#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 0.17 -0.25 0.99 4.07 -2.06 -2.63 115.31 115.61 2ksq h LEU 3 Ca 0.00 -0.47 -0.07 0.00 0.08 0.00 0.00 57.88 57.42 2ksq h LEU 3 Cb 0.00 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2ksq h LEU 3 CO 0.00 0.61 -0.11 0.15 -1.08 0.00 0.00 178.44 178.01 2ksq h PHE 4 N -0.27 0.59 0.32 1.13 3.04 -2.06 -3.02 116.94 116.66 2ksq h PHE 4 Ca 0.01 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2ksq h PHE 4 Cb 0.56 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 2ksq h PHE 4 CO 0.09 0.77 -0.44 0.00 -2.02 0.00 0.00 178.31 176.70 2ksq h ALA 5 N 0.73 -0.91 -0.59 2.41 0.00 -2.01 -1.55 119.26 117.35 2ksq h ALA 5 Ca 0.06 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.01 2ksq h ALA 5 Cb 0.61 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2ksq h ALA 5 CO 0.03 -1.06 0.47 0.66 0.00 0.00 0.00 179.25 179.36 2ksq h SER 6 N -0.81 0.00 0.01 0.00 4.64 -1.54 -0.67 113.55 115.19 2ksq h SER 6 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2ksq h SER 6 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2ksq h SER 6 CO -0.14 0.00 -0.01 0.50 -0.87 0.00 0.00 176.83 176.32 2ksq h LYS 7 N 0.00 -0.02 -0.25 4.77 1.63 -1.18 -2.08 116.57 119.45 2ksq h LYS 7 Ca 0.28 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.16 2ksq h LYS 7 Cb 1.23 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 2ksq h LYS 7 CO -0.00 0.53 0.19 1.25 -3.45 0.00 0.00 179.45 177.96 2ksq h LEU 8 N -0.57 0.00 -0.24 5.20 7.12 -0.29 0.47 115.31 126.99 2ksq h LEU 8 Ca -0.00 0.00 -0.20 0.00 0.13 0.00 0.00 57.88 57.81 2ksq h LEU 8 Cb 0.55 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 2ksq h LEU 8 CO 0.00 0.00 -0.90 0.15 -0.13 0.00 0.00 178.44 177.56 2ksq h PHE 9 N 0.00 0.24 -0.09 1.25 3.04 -1.25 -3.25 116.94 116.89 2ksq h PHE 9 Ca 0.12 -0.14 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 2ksq h PHE 9 Cb 0.49 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2ksq h PHE 9 CO 0.00 0.97 -0.65 0.77 -2.02 0.00 0.00 178.31 177.39 2ksq h SER 10 N 0.08 0.39 0.57 0.41 0.02 -0.22 -3.02 113.55 111.79 2ksq h SER 10 Ca -0.04 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 2ksq h SER 10 Cb 1.55 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.97 2ksq h SER 10 CO 0.13 0.93 -0.12 0.78 -1.14 0.00 0.00 176.83 177.42 2ksq h ASN 11 N 0.24 0.00 0.84 3.07 4.21 -1.32 -2.45 115.58 120.17 2ksq h ASN 11 Ca -0.01 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.31 2ksq h ASN 11 Cb 1.18 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.36 2ksq h ASN 11 CO 0.11 0.12 -0.88 0.25 -1.29 0.00 0.00 177.43 175.73 2ksq h LEU 12 N 0.00 0.04 -3.73 1.61 7.12 -1.57 -2.90 115.31 115.88 2ksq h LEU 12 Ca -0.00 -0.03 -0.40 0.00 0.13 0.00 0.00 57.88 57.58 2ksq h LEU 12 Cb 0.43 -0.01 -0.23 0.00 -0.53 0.00 0.00 40.66 40.32 2ksq h LEU 12 CO 0.02 0.90 0.32 0.49 -0.13 0.00 0.00 178.44 180.04 2ksq n PHE 13 N -3.52 2.28 0.00 1.25 3.01 -0.95 -4.54 117.46 114.99 2ksq n PHE 13 Ca -0.01 -1.87 0.00 0.00 1.01 0.00 0.00 57.45 56.58 2ksq n PHE 13 Cb 0.83 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.11 0.00 3.53 1.37 0.00 -1.05 -5.01 105.19 102.92 2ksq n GLY 14 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.79 6.18 -0.43 1.61 3.04 -1.10 -4.86 114.94 114.60 2ksq s ASN 15 Ca 0.00 -0.64 0.07 0.00 0.04 0.00 0.00 52.86 52.33 2ksq s ASN 15 Cb 0.00 -2.52 0.42 0.00 -1.54 0.00 0.00 41.25 37.61 2ksq s ASN 15 CO 0.00 -1.72 1.07 0.29 -3.04 0.00 0.00 177.10 173.70 2ksq n LYS 16 N 8.92 3.01 -4.02 0.43 5.02 -1.26 -4.94 118.16 125.32 2ksq n LYS 16 Ca 0.03 -4.30 -0.16 0.00 -2.02 0.00 0.00 58.31 51.85 2ksq n LYS 16 Cb 0.48 -2.07 -0.15 0.00 -0.02 0.00 0.00 35.03 33.26 2ksq n LYS 16 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2ksq s GLU 17 N -3.46 0.36 0.05 1.97 2.12 -1.26 -0.22 118.70 118.25 2ksq s GLU 17 Ca 0.44 -0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.81 2ksq s GLU 17 Cb 0.40 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.33 2ksq s GLU 17 CO -0.15 -0.04 -0.20 -1.64 -0.54 0.00 0.00 175.26 172.69 2ksq s MET 18 N 0.53 1.33 -0.20 4.30 -1.94 -1.09 -4.95 119.30 117.27 2ksq s MET 18 Ca -0.05 -0.94 -0.08 0.00 -1.71 0.00 0.00 55.69 52.91 2ksq s MET 18 Cb -0.09 -1.44 -0.04 0.00 2.01 0.00 0.00 34.83 35.27 2ksq s MET 18 CO -0.01 0.36 0.08 0.50 -0.01 0.00 0.00 175.02 175.95 2ksq s ARG 19 N -1.23 3.95 0.13 2.03 6.06 -1.26 -0.07 118.95 128.56 2ksq s ARG 19 Ca 0.07 -0.35 0.05 0.00 -2.50 0.00 0.00 55.73 53.00 2ksq s ARG 19 Cb -0.09 -3.29 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 2ksq s ARG 19 CO 0.02 0.17 -0.12 0.42 -2.50 0.00 0.00 175.30 173.28 2ksq s ILE 20 N 0.68 1.25 0.01 4.11 1.09 0.30 0.12 121.20 128.76 2ksq s ILE 20 Ca 0.04 -1.83 0.03 0.00 -1.10 0.00 0.00 60.65 57.79 2ksq s ILE 20 Cb -0.13 -1.62 -0.01 0.00 -1.06 0.00 0.00 42.46 39.64 2ksq s ILE 20 CO 0.02 -0.54 -0.09 -0.22 -0.10 0.00 0.00 174.94 174.00 2ksq s LEU 21 N -2.70 2.08 -0.29 2.97 2.96 -0.28 -2.33 118.68 121.09 2ksq s LEU 21 Ca 0.11 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 2ksq s LEU 21 Cb -0.02 -0.42 0.02 0.00 0.50 0.00 0.00 46.19 46.26 2ksq s LEU 21 CO 0.02 0.05 0.04 -0.32 -1.32 0.00 0.00 176.35 174.82 2ksq s MET 22 N -0.55 2.97 -0.04 1.98 1.75 0.29 0.11 119.30 125.82 2ksq s MET 22 Ca 0.01 -0.93 0.06 0.00 -1.25 0.00 0.00 55.69 53.58 2ksq s MET 22 Cb -0.05 -3.27 -0.01 0.00 2.84 0.00 0.00 34.83 34.34 2ksq s MET 22 CO 0.00 -0.45 -0.21 0.08 -0.65 0.00 0.00 175.02 173.79 2ksq s VAL 23 N 1.44 1.67 0.17 10.11 1.01 -1.06 -2.03 120.40 131.71 2ksq s VAL 23 Ca 