00 175.02 173.88 2ksq s SER 135 N -1.47 4.35 0.22 3.03 1.04 -1.26 -4.89 113.70 114.72 2ksq s SER 135 Ca 0.72 1.38 -0.05 0.00 0.48 0.00 0.00 55.95 58.49 2ksq s SER 135 Cb -0.30 -2.12 0.21 0.00 0.10 0.00 0.00 66.02 63.91 2ksq s SER 135 CO 0.34 -2.07 1.69 0.00 0.98 0.00 0.00 173.24 174.18 2ksq h ALA 136 N -1.16 0.96 -0.33 5.32 0.00 -1.99 -2.47 119.26 119.59 2ksq h ALA 136 Ca -0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 2ksq h ALA 136 Cb 1.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2ksq h ALA 136 CO 0.58 0.62 0.06 0.00 0.00 0.00 0.00 179.25 180.51 2ksq h ALA 137 N 1.13 1.51 0.00 0.00 0.00 -1.99 -0.61 119.26 119.29 2ksq h ALA 137 Ca 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ksq h ALA 137 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ksq h ALA 137 CO 0.03 0.37 -0.03 0.93 0.00 0.00 0.00 179.25 180.55 2ksq h GLU 138 N 0.47 0.02 -0.54 0.00 5.08 -1.88 -2.31 114.58 115.42 2ksq h GLU 138 Ca 0.11 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2ksq h GLU 138 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2ksq h GLU 138 CO -0.00 0.83 0.32 0.82 -1.00 0.00 0.00 179.01 179.97 2ksq h ILE 139 N -0.78 1.16 0.12 3.13 2.04 -1.39 -1.87 117.51 119.92 2ksq h ILE 139 Ca -0.00 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2ksq h ILE 139 Cb 0.84 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2ksq h ILE 139 CO 0.01 0.17 -0.06 0.71 0.00 0.00 0.00 178.15 178.97 2ksq h THR 140 N 0.74 1.06 0.29 -0.27 1.35 -1.18 -2.71 112.91 112.20 2ksq h THR 140 Ca 0.19 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2ksq h THR 140 Cb -0.01 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2ksq h THR 140 CO -0.04 0.20 -0.28 -0.08 -0.25 0.00 0.00 175.52 175.07 2ksq h GLU 141 N -0.57 -0.58 -0.65 4.72 4.57 -1.19 -1.38 114.58 119.50 2ksq h GLU 141 Ca -0.02 0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.34 2ksq h GLU 141 Cb 0.45 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 2ksq h GLU 141 CO 0.03 -0.39 0.44 0.87 -1.18 0.00 0.00 179.01 178.78 2ksq h LYS 142 N -0.60 0.30 -0.00 1.92 1.57 -1.44 0.33 116.57 118.65 2ksq h LYS 142 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2ksq h LYS 142 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2ksq h LYS 142 CO -0.06 0.20 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 2ksq n LEU 143 N -4.45 0.25 -2.67 2.94 7.99 -0.91 -4.91 117.00 115.24 2ksq n LEU 143 Ca 0.12 -0.09 -0.14 0.00 -0.01 0.00 0.00 56.01 55.89 2ksq n LEU 143 Cb 0.49 -0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.86 2ksq n LEU 143 CO 0.34 0.04 0.12 0.61 -1.51 0.00 0.00 177.39 177.00 2ksq n GLY 144 N 1.02 -0.10 0.26 -0.72 0.00 0.12 -4.94 105.19 100.82 2ksq n GLY 144 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2ksq n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksq h LEU 145 N -1.60 0.80 -1.75 0.99 5.85 -1.43 -2.77 115.31 115.40 2ksq h LEU 145 Ca -0.40 -0.16 0.20 0.00 0.84 0.00 0.00 57.88 58.36 2ksq h LEU 145 Cb 1.25 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2ksq h LEU 145 CO 0.37 0.75 0.71 0.45 -0.34 0.00 0.00 