0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2ksq s VAL 23 Cb -0.17 -1.41 0.07 0.00 0.00 0.00 0.00 36.38 34.87 2ksq s VAL 23 CO 0.01 0.47 0.98 -0.83 0.00 0.00 0.00 175.10 175.73 2ksq s GLY 24 N -0.23 -0.10 0.00 4.51 0.00 -1.26 -2.19 107.32 108.05 2ksq s GLY 24 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.68 2ksq s GLY 24 CO 0.01 0.68 0.00 1.04 0.00 0.00 0.00 173.10 174.83 2ksq n LEU 25 N -0.54 0.00 -0.90 0.66 4.32 -1.26 -4.46 117.00 114.81 2ksq n LEU 25 Ca -0.05 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.93 2ksq n LEU 25 Cb 0.60 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.46 2ksq n LEU 25 CO 0.16 -0.91 0.46 -0.90 -1.22 0.00 0.00 177.39 174.98 2ksq n ASP 26 N -1.09 2.28 0.00 -1.43 5.75 -1.26 -4.09 116.55 116.71 2ksq n ASP 26 Ca 0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2ksq n ASP 26 Cb 0.00 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.55 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 0.15 0.00 0.08 6.12 0.00 -1.26 -4.89 105.19 105.39 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 -0.09 0.00 4.61 0.00 -1.85 -3.48 119.26 118.45 2ksq h ALA 28 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ksq h ALA 28 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ksq h ALA 28 CO 0.00 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2ksq n GLY 29 N -0.39 1.00 0.29 0.00 0.00 -1.26 -4.76 105.19 100.07 2ksq n GLY 29 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.92 -0.36 1.61 1.57 -1.92 -1.34 116.57 117.05 2ksq h LYS 30 Ca 0.00 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.31 2ksq h LYS 30 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2ksq h LYS 30 CO 0.00 0.96 -0.41 1.15 -0.57 0.00 0.00 179.45 180.58 2ksq h THR 31 N 0.83 1.27 -0.37 -0.16 2.02 -1.94 -2.21 112.91 112.36 2ksq h THR 31 Ca 0.14 -1.58 -0.09 0.00 0.77 0.00 0.00 66.41 65.65 2ksq h THR 31 Cb 0.60 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 2ksq h THR 31 CO 0.04 0.53 -0.11 0.74 0.37 0.00 0.00 175.52 177.08 2ksq h THR 32 N 0.73 1.28 0.10 3.16 2.02 -1.87 -2.86 112.91 115.46 2ksq h THR 32 Ca 0.05 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 2ksq h THR 32 Cb 1.00 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.70 2ksq h THR 32 CO 0.10 0.40 -0.05 0.58 0.37 0.00 0.00 175.52 176.92 2ksq h VAL 33 N 0.52 1.11 -0.75 3.16 2.07 -1.27 -2.60 116.25 118.49 2ksq h VAL 33 Ca 0.09 -0.82 0.13 0.00 0.82 0.00 0.00 66.70 66.92 2ksq h VAL 33 Cb 0.63 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2ksq h VAL 33 CO 0.04 0.20 0.50 0.25 0.02 0.00 0.00 177.57 178.58 2ksq h LEU 34 N -0.51 0.46 -0.24 2.57 5.85 -1.47 -1.28 115.31 120.69 2ksq h LEU 34 Ca -0.01 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 2ksq h LEU 34 Cb 0.42 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2ksq h LEU 34 CO 0.02 0.25 -0.90 1.88 -0.34 0.00 0.00 178.44 179.35 2ksq h TYR 35 N 0.50 0.27 -0.10 1.25 -1.99 -1.48 -1.72 116.97 113.69 2ksq h TYR 35 Ca 0.36 -0.15 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 2ksq h TYR 35 Cb 0.72 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.42 2ksq h TYR 35 CO -0.00 0.99 -0.12 -0.22 -0.00 0.00 0.00 178.16 178.81 2ksq h LYS 36 N 0.09 0.26 0.00 4.88 1.63 -0.85 0.94 116.57 123.53 2ksq h LYS 36 Ca -0.05 -0.14 -0.15 0.00 -0.85 0.00 0.00 60.65 59.46 2ksq h LYS 36 Cb 1.55 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.17 2ksq h LYS 36 CO 0.14 0.69 -0.72 1.25 -3.45 0.00 0.00 179.45 177.36 2ksq h LEU 37 N -0.16 0.00 0.16 5.20 6.46 -1.52 0.91 115.31 126.37 2ksq h LEU 37 Ca 0.01 0.00 -0.35 0.00 -0.12 0.00 0.00 57.88 57.43 2ksq h LEU 37 Cb 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2ksq h LEU 37 CO 0.03 0.72 -1.76 0.50 -0.62 0.00 0.00 178.44 177.31 2ksq h LYS 38 N 0.00 0.35 0.00 1.25 3.11 -1.33 -3.38 116.57 116.57 2ksq h LYS 38 Ca -0.01 -0.59 0.00 0.00 -2.81 0.00 0.00 60.65 57.24 2ksq h LYS 38 Cb 1.41 0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.86 2ksq h LYS 38 CO 0.09 1.28 -1.43 -0.11 -2.81 0.00 0.00 179.45 176.48 2ksq n LEU 39 N -3.62 0.46 0.00 5.20 0.00 0.32 -4.99 117.00 114.38 2ksq n LEU 39 Ca -0.26 -0.25 0.00 0.00 0.00 0.00 0.00 56.01 55.50 2ksq n LEU 39 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.46 2ksq n LEU 39 CO 0.48 0.12 0.00 0.61 0.00 0.00 0.00 177.39 178.60 2ksq n GLY 40 N 1.41 2.03 3.01 -3.96 0.00 0.32 -4.97 105.19 103.02 2ksq n GLY 40 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.10 0.50 0.04 1.61 2.02 -1.22 -4.93 118.70 116.62 2ksq s GLU 41 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 2ksq s GLU 41 Cb 0.00 -0.41 -0.04 0.00 0.10 0.00 0.00 34.13 33.78 2ksq s GLU 41 CO 0.00 0.10 1.01 0.08 0.02 0.00 0.00 175.26 176.48 2ksq s VAL 42 N -0.60 4.62 0.45 2.63 1.01 -1.26 -3.84 120.40 123.41 2ksq s VAL 42 Ca -0.02 1.95 0.04 0.00 0.00 0.00 0.00 61.98 63.95 2ksq s VAL 42 Cb -0.05 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2ksq s VAL 42 CO 0.00 0.19 0.02 0.27 0.00 0.00 0.00 175.10 175.58 2ksq s ILE 43 N 0.76 1.54 -0.14 2.22 -0.00 -1.26 -5.07 121.20 119.25 2ksq s ILE 43 Ca 0.52 -2.00 -0.29 0.00 -0.00 0.00 0.00 60.65 58.87 2ksq s ILE 43 Cb -0.23 -2.62 -0.01 0.00 -0.00 0.00 0.00 42.46 39.60 2ksq s ILE 43 CO 0.29 0.00 1.18 -0.89 -0.00 0.00 0.00 174.94 175.52 2ksq s THR 44 N -2.84 4.40 0.22 8.37 2.01 -1.26 -4.90 115.64 121.64 2ksq s THR 44 Ca 0.23 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.94 2ksq s THR 44 Cb 0.06 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2ksq s THR 44 CO 0.12 -0.10 0.39 0.28 -0.69 0.00 0.00 174.62 174.62 2ksq s THR 45 N 2.95 5.22 0.14 -0.82 -1.32 -1.26 -5.05 115.64 115.50 2ksq s THR 45 Ca 0.52 -0.51 -0.07 0.00 -1.21 0.00 0.00 61.69 60.42 2ksq s THR 45 Cb -0.21 -3.77 -0.01 0.00 -1.51 0.00 0.00 72.50 67.00 2ksq s THR 45 CO 0.15 -0.23 0.22 0.27 -2.21 0.00 0.00 174.62 172.82 2ksq s ILE 46 N -1.92 0.09 -0.29 5.08 -4.36 -1.26 -5.10 121.20 113.44 2ksq s ILE 46 Ca 0.37 -1.44 -0.30 0.00 -0.26 0.00 0.00 60.65 59.03 2ksq s ILE 46 Cb -0.11 -1.76 -0.07 0.00 1.25 0.00 0.00 42.46 41.77 2ksq s ILE 46 CO 0.30 -0.41 2.25 -2.65 0.24 0.00 0.00 174.94 174.66 2ksq n PRO 47 N -0.16 1.62 -3.96 0.37 -0.02 -1.26 -4.93 135.00 126.67 2ksq n PRO 47 Ca -0.09 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.50 2ksq n PRO 47 Cb 0.63 -3.05 -0.15 0.00 -0.02 0.00 0.00 33.50 30.91 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 8.52 2.19 0.24 3.45 2.01 -1.26 -5.08 115.64 125.70 2ksq s THR 48 Ca 1.03 -2.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.20 2ksq s THR 48 Cb -0.46 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 69.38 2ksq s THR 48 CO 0.38 -0.68 1.05 -0.63 -0.69 0.00 0.00 174.62 174.05 2ksq s ILE 49 N 0.62 3.79 0.00 1.82 1.01 -1.26 -3.33 121.20 123.85 2ksq s ILE 49 Ca 0.13 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.50 2ksq s ILE 49 Cb -0.21 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2ksq s ILE 49 CO -0.07 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.86 2ksq n GLY 50 N 1.52 0.37 3.09 6.18 0.00 -1.26 -4.89 105.19 110.20 2ksq n GLY 50 Ca -0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 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 0.54 -0.14 1.61 -0.71 -1.26 -1.80 117.98 116.21 2ksq s PHE 51 Ca 0.00 -0.97 -0.04 0.00 -1.04 0.00 0.00 56.93 54.88 2ksq s PHE 51 Cb 0.00 -0.38 0.06 0.00 -1.21 0.00 0.00 43.02 41.49 2ksq s PHE 51 CO 0.00 -0.32 0.15 -0.80 -1.34 0.00 0.00 175.22 172.91 2ksq s ASN 52 N -2.72 1.48 0.39 1.98 -0.87 -0.81 -4.91 114.94 109.47 2ksq s ASN 52 Ca 0.04 -0.16 -0.17 0.00 -1.57 0.00 0.00 52.86 51.00 2ksq s ASN 52 Cb 0.05 0.10 -0.10 0.00 -0.02 0.00 0.00 41.25 41.29 2ksq s ASN 52 CO -0.08 -0.30 0.84 0.54 -2.57 0.00 0.00 177.10 175.53 2ksq s VAL 53 N 2.24 4.56 -0.06 1.60 0.11 -1.26 0.44 120.40 128.02 2ksq s VAL 53 Ca 0.04 1.17 -0.03 0.00 -2.93 0.00 0.00 61.98 60.24 2ksq s VAL 53 Cb -0.14 -3.62 0.04 0.00 -1.53 0.00 0.00 36.38 31.12 2ksq s VAL 53 CO -0.08 -0.30 0.08 -1.61 -3.33 0.00 0.00 175.10 169.86 2ksq s GLU 54 N -3.19 -0.05 -0.38 1.54 0.41 -0.50 -4.93 118.70 111.60 2ksq s GLU 54 Ca 0.58 0.34 -0.21 0.00 -0.41 0.00 0.00 54.97 55.27 2ksq s GLU 54 Cb -0.10 -0.65 0.01 0.00 -1.78 0.00 0.00 34.13 31.61 2ksq s GLU 54 CO 0.17 -0.37 0.66 0.00 -0.49 0.00 0.00 175.26 175.23 2ksq s VAL 56 N 2.80 1.20 -0.10 0.00 1.01 -1.11 -5.05 120.40 119.14 2ksq s VAL 56 Ca 0.25 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2ksq s VAL 56 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 2ksq s VAL 56 CO 0.16 0.30 -0.11 -1.10 0.00 0.00 0.00 175.10 174.35 2ksq s GLN 57 N -0.47 3.12 -0.19 2.72 -1.52 -1.26 -1.38 119.66 120.69 2ksq s GLN 57 Ca 0.05 -0.64 -0.27 0.00 -1.95 0.00 0.00 55.36 52.55 2ksq s GLN 57 Cb -0.06 -2.61 0.08 0.00 -0.22 0.00 0.00 33.01 30.20 2ksq s GLN 57 CO -0.00 0.39 0.78 -0.47 -0.25 0.00 0.00 175.29 175.73 2ksq s TYR 58 N -0.10 -0.67 -1.25 0.91 5.04 0.21 -4.94 117.35 116.55 2ksq s TYR 58 Ca -0.01 1.44 -0.08 0.00 -2.44 0.00 0.00 57.07 55.99 2ksq s TYR 58 Cb -0.14 0.34 0.06 0.00 0.35 0.00 0.00 41.96 42.58 2ksq s TYR 58 CO 0.03 -0.43 0.44 0.00 -1.34 0.00 0.00 175.55 174.25 2ksq n ASN 60 N -2.24 0.00 -4.75 0.00 5.15 -1.26 -5.01 115.26 107.15 2ksq n ASN 60 Ca -0.03 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.73 2ksq n ASN 60 Cb 0.55 -0.09 -0.05 0.00 -0.53 0.00 0.00 39.78 39.65 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 -3.38 4.00 -0.41 -1.44 -4.36 0.17 -4.85 121.20 110.94 2ksq s ILE 61 Ca 0.00 -1.61 0.03 0.00 -0.26 0.00 0.00 60.65 58.81 2ksq s ILE 61 Cb 0.00 -3.17 0.11 0.00 1.25 0.00 0.00 42.46 40.65 2ksq s ILE 61 CO 0.00 -0.35 0.15 -0.55 0.24 0.00 0.00 174.94 174.43 2ksq s SER 62 N -3.78 4.38 0.04 4.36 0.15 0.69 0.64 113.70 120.19 2ksq s SER 62 Ca 0.33 -2.44 -0.23 0.00 0.70 0.00 0.00 55.95 54.31 2ksq s SER 62 Cb -0.07 -1.46 -0.06 0.00 -1.71 0.00 0.00 66.02 62.72 2ksq s SER 62 CO 0.23 -0.32 0.69 0.72 1.20 0.00 0.00 173.24 175.75 2ksq s PHE 63 N 0.53 3.74 -0.29 3.44 -0.71 -0.48 -2.68 117.98 121.52 2ksq s PHE 63 Ca 0.14 1.37 -0.11 0.00 -1.04 0.00 0.00 56.93 57.28 2ksq s PHE 63 Cb -0.22 -2.71 -0.04 0.00 -1.21 0.00 0.00 43.02 38.84 2ksq s PHE 63 CO -0.06 0.35 0.20 0.95 -1.34 0.00 0.00 175.22 175.31 2ksq s THR 64 N -0.29 5.27 -0.28 -4.49 -4.23 0.90 -2.76 115.64 109.77 2ksq s THR 64 Ca 0.35 0.07 0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2ksq s THR 64 Cb -0.20 -3.56 0.06 0.00 1.34 0.00 0.00 72.50 70.14 2ksq s THR 64 CO 0.21 0.19 -0.06 0.68 -0.54 0.00 0.00 174.62 175.10 2ksq s VAL 65 N 1.75 2.45 -0.14 2.29 -7.23 -0.82 0.11 120.40 118.81 2ksq s VAL 65 Ca 0.07 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.46 2ksq s VAL 65 Cb -0.16 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 2ksq s VAL 65 CO 0.11 -0.12 0.34 0.26 -0.31 0.00 0.00 175.10 175.39 2ksq s TRP 66 N 1.13 3.49 -0.38 2.82 0.52 -0.99 -1.41 118.94 124.12 2ksq s TRP 66 Ca -0.06 0.69 -0.06 0.00 0.02 0.00 0.00 56.10 56.69 2ksq s TRP 66 Cb -0.20 -2.39 0.07 0.00 -1.15 0.00 0.00 33.47 29.80 2ksq s TRP 66 CO -0.04 0.24 0.17 0.16 0.02 0.00 0.00 176.95 177.50 2ksq s ASP 67 N 0.42 5.37 -0.03 2.95 -4.77 0.17 0.11 116.67 120.89 2ksq s ASP 67 Ca 0.19 -1.49 -0.23 0.00 -3.30 0.00 0.00 52.55 