178.44 180.38 2ksq h HIS 146 N 0.81 0.00 -0.46 1.25 3.86 -1.90 0.77 115.15 119.47 2ksq h HIS 146 Ca 0.20 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 2ksq h HIS 146 Cb 0.19 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 2ksq h HIS 146 CO 0.01 0.00 0.09 0.43 0.86 0.00 0.00 177.93 179.32 2ksq n SER 147 N -3.67 4.15 -4.59 2.45 7.64 -1.04 -4.88 113.62 113.68 2ksq n SER 147 Ca 0.14 -2.74 -0.43 0.00 1.01 0.00 0.00 58.87 56.86 2ksq n SER 147 Cb 0.96 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 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 -2.24 4.39 0.00 0.44 1.09 0.27 -4.52 121.20 120.63 2ksq s ILE 148 Ca 0.38 1.02 0.00 0.00 -1.10 0.00 0.00 60.65 60.95 2ksq s ILE 148 Cb 0.30 -4.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.22 2ksq s ILE 148 CO 0.10 -0.84 0.00 0.54 -0.10 0.00 0.00 174.94 174.64 2ksq n ARG 149 N 7.34 0.00 0.24 2.79 1.74 -1.26 -4.94 116.66 122.57 2ksq n ARG 149 Ca 0.09 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.31 2ksq n ARG 149 Cb 0.49 0.00 0.39 0.00 -1.02 0.00 0.00 32.46 32.32 2ksq n ARG 149 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 2ksq h ASN 150 N 0.00 0.00 -3.40 0.55 -1.24 -2.02 -3.44 115.58 106.03 2ksq h ASN 150 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 56.30 56.61 2ksq h ASN 150 Cb 0.00 0.00 -0.35 0.00 0.73 0.00 0.00 38.32 38.70 2ksq h ASN 150 CO 0.00 0.00 -0.76 -0.13 -1.29 0.00 0.00 177.43 175.25 2ksq s ARG 151 N -3.40 0.61 -0.51 6.67 1.81 -1.26 -5.10 118.95 117.77 2ksq s ARG 151 Ca 0.05 0.02 -0.27 0.00 -1.72 0.00 0.00 55.73 53.80 2ksq s ARG 151 Cb 0.07 -0.78 -0.02 0.00 -0.45 0.00 0.00 34.95 33.76 2ksq s ARG 151 CO 0.61 -0.17 1.89 -1.25 -0.68 0.00 0.00 175.30 175.70 2ksq s PRO 152 N 1.29 2.80 -0.00 3.54 0.04 -1.26 -4.95 135.00 136.45 2ksq s PRO 152 Ca -0.06 0.94 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 2ksq s PRO 152 Cb -0.13 -4.34 0.01 0.00 0.04 0.00 0.00 34.50 30.07 2ksq s PRO 152 CO -0.02 -2.50 0.21 1.67 0.04 0.00 0.00 177.00 176.39 2ksq s TRP 153 N 8.66 -0.05 0.03 0.56 -2.14 -1.26 -2.01 118.94 122.74 2ksq s TRP 153 Ca 0.74 0.03 0.00 0.00 2.66 0.00 0.00 56.10 59.53 2ksq s TRP 153 Cb -0.16 0.01 -0.02 0.00 -3.10 0.00 0.00 33.47 30.20 2ksq s TRP 153 CO 0.25 -0.33 -0.04 0.12 -2.66 0.00 0.00 176.95 174.30 2ksq s PHE 154 N -1.36 0.38 -0.08 1.66 5.36 -1.11 -5.00 117.98 117.83 2ksq s PHE 154 Ca -0.14 -0.63 0.04 0.00 -0.96 0.00 0.00 56.93 55.24 2ksq s PHE 154 Cb -0.07 -0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.35 2ksq s PHE 154 CO 0.03 -0.21 -0.21 -1.50 -1.46 0.00 0.00 175.22 171.87 2ksq s ILE 155 N -1.92 1.79 -0.01 3.12 2.07 -1.25 -0.29 121.20 124.72 2ksq s ILE 155 Ca -0.11 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.28 2ksq s ILE 155 Cb -0.07 -1.56 -0.00 0.00 0.13 0.00 0.00 42.46 40.96 2ksq s ILE 155 CO -0.02 0.50 -0.07 -1.10 -1.91 0.00 0.00 174.94 172.33 2ksq s GLN 156 N 0.33 0.64 -0.36 3.50 -1.52 -1.00 -4.98 119.66 116.27 2ksq s GLN 156 Ca -0.15 -0.26 -0.25 0.00 -1.95 0.00 0.00 55.36 52.75 2ksq s GLN 156 Cb -0.16 -0.62 0.01 0.00 -0.22 0.00 0.00 33.01 32.02 2ksq s