47.73 2ksq s ASP 67 Cb -0.14 -1.89 -0.04 0.00 -1.09 0.00 0.00 42.92 39.76 2ksq s ASP 67 CO 0.06 -0.45 0.68 0.68 0.70 0.00 0.00 175.17 176.84 2ksq s VAL 68 N 1.34 4.97 0.00 2.11 -7.23 -0.86 -1.93 120.40 118.79 2ksq s VAL 68 Ca 0.02 1.42 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 2ksq s VAL 68 Cb -0.22 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.70 2ksq s VAL 68 CO 0.01 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 2ksq n GLY 69 N 2.84 0.70 7.00 2.32 0.00 -0.75 -4.52 105.19 112.79 2ksq n GLY 69 Ca -0.03 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 5.00 -0.02 0.00 -0.02 0.00 -1.26 -4.76 105.19 104.13 2ksq n GLY 70 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2ksq n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ksq n GLN 71 N -0.28 0.00 0.38 1.61 0.00 -1.26 -4.16 117.38 113.67 2ksq n GLN 71 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.00 56.82 2ksq n GLN 71 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.15 2ksq n GLN 71 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 2ksq h ASP 72 N 0.00 -0.93 -0.46 1.69 1.82 -1.94 0.52 116.42 117.13 2ksq h ASP 72 Ca 0.00 0.04 0.13 0.00 -0.39 0.00 0.00 57.03 56.82 2ksq h ASP 72 Cb 0.00 0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.25 2ksq h ASP 72 CO 0.00 -0.61 0.43 -0.09 -1.61 0.00 0.00 179.24 177.36 2ksq h ARG 73 N -0.99 0.00 0.00 0.28 2.43 -1.97 0.29 114.38 114.42 2ksq h ARG 73 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2ksq h ARG 73 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2ksq h ARG 73 CO 0.12 0.00 -1.11 -0.89 -1.51 0.00 0.00 179.97 176.58 2ksq n ILE 74 N -3.88 0.10 -0.24 1.20 2.08 -0.89 -4.42 119.36 113.30 2ksq n ILE 74 Ca 0.08 -0.20 0.05 0.00 0.56 0.00 0.00 62.75 63.24 2ksq n ILE 74 Cb 0.63 0.38 0.16 0.00 -0.75 0.00 0.00 39.64 40.05 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2ksq h ARG 75 N 0.00 0.15 -0.21 0.38 2.43 0.39 0.21 114.38 117.73 2ksq h ARG 75 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2ksq h ARG 75 Cb 0.69 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2ksq h ARG 75 CO 0.00 0.10 -0.48 0.77 -1.51 0.00 0.00 179.97 178.85 2ksq h SER 76 N 0.16 0.60 0.92 -3.80 0.02 -1.77 -2.81 113.55 106.87 2ksq h SER 76 Ca 0.40 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2ksq h SER 76 Cb 0.70 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2ksq h SER 76 CO -0.59 0.99 0.00 -0.07 -1.14 0.00 0.00 176.83 176.02 2ksq h LEU 77 N 0.44 0.00 -0.60 5.07 4.07 -1.10 -3.05 115.31 120.14 2ksq h LEU 77 Ca 0.02 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.85 2ksq h LEU 77 Cb 1.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 2ksq h LEU 77 CO 0.09 0.00 -0.35 -0.50 -1.08 0.00 0.00 178.44 176.60 2ksq h TRP 78 N 0.00 0.85 -0.85 1.13 6.55 -0.44 -2.92 115.95 120.28 2ksq h TRP 78 Ca 0.00 -0.23 -0.34 0.00 0.95 0.00 0.00 58.89 59.27 2ksq h TRP 78 Cb 0.46 -0.19 -0.20 0.00 -0.86 0.00 0.00 29.16 28.37 2ksq h TRP 78 CO 0.00 0.97 0.43 2.89 -1.05 0.00 0.00 178.44 181.68 2ksq n ARG 79 N -4.06 3.17 -0.01 0.49 1.85 -1.16 -3.35 116.66 113.60 2ksq n ARG 79 Ca -0.01 -3.04 -0.00 0.00 -1.00 0.00 0.00 57.85 53.79 2ksq n ARG 79 Cb 0.50 -2.21 -0.02 0.00 -1.05 0.00 0.00 32.46 29.68 2ksq n ARG 79 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2ksq n HIS 80 N -0.52 0.00 -1.42 2.89 -0.00 -1.11 -4.79 115.22 110.27 2ksq n HIS 80 Ca 0.48 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.67 2ksq n HIS 80 Cb 1.51 -0.11 0.01 0.00 -0.12 0.00 0.00 29.99 31.27 2ksq n HIS 80 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 2ksq n TYR 81 N -1.90 0.00 -0.25 1.57 4.19 -1.21 -4.87 117.16 114.68 2ksq n TYR 81 Ca -0.03 -0.07 0.16 0.00 3.31 0.00 0.00 57.90 61.26 2ksq n TYR 81 Cb 0.38 -0.03 0.45 0.00 0.49 0.00 0.00 39.34 40.63 2ksq n TYR 81 CO 0.00 0.00 0.00 0.10 0.91 0.00 0.00 176.86 177.87 2ksq h TYR 82 N 0.00 0.68 -2.48 2.98 -0.00 -1.80 -3.47 116.97 112.87 2ksq h TYR 82 Ca 0.00 0.02 0.21 0.00 -0.00 0.00 0.00 58.73 58.96 2ksq h TYR 82 Cb 1.16 -0.21 -0.05 0.00 -0.00 0.00 0.00 36.73 37.63 2ksq h TYR 82 CO 0.05 0.21 -0.28 0.00 -0.00 0.00 0.00 178.16 178.14 2ksq n ASN 84 N -3.79 2.00 -4.72 0.00 2.85 -1.26 -4.90 115.26 105.43 2ksq n ASN 84 Ca 0.01 -2.61 -0.40 0.00 -0.11 0.00 0.00 54.58 51.47 2ksq n ASN 84 Cb 0.35 -1.05 -0.05 0.00 1.24 0.00 0.00 39.78 40.27 2ksq n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2ksq s THR 85 N 7.57 4.96 0.02 -0.44 2.01 -1.25 -4.70 115.64 123.81 2ksq s THR 85 Ca 0.65 1.55 0.07 0.00 0.31 0.00 0.00 61.69 64.27 2ksq s THR 85 Cb 0.11 -4.08 -0.23 0.00 0.01 0.00 0.00 72.50 68.30 2ksq s THR 85 CO 0.20 0.27 0.92 -0.33 -0.69 0.00 0.00 174.62 174.99 2ksq h GLU 86 N 6.51 0.05 -3.99 4.92 3.07 0.62 -3.41 114.58 122.35 2ksq h GLU 86 Ca -0.42 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 58.23 2ksq h GLU 86 Cb 1.20 0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 29.03 2ksq h GLU 86 CO 0.74 0.81 -0.33 0.20 -1.40 0.00 0.00 179.01 179.03 2ksq s GLY 87 N -4.95 0.76 -0.07 -3.84 0.00 -0.17 -2.86 107.32 96.19 2ksq s GLY 87 Ca -0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 2ksq s GLY 87 CO 0.83 -0.91 0.06 0.14 0.00 0.00 0.00 173.10 173.22 2ksq s VAL 88 N -4.04 -0.07 -0.54 1.40 1.01 0.16 -1.13 120.40 117.21 2ksq s VAL 88 Ca 0.25 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 2ksq s VAL 88 Cb 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 36.19 2ksq s VAL 88 CO 0.07 0.08 0.78 -0.63 0.00 0.00 0.00 175.10 175.39 2ksq s ILE 89 N 2.15 4.64 -0.14 2.22 1.01 0.31 0.11 121.20 131.50 2ksq s ILE 89 Ca 0.04 -0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 2ksq s ILE 89 Cb -0.13 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 2ksq s ILE 89 CO -0.04 -0.99 0.47 0.12 0.00 0.00 0.00 174.94 174.50 2ksq s PHE 90 N 3.25 3.47 -0.34 3.97 2.19 0.19 -2.58 117.98 128.13 2ksq s PHE 90 Ca 0.21 0.83 -0.17 0.00 0.33 0.00 0.00 56.93 58.13 2ksq s PHE 90 Cb -0.17 -2.56 -0.01 0.00 -1.31 0.00 0.00 43.02 38.97 2ksq s PHE 90 CO 0.14 0.10 0.47 0.08 1.83 0.00 0.00 175.22 177.84 2ksq s VAL 91 N 0.89 5.06 -0.21 3.12 1.01 -0.93 -1.87 120.40 127.48 2ksq s VAL 91 Ca 0.24 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2ksq s VAL 91 Cb -0.15 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2ksq s VAL 91 CO 0.10 -0.16 -0.14 0.54 0.00 0.00 0.00 175.10 175.44 2ksq s VAL 92 N 2.28 2.33 0.17 2.92 0.11 -1.15 -4.35 120.40 122.71 2ksq s VAL 92 Ca 0.17 -1.07 -0.32 0.00 -2.93 0.00 0.00 61.98 57.83 2ksq s VAL 92 Cb -0.16 -2.11 -0.11 0.00 -1.53 0.00 0.00 36.38 32.48 2ksq s VAL 92 CO 0.13 0.35 1.68 1.51 -3.33 0.00 0.00 175.10 175.43 2ksq s ASP 93 N 1.27 6.48 -0.09 3.54 1.47 -1.26 0.29 116.67 128.36 2ksq s ASP 93 Ca 0.01 2.73 -0.08 0.00 1.18 0.00 0.00 52.55 56.39 2ksq s ASP 93 Cb -0.15 -2.59 -0.28 0.00 -0.34 0.00 0.00 42.92 39.56 2ksq s ASP 93 CO -0.09 -0.92 0.48 0.77 0.68 0.00 0.00 175.17 176.09 2ksq h SER 94 N 7.19 0.50 0.00 2.11 4.64 -0.85 -3.35 113.55 123.80 2ksq h SER 94 Ca -0.43 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.94 2ksq h SER 94 Cb 1.20 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2ksq h SER 94 CO 0.94 1.84 0.00 -3.20 -0.87 0.00 0.00 176.83 175.54 2ksq n ASN 95 N -3.53 0.00 -4.04 4.97 2.85 -1.25 -3.48 115.26 110.77 2ksq n ASN 95 Ca -0.29 -0.89 -0.34 0.00 -0.11 0.00 0.00 54.58 52.95 2ksq n ASN 95 Cb 1.06 -0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.99 2ksq n ASN 95 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2ksq s ASP 96 N -2.00 5.66 0.41 1.20 1.11 -1.26 -4.88 116.67 116.91 2ksq s ASP 96 Ca 0.43 -3.78 0.18 0.00 0.18 0.00 0.00 52.55 49.55 2ksq s ASP 96 Cb 0.20 -1.83 0.88 0.00 1.07 0.00 0.00 42.92 43.24 2ksq s ASP 96 CO 0.33 -0.15 1.86 0.08 1.18 0.00 0.00 175.17 178.47 2ksq h ARG 97 N 5.80 0.00 -0.44 8.23 0.11 -1.86 -2.85 114.38 123.37 2ksq h ARG 97 Ca 0.16 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.30 2ksq h ARG 97 Cb 0.79 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.82 2ksq h ARG 97 CO 0.82 0.31 0.14 1.03 0.10 0.00 0.00 179.97 182.37 2ksq h SER 98 N 0.00 0.12 0.00 0.08 0.87 -1.97 -2.18 113.55 110.47 2ksq h SER 98 Ca -0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ksq h SER 98 Cb 0.65 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2ksq h SER 98 CO 0.04 0.10 -0.03 0.54 -0.53 0.00 0.00 176.83 176.95 2ksq n ARG 99 N -5.03 1.74 -0.05 2.24 1.74 -1.18 -4.46 116.66 111.65 2ksq n ARG 99 Ca 0.04 -1.14 0.23 0.00 -0.77 0.00 0.00 57.85 56.20 2ksq n ARG 99 Cb 0.18 -1.48 0.49 0.00 -1.02 0.00 0.00 32.46 30.63 2ksq n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2ksq h ILE 100 N 2.79 0.09 0.02 0.55 6.09 -1.15 0.85 117.51 126.75 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 0.62 0.20 -0.04 0.00 0.47 0.00 0.00 36.82 38.07 2ksq h ILE 100 CO 0.00 0.00 -1.42 1.23 -3.07 0.00 0.00 178.15 174.89 2ksq h GLY 101 N 0.00 0.05 1.18 8.18 0.00 -1.79 -3.01 103.07 107.67 2ksq h GLY 101 Ca 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 2ksq h GLY 101 CO -0.00 0.11 0.32 -2.09 0.00 0.00 0.00 176.54 174.88 2ksq h GLU 102 N 0.01 1.05 -0.10 4.80 4.57 0.40 0.35 114.58 125.68 2ksq h GLU 102 Ca -0.18 -0.16 -0.23 0.00 -1.18 0.00 0.00 59.36 57.61 2ksq h GLU 102 Cb 1.92 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 30.34 2ksq h GLU 102 CO 0.11 0.83 -0.86 0.00 -1.18 0.00 0.00 179.01 177.92 2ksq h ALA 103 N 1.31 0.29 -0.01 2.92 0.00 -1.60 -1.30 119.26 120.87 2ksq h ALA 103 Ca 0.25 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ksq h ALA 103 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ksq h ALA 103 CO -0.03 0.70 -0.01 -0.09 0.00 0.00 0.00 179.25 179.83 2ksq h ARG 104 N 0.46 0.02 -0.34 0.00 1.12 -1.34 -2.71 114.38 111.59 2ksq h ARG 104 Ca -0.07 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.65 2ksq h ARG 104 Cb 1.49 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.44 2ksq h ARG 104 CO 0.17 0.47 -0.36 0.93 -3.11 0.00 0.00 179.97 178.07 2ksq h GLU 105 N -0.43 0.78 -0.43 0.20 5.08 -0.40 -2.88 114.58 116.50 2ksq h GLU 105 Ca 0.00 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2ksq h GLU 105 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ksq h GLU 105 CO 0.00 1.01 0.08 -0.24 -1.00 0.00 0.00 179.01 178.86 2ksq h VAL 106 N 0.65 1.20 -0.52 3.13 3.04 -1.30 -2.45 116.25 120.00 2ksq h VAL 106 Ca 0.06 -0.75 -0.04 0.00 -1.01 0.00 0.00 66.70 64.96 2ksq h VAL 106 Cb 0.90 0.80 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 2ksq h VAL 106 CO 0.08 0.27 0.16 -0.03 -1.01 0.00 0.00 177.57 177.04 2ksq h MET 107 N 0.63 0.81 -0.91 4.17 -1.53 -1.36 -2.82 114.93 113.92 2ksq h MET 107 Ca 0.14 -0.18 0.10 0.00 -3.44 0.00 0.00 59.70 56.32 2ksq h MET 107 Cb 0.28 -0.12 -0.08 0.00 -0.55 0.00 0.00 31.60 31.14 2ksq h MET 107 CO 0.00 0.75 0.55 1.96 0.14 0.00 0.00 176.91 180.32 2ksq h GLN 108 N 0.72 0.88 -0.80 0.39 1.08 -1.23 0.39 115.11 116.54 2ksq h GLN 108 Ca 0.17 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 2ksq h GLN 108 Cb 0.28 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 2ksq h GLN 108 CO -0.00 0.58 0.42 -0.09 -0.95 0.00 0.00 178.83 178.79 2ksq h ARG 109 N 0.91 1.13 -0.25 1.46 2.43 -1.31 0.77 114.38 119.50 