GLN 156 CO 0.07 0.15 0.87 0.00 -0.25 0.00 0.00 175.29 176.13 2ksq s ALA 157 N -0.10 3.43 0.24 6.09 0.00 -1.26 -0.52 121.76 129.65 2ksq s ALA 157 Ca 0.02 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2ksq s ALA 157 Cb -0.04 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2ksq s ALA 157 CO -0.00 -1.51 0.01 -0.08 0.00 0.00 0.00 175.76 174.18 2ksq s THR 158 N 3.30 1.00 -0.28 0.00 -1.32 -1.13 -4.87 115.64 112.35 2ksq s THR 158 Ca 0.36 -2.03 -0.00 0.00 -1.21 0.00 0.00 61.69 58.81 2ksq s THR 158 Cb -0.13 -2.42 0.09 0.00 -1.51 0.00 0.00 72.50 68.53 2ksq s THR 158 CO 0.17 -0.26 0.05 0.00 -2.21 0.00 0.00 174.62 172.38 2ksq h ALA 160 N 8.03 0.81 -0.94 0.00 0.00 -1.92 0.87 119.26 126.11 2ksq h ALA 160 Ca -0.14 -0.49 0.22 0.00 0.00 0.00 0.00 54.91 54.50 2ksq h ALA 160 Cb 1.04 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2ksq h ALA 160 CO 0.44 0.68 0.62 0.00 0.00 0.00 0.00 179.25 180.99 2ksq h THR 161 N 0.35 0.65 0.00 0.00 1.03 -1.94 -2.93 112.91 110.07 2ksq h THR 161 Ca 0.01 -0.14 -0.27 0.00 -0.01 0.00 0.00 66.41 66.00 2ksq h THR 161 Cb 1.03 0.19 -0.05 0.00 -1.07 0.00 0.00 68.15 68.25 2ksq h THR 161 CO 0.09 0.08 -2.03 -1.20 -0.01 0.00 0.00 175.52 172.45 2ksq n SER 162 N -4.54 2.57 0.00 0.00 7.64 -1.16 -4.70 113.62 113.43 2ksq n SER 162 Ca 0.21 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2ksq n SER 162 Cb 0.73 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2ksq n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ksq n GLY 163 N 2.63 0.85 3.76 0.23 0.00 0.30 -4.96 105.19 108.00 2ksq n GLY 163 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2ksq n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksq s GLU 164 N -0.72 4.46 0.00 1.61 2.12 -1.06 -2.92 118.70 122.19 2ksq s GLU 164 Ca 0.00 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.36 2ksq s GLU 164 Cb 0.00 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2ksq s GLU 164 CO 0.00 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 2ksq n GLY 165 N 1.33 3.00 0.28 -1.50 0.00 -1.26 -2.65 105.19 104.38 2ksq n GLY 165 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2ksq n GLY 165 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksq h LEU 166 N 0.00 0.71 -0.54 0.99 7.12 -1.86 -2.77 115.31 118.96 2ksq h LEU 166 Ca 0.00 -0.17 -0.05 0.00 0.13 0.00 0.00 57.88 57.79 2ksq h LEU 166 Cb 0.00 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 39.92 2ksq h LEU 166 CO 0.00 0.78 0.14 1.88 -0.13 0.00 0.00 178.44 181.12 2ksq h TYR 167 N 0.69 0.89 -0.85 1.25 0.05 -1.89 -2.74 116.97 114.36 2ksq h TYR 167 Ca 0.14 -0.10 0.05 0.00 0.05 0.00 0.00 58.73 58.86 2ksq h TYR 167 Cb 0.44 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 2ksq h TYR 167 CO 0.02 0.77 0.56 0.93 -1.05 0.00 0.00 178.16 179.39 2ksq h GLU 168 N 0.75 0.98 -0.56 4.88 4.39 -1.89 -2.47 114.58 120.66 2ksq h GLU 168 Ca 0.17 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2ksq h GLU 168 Cb 0.32 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2ksq h GLU 168 CO -0.00 0.65 0.30 0.78 -1.16 0.00 0.00 179.01 179.58 2ksq h GLY 169 N 1.01 0.85 