2ksq h ARG 109 Ca 0.44 -0.14 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 2ksq h ARG 109 Cb 0.39 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2ksq h ARG 109 CO -0.25 0.84 -0.16 0.52 -1.51 0.00 0.00 179.97 179.42 2ksq h MET 110 N 1.12 0.55 0.00 0.20 2.86 -0.95 -2.80 114.93 115.91 2ksq h MET 110 Ca 0.28 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2ksq h MET 110 Cb 0.06 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 2ksq h MET 110 CO -0.04 0.83 -0.03 1.25 1.06 0.00 0.00 176.91 179.97 2ksq h LEU 111 N 0.27 0.00 -0.35 1.22 6.46 0.09 -2.94 115.31 120.06 2ksq h LEU 111 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2ksq h LEU 111 Cb 0.68 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2ksq h LEU 111 CO 0.04 0.03 -0.28 0.59 -0.62 0.00 0.00 178.44 178.20 2ksq n ASN 112 N -3.12 0.83 -4.75 1.25 3.02 0.26 -4.79 115.26 107.97 2ksq n ASN 112 Ca 0.01 -0.70 -0.40 0.00 -0.03 0.00 0.00 54.58 53.47 2ksq n ASN 112 Cb 0.38 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.62 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2ksq s GLU 113 N -2.61 4.58 0.35 3.52 2.02 -1.07 -4.95 118.70 120.55 2ksq s GLU 113 Ca 0.22 1.21 0.08 0.00 0.02 0.00 0.00 54.97 56.50 2ksq s GLU 113 Cb 0.19 -3.35 0.66 0.00 0.10 0.00 0.00 34.13 31.73 2ksq s GLU 113 CO 0.55 0.33 1.84 -0.44 0.02 0.00 0.00 175.26 177.56 2ksq h ASP 114 N 5.34 0.25 0.74 -0.19 5.19 -1.90 -1.64 116.42 124.21 2ksq h ASP 114 Ca -0.44 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2ksq h ASP 114 Cb 1.21 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2ksq h ASP 114 CO 0.70 0.48 0.00 -1.84 -3.12 0.00 0.00 179.24 175.46 2ksq n GLU 115 N -4.19 0.15 -0.12 3.56 0.00 -1.26 -2.79 120.64 115.98 2ksq n GLU 115 Ca -0.01 0.35 0.06 0.00 0.00 0.00 0.00 57.16 57.57 2ksq n GLU 115 Cb 0.34 -1.77 0.09 0.00 0.00 0.00 0.00 31.44 30.10 2ksq n GLU 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2ksq n LEU 116 N -2.04 1.83 0.00 -1.84 4.77 -0.69 -4.70 117.00 114.32 2ksq n LEU 116 Ca 0.03 -2.44 0.12 0.00 -0.03 0.00 0.00 56.01 53.69 2ksq n LEU 116 Cb 0.24 -0.27 0.67 0.00 -2.33 0.00 0.00 43.42 41.73 2ksq n LEU 116 CO 0.19 0.57 0.91 0.00 -1.33 0.00 0.00 177.39 177.74 2ksq n ASN 118 N -1.17 0.93 -4.87 0.00 6.94 -1.26 -5.01 115.26 110.82 2ksq n ASN 118 Ca 0.15 -0.96 -0.33 0.00 -0.02 0.00 0.00 54.58 53.41 2ksq n ASN 118 Cb 0.15 0.59 -0.05 0.00 -2.36 0.00 0.00 39.78 38.10 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ksq s ALA 119 N -1.32 3.69 0.73 -2.53 0.00 -1.10 -4.89 121.76 116.34 2ksq s ALA 119 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.57 2ksq s ALA 119 Cb 0.06 -2.30 0.07 0.00 0.00 0.00 0.00 23.12 20.96 2ksq s ALA 119 CO 0.23 0.57 1.06 0.00 0.00 0.00 0.00 175.76 177.62 2ksq s ALA 120 N -1.54 3.04 -0.33 0.00 0.00 -1.14 -4.87 121.76 116.92 2ksq s ALA 120 Ca 0.38 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 2ksq s ALA 120 Cb -0.13 -2.65 0.14 0.00 0.00 0.00 0.00 23.12 20.47 2ksq s ALA 120 CO 0.20 -1.42 0.25 -1.58 0.00 0.00 0.00 175.76 173.21 2ksq s TRP 121 N -3.33 0.14 -0.36 0.00 0.51 -1.08 -0.66 118.94 114.16 2ksq s TRP 121 Ca 0.61 -0.98 -0.15 0.00 -2.12 0.00 0.00 56.10 53.46 2ksq s TRP 121 Cb -0.10 -0.69 -0.01 0.00 -0.81 0.00 0.00 33.47 31.86 2ksq s TRP 121 CO 0.46 -0.89 0.32 -1.17 -0.51 0.00 0.00 176.95 175.17 2ksq s LEU 122 N 1.62 4.60 -0.06 2.99 0.20 0.31 -2.63 118.68 125.71 2ksq s LEU 122 Ca 0.14 -0.43 -0.07 0.00 0.69 0.00 0.00 54.13 54.46 2ksq s LEU 122 Cb -0.18 -2.26 -0.04 0.00 -0.43 0.00 0.00 46.19 43.28 2ksq s LEU 122 CO -0.14 -0.35 0.21 0.68 -0.29 0.00 0.00 176.35 176.46 2ksq s VAL 123 N 1.89 5.39 -0.17 1.68 -7.23 0.17 0.55 120.40 122.69 2ksq s VAL 123 Ca 0.09 0.22 -0.02 0.00 -1.81 0.00 0.00 61.98 60.46 2ksq s VAL 123 Cb -0.17 -3.50 0.05 0.00 0.56 0.00 0.00 36.38 33.32 2ksq s VAL 123 CO 0.11 0.51 0.01 -0.36 -0.31 0.00 0.00 175.10 175.07 2ksq s PHE 124 N -1.15 1.09 -0.38 2.82 0.40 -0.78 -1.09 117.98 118.89 2ksq s PHE 124 Ca 0.21 -0.78 -0.27 0.00 -0.60 0.00 0.00 56.93 55.49 2ksq s PHE 124 Cb -0.13 -1.04 -0.06 0.00 0.51 0.00 0.00 43.02 42.30 2ksq s PHE 124 CO 0.10 -0.56 2.34 0.00 0.70 0.00 0.00 175.22 177.80 2ksq n ALA 125 N 5.03 1.20 -1.67 5.36 0.00 0.90 -2.93 120.51 128.39 2ksq n ALA 125 Ca -0.09 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 2ksq n ALA 125 Cb 0.48 -3.09 0.07 0.00 0.00 0.00 0.00 19.45 16.91 2ksq n ALA 125 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ksq s ASN 126 N 10.63 4.90 -1.75 0.00 -0.87 0.15 -2.72 114.94 125.28 2ksq s ASN 126 Ca 1.00 1.27 0.00 0.00 -1.57 0.00 0.00 52.86 53.55 2ksq s ASN 126 Cb -0.25 -2.04 0.00 0.00 -0.02 0.00 0.00 41.25 38.95 2ksq s ASN 126 CO 0.30 -1.71 0.00 0.29 -2.57 0.00 0.00 177.10 173.41 2ksq n LYS 127 N -3.26 -1.23 0.26 -0.60 4.01 -1.26 -0.18 118.16 115.91 2ksq n LYS 127 Ca 0.07 1.05 0.10 0.00 -0.51 0.00 0.00 58.31 59.02 2ksq n LYS 127 Cb 0.56 -5.32 0.69 0.00 -0.51 0.00 0.00 35.03 30.45 2ksq n LYS 127 CO 0.00 0.00 0.00 0.37 -1.11 0.00 0.00 177.40 176.66 2ksq h GLN 128 N 0.00 0.00 0.00 1.97 5.75 -1.62 -1.30 115.11 119.91 2ksq h GLN 128 Ca -0.36 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.13 2ksq h GLN 128 Cb 1.16 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 2ksq h GLN 128 CO 0.51 0.07 -0.02 0.38 -2.65 0.00 0.00 178.83 177.12 2ksq h ASP 129 N 0.00 0.00 -3.51 -0.69 3.04 -1.89 -3.41 116.42 109.96 2ksq h ASP 129 Ca -0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2ksq h ASP 129 Cb 0.15 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 38.51 2ksq h ASP 129 CO 0.01 0.02 0.77 -0.76 -2.04 0.00 0.00 179.24 177.24 2ksq s LEU 130 N -6.30 4.38 0.53 0.15 1.43 -0.49 -4.88 118.68 113.50 2ksq s LEU 130 Ca -0.01 2.77 0.33 0.00 -1.03 0.00 0.00 54.13 56.18 2ksq s LEU 130 Cb 0.11 -3.63 1.49 0.00 0.03 0.00 0.00 46.19 44.18 2ksq s LEU 130 CO 0.51 -0.74 1.84 -0.65 0.23 0.00 0.00 176.35 177.55 2ksq h PRO 131 N 4.52 0.03 -0.74 1.29 0.11 -1.89 0.49 132.00 135.82 2ksq h PRO 131 Ca -0.47 -0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 2ksq h PRO 131 Cb 1.22 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 2ksq h PRO 131 CO 0.75 0.02 0.33 0.39 -0.21 0.00 0.00 178.00 179.27 2ksq n GLU 132 N -4.25 2.97 -1.98 1.05 1.02 -1.26 -5.00 120.64 113.19 2ksq n GLU 132 Ca 0.22 -3.07 -0.42 0.00 -0.02 0.00 0.00 57.16 53.88 2ksq n GLU 132 Cb 1.08 -2.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.12 3.70 0.43 0.62 0.00 0.17 -4.60 121.76 118.96 2ksq s ALA 133 Ca 0.54 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.59 2ksq s ALA 133 Cb 0.44 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 2ksq s ALA 133 CO 0.11 -0.76 1.28 1.41 0.00 0.00 0.00 175.76 177.80 2ksq s MET 134 N 0.42 3.86 0.75 0.00 1.75 -1.23 -4.95 119.30 119.91 2ksq s MET 134 Ca 0.65 2.08 -0.11 0.00 -1.25 0.00 0.00 55.69 57.06 2ksq s MET 134 Cb -0.43 -2.65 0.04 0.00 2.84 0.00 0.00 34.83 34.63 2ksq s MET 134 CO 0.37 -0.56 1.08 -1.54 -0.65 0.00 0.00 175.02 173.72 2ksq s SER 135 N -0.88 4.89 0.23 1.11 1.04 -1.26 -4.90 113.70 113.93 2ksq s SER 135 Ca 0.59 1.46 -0.04 0.00 0.48 0.00 0.00 55.95 58.44 2ksq s SER 135 Cb -0.36 -2.26 0.22 0.00 0.10 0.00 0.00 66.02 63.72 2ksq s SER 135 CO 0.46 -1.73 1.69 0.00 0.98 0.00 0.00 173.24 174.64 2ksq h ALA 136 N -0.92 0.97 -0.55 5.32 0.00 -1.99 -2.50 119.26 119.59 2ksq h ALA 136 Ca -0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 2ksq h ALA 136 Cb 1.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2ksq h ALA 136 CO 0.58 0.62 0.32 0.00 0.00 0.00 0.00 179.25 180.76 2ksq h ALA 137 N 1.14 1.52 0.00 0.00 0.00 -1.98 0.62 119.26 120.56 2ksq h ALA 137 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2ksq h ALA 137 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ksq h ALA 137 CO 0.03 0.41 -0.04 0.93 0.00 0.00 0.00 179.25 180.58 2ksq h GLU 138 N 0.76 0.02 -0.40 0.00 4.39 -1.89 -2.24 114.58 115.23 2ksq h GLU 138 Ca 0.20 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2ksq h GLU 138 Cb -0.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2ksq h GLU 138 CO -0.04 0.85 0.15 0.82 -1.16 0.00 0.00 179.01 179.63 2ksq h ILE 139 N -0.79 1.16 0.16 3.13 2.04 -1.38 -1.39 117.51 120.44 2ksq h ILE 139 Ca -0.01 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 2ksq h ILE 139 Cb 0.86 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2ksq h ILE 139 CO 0.01 0.19 -0.08 0.71 0.00 0.00 0.00 178.15 178.98 2ksq h THR 140 N 0.56 0.98 0.34 -0.27 1.35 -0.94 -2.57 112.91 112.35 2ksq h THR 140 Ca 0.14 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 2ksq h THR 140 Cb 0.13 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 2ksq h THR 140 CO -0.01 0.19 -0.25 -0.33 -0.25 0.00 0.00 175.52 174.87 2ksq h GLU 141 N -0.65 -0.57 -0.55 4.72 4.39 -1.22 -1.87 114.58 118.83 2ksq h GLU 141 Ca -0.02 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.83 2ksq h GLU 141 Cb 0.48 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2ksq h GLU 141 CO 0.04 -0.38 0.38 0.87 -1.16 0.00 0.00 179.01 178.75 2ksq h LYS 142 N -0.59 0.26 -0.01 2.33 1.79 -1.36 0.18 116.57 119.17 2ksq h LYS 142 Ca -0.03 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2ksq h LYS 142 Cb 0.51 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2ksq h LYS 142 CO -0.00 0.17 0.00 1.28 -1.08 0.00 0.00 179.45 179.82 2ksq n LEU 143 N -4.45 0.36 -2.49 2.94 4.77 -0.97 -4.90 117.00 112.27 2ksq n LEU 143 Ca 0.09 -0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.75 2ksq n LEU 143 Cb 0.43 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2ksq n LEU 143 CO 0.35 0.06 -0.12 0.61 -1.33 0.00 0.00 177.39 176.96 2ksq n GLY 144 N 1.01 -0.42 0.31 -0.72 0.00 0.63 -4.89 105.19 101.10 2ksq n GLY 144 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.65 0.83 -0.95 0.99 5.85 -1.55 -0.80 115.31 119.04 2ksq h LEU 145 Ca -0.47 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 2ksq h LEU 145 Cb 1.34 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2ksq h LEU 145 CO 0.53 0.56 -0.48 1.12 -0.34 0.00 0.00 178.44 179.83 2ksq h HIS 146 N 0.97 0.00 0.00 1.25 2.07 -1.90 -2.85 115.15 114.68 2ksq h HIS 146 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 2ksq h HIS 146 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 2ksq h HIS 146 CO -0.03 0.48 -0.27 0.45 -3.07 0.00 0.00 177.93 175.49 2ksq n SER 147 N -3.76 0.42 -4.36 3.10 2.88 -0.77 -4.71 113.62 106.41 2ksq n SER 147 Ca -0.01 0.22 -0.40 0.00 -1.33 0.00 0.00 58.87 57.34 2ksq n SER 147 Cb 0.53 -0.20 -0.11 0.00 -0.75 0.00 0.00 64.21 63.68 2ksq n SER 147 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ksq s ILE 148 N -3.05 4.50 -0.06 2.46 1.01 -0.38 -4.89 121.20 120.79 2ksq s ILE 148 Ca 0.11 -0.90 0.22 0.00 0.00 0.00 0.00 60.65 60.08 2ksq s ILE 148 Cb 0.16 -3.52 0.43 0.00 0.01 0.00 0.00 42.46 39.54 2ksq s ILE 148 CO 0.63 -0.24 1.18 -1.14 0.00 0.00 0.00 174.94 175.37 2ksq n ARG 149 N 4.98 0.48 0.00 2.79 3.00 -1.26 -4.77 116.66 121.88 2ksq n ARG 149 Ca -0.12 -2.39 0.02 0.00 -0.00 0.00 0.00 57.85 55.36 2ksq n ARG 149 Cb 0.46 -0.48 -0.01 0.00 0.00 0.00 0.00 32.46 32.43 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ksq n ASN 150 N 0.04 0.57 -3.81 6.15 4.13 -1.26 -5.01 115.26 116.07 