1.93 -3.84 0.00 -1.26 -1.62 103.07 100.13 2ksq h GLY 169 Ca 0.35 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 2ksq h GLY 169 CO -0.11 0.38 -0.24 -2.00 0.00 0.00 0.00 176.54 174.56 2ksq h LEU 170 N 0.76 0.08 -0.42 3.11 5.85 -1.35 -2.60 115.31 120.75 2ksq h LEU 170 Ca 0.20 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 2ksq h LEU 170 Cb 0.06 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2ksq h LEU 170 CO -0.03 0.33 -0.72 -0.33 -0.34 0.00 0.00 178.44 177.35 2ksq h GLU 171 N 0.08 0.40 -0.41 1.25 5.08 -1.03 -2.49 114.58 117.46 2ksq h GLU 171 Ca 0.01 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 57.95 2ksq h GLU 171 Cb 0.48 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2ksq h GLU 171 CO 0.03 0.96 -0.13 -1.49 -1.00 0.00 0.00 179.01 177.39 2ksq h TRP 172 N 0.27 0.92 0.11 4.33 -0.00 -0.95 -2.63 115.95 118.01 2ksq h TRP 172 Ca -0.03 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.89 58.65 2ksq h TRP 172 Cb 1.29 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 30.23 2ksq h TRP 172 CO 0.04 0.95 -0.05 1.25 -0.00 0.00 0.00 178.44 180.63 2ksq h LEU 173 N 0.63 -0.13 -1.84 -4.49 6.46 -1.50 -2.63 115.31 111.81 2ksq h LEU 173 Ca 0.10 -0.32 0.15 0.00 -0.12 0.00 0.00 57.88 57.69 2ksq h LEU 173 Cb 0.67 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 2ksq h LEU 173 CO 0.05 0.26 0.42 -1.28 -0.62 0.00 0.00 178.44 177.27 2ksq h SER 174 N -0.54 0.15 0.53 1.25 0.87 -1.49 0.41 113.55 114.73 2ksq h SER 174 Ca -0.02 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 2ksq h SER 174 Cb 0.43 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2ksq h SER 174 CO 0.03 0.08 -0.76 0.78 -0.53 0.00 0.00 176.83 176.43 2ksq h ASN 175 N 0.16 0.22 0.51 6.23 4.21 -1.38 -2.79 115.58 122.73 2ksq h ASN 175 Ca 0.29 -0.15 -0.08 0.00 1.21 0.00 0.00 56.30 57.57 2ksq h ASN 175 Cb 0.93 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 2ksq h ASN 175 CO -0.04 0.89 -0.37 0.00 -1.29 0.00 0.00 177.43 176.62 2ksq n LEU 177 N -3.86 1.82 -3.05 0.00 4.32 -1.11 -4.92 117.00 110.19 2ksq n LEU 177 Ca -0.01 0.62 -0.15 0.00 -0.02 0.00 0.00 56.01 56.45 2ksq n LEU 177 Cb 0.43 -0.87 -0.02 0.00 -1.62 0.00 0.00 43.42 41.35 2ksq n LEU 177 CO 0.38 -0.45 -0.06 1.17 -1.22 0.00 0.00 177.39 177.20 2ksq n LYS 178 N -4.61 -2.57 -0.24 3.23 4.81 -1.06 -4.74 118.16 112.99 2ksq n LYS 178 Ca -0.08 0.23 0.20 0.00 -0.87 0.00 0.00 58.31 57.79 2ksq n LYS 178 Cb 0.28 -4.81 0.37 0.00 0.02 0.00 0.00 35.03 30.89 2ksq n LYS 178 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2ksq n ASN 179 N -1.90 0.15 -3.00 3.14 6.94 -1.26 -4.67 115.26 114.66 2ksq n ASN 179 Ca -0.01 1.24 -0.12 0.00 -0.02 0.00 0.00 54.58 55.67 2ksq n ASN 179 Cb 0.52 -0.55 -0.00 0.00 -2.36 0.00 0.00 39.78 37.38 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2ksq s SER 180 N -4.76 0.49 0.00 0.53 0.15 -1.26 -5.13 113.70 103.72 2ksq s SER 180 Ca -0.08 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.23 2ksq s SER 180 Cb 0.24 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 2ksq s SER 180 CO 0.58 -1.53 0.09 0.35 1.20 0.00 0.00 173.24 173.92