2ksq n ASN 150 Ca 0.10 -0.78 -0.14 0.00 1.68 0.00 0.00 54.58 55.43 2ksq n ASN 150 Cb 1.02 0.67 -0.15 0.00 -1.54 0.00 0.00 39.78 39.78 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2ksq s ARG 151 N -1.02 -0.00 -0.65 3.52 1.81 -1.26 -5.10 118.95 116.25 2ksq s ARG 151 Ca 0.03 0.11 -0.26 0.00 -1.72 0.00 0.00 55.73 53.89 2ksq s ARG 151 Cb 0.03 -0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 2ksq s ARG 151 CO 0.12 -0.10 1.99 -1.25 -0.68 0.00 0.00 175.30 175.38 2ksq s PRO 152 N 0.68 2.48 -0.05 3.54 0.04 -1.26 -4.93 135.00 135.49 2ksq s PRO 152 Ca -0.06 0.59 -0.07 0.00 0.04 0.00 0.00 61.00 61.50 2ksq s PRO 152 Cb -0.08 -4.55 0.02 0.00 0.04 0.00 0.00 34.50 29.92 2ksq s PRO 152 CO -0.02 -3.01 0.19 1.67 0.04 0.00 0.00 177.00 175.87 2ksq s TRP 153 N 10.03 -0.16 0.08 0.56 1.48 -1.26 -2.62 118.94 127.06 2ksq s TRP 153 Ca 0.74 0.37 0.03 0.00 -1.06 0.00 0.00 56.10 56.18 2ksq s TRP 153 Cb -0.12 0.05 -0.03 0.00 -1.16 0.00 0.00 33.47 32.20 2ksq s TRP 153 CO 0.17 -0.15 -0.09 -0.06 -4.06 0.00 0.00 176.95 172.76 2ksq s PHE 154 N -0.27 0.93 -0.08 1.66 0.08 -1.08 -5.00 117.98 114.22 2ksq s PHE 154 Ca -0.04 -0.64 0.05 0.00 0.12 0.00 0.00 56.93 56.42 2ksq s PHE 154 Cb -0.03 -0.53 -0.01 0.00 -0.57 0.00 0.00 43.02 41.89 2ksq s PHE 154 CO 0.01 -0.05 -0.24 -1.50 -0.10 0.00 0.00 175.22 173.34 2ksq s ILE 155 N -2.27 2.07 -0.01 0.64 2.07 -1.25 0.46 121.20 122.90 2ksq s ILE 155 Ca 0.02 -1.04 0.02 0.00 -1.41 0.00 0.00 60.65 58.24 2ksq s ILE 155 Cb -0.04 -1.76 -0.00 0.00 0.13 0.00 0.00 42.46 40.78 2ksq s ILE 155 CO -0.01 0.57 -0.08 -1.58 -1.91 0.00 0.00 174.94 171.93 2ksq s GLN 156 N 0.07 0.71 -0.37 3.50 2.00 -0.25 -4.99 119.66 120.33 2ksq s GLN 156 Ca -0.11 -0.27 -0.23 0.00 -2.00 0.00 0.00 55.36 52.75 2ksq s GLN 156 Cb -0.16 -0.69 0.01 0.00 0.80 0.00 0.00 33.01 32.98 2ksq s GLN 156 CO 0.06 0.14 0.77 0.00 -0.50 0.00 0.00 175.29 175.76 2ksq s ALA 157 N -0.04 3.42 0.26 1.58 0.00 -1.26 -0.07 121.76 125.64 2ksq s ALA 157 Ca 0.01 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.29 2ksq s ALA 157 Cb -0.05 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2ksq s ALA 157 CO -0.00 -1.51 0.04 -0.08 0.00 0.00 0.00 175.76 174.22 2ksq s THR 158 N 3.08 0.88 -0.29 0.00 -1.32 -1.10 -4.87 115.64 112.02 2ksq s THR 158 Ca 0.30 -2.01 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2ksq s THR 158 Cb -0.13 -2.53 0.09 0.00 -1.51 0.00 0.00 72.50 68.42 2ksq s THR 158 CO 0.17 -0.15 0.05 0.00 -2.21 0.00 0.00 174.62 172.48 2ksq h ALA 160 N 7.98 0.74 -0.91 0.00 0.00 -1.92 0.88 119.26 126.02 2ksq h ALA 160 Ca -0.13 -0.54 0.22 0.00 0.00 0.00 0.00 54.91 54.46 2ksq h ALA 160 Cb 1.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2ksq h ALA 160 CO 0.46 0.71 0.61 1.79 0.00 0.00 0.00 179.25 182.82 2ksq h THR 161 N 0.31 0.65 0.00 0.00 1.35 -1.94 -2.84 112.91 110.43 2ksq h THR 161 Ca -0.00 -0.12 -0.28 0.00 -0.55 0.00 0.00 66.41 65.45 2ksq h THR 161 Cb 1.13 0.26 -0.05 0.00 -1.73 0.00 0.00 68.15 67.76 2ksq h THR 161 CO 0.10 0.07 -2.06 -1.20 -0.25 0.00 0.00 175.52 172.18 2ksq n SER 162 N -4.49 2.49 0.00 5.36 7.64 -1.16 -4.70 113.62 118.75 2ksq n SER 162 Ca 0.20 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2ksq n SER 162 Cb 0.75 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 2.58 0.85 3.76 0.23 0.00 0.30 -4.96 105.19 107.95 2ksq n GLY 163 Ca -0.33 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 2ksq n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksq s GLU 164 N -0.66 4.47 0.00 1.61 0.41 -0.97 -3.01 118.70 120.55 2ksq s GLU 164 Ca 0.00 2.04 0.00 0.00 -0.41 0.00 0.00 54.97 56.60 2ksq s GLU 164 Cb 0.00 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.22 2ksq s GLU 164 CO 0.00 -0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 2ksq n GLY 165 N 1.14 3.08 0.28 -1.39 0.00 -1.26 -2.47 105.19 104.57 2ksq n GLY 165 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 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 0.87 -0.39 0.99 4.07 -1.88 -2.80 115.31 116.17 2ksq h LEU 166 Ca 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 2ksq h LEU 166 Cb 0.00 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.50 2ksq h LEU 166 CO 0.00 0.78 0.18 1.88 -1.08 0.00 0.00 178.44 180.20 2ksq h TYR 167 N 0.90 0.57 -1.00 1.13 -1.99 -1.90 -2.85 116.97 111.84 2ksq h TYR 167 Ca 0.22 -0.03 0.08 0.00 2.00 0.00 0.00 58.73 61.00 2ksq h TYR 167 Cb 0.16 -0.17 -0.07 0.00 2.00 0.00 0.00 36.73 38.65 2ksq h TYR 167 CO 0.01 0.49 0.64 0.93 -0.00 0.00 0.00 178.16 180.22 2ksq h GLU 168 N 0.49 1.08 -0.78 4.88 5.08 -1.92 -2.07 114.58 121.33 2ksq h GLU 168 Ca 0.13 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2ksq h GLU 168 Cb 0.14 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 2ksq h GLU 168 CO -0.02 0.71 0.52 0.78 -1.00 0.00 0.00 179.01 180.00 2ksq h GLY 169 N 1.11 1.11 0.64 -3.84 0.00 -1.26 -2.63 103.07 98.20 2ksq h GLY 169 Ca 0.45 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.42 2ksq h GLY 169 CO -0.20 0.39 0.07 -2.00 0.00 0.00 0.00 176.54 174.79 2ksq h LEU 170 N 1.04 0.02 -1.72 3.11 6.46 -1.27 -1.70 115.31 121.26 2ksq h LEU 170 Ca 0.29 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.14 2ksq h LEU 170 Cb -0.10 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 2ksq h LEU 170 CO -0.07 0.05 0.26 -0.33 -0.62 0.00 0.00 178.44 177.73 2ksq h GLU 171 N 0.18 0.35 -0.02 1.25 5.08 -1.30 -0.67 114.58 119.44 2ksq h GLU 171 Ca 0.15 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2ksq h GLU 171 Cb 0.15 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2ksq h GLU 171 CO -0.19 0.23 -0.02 -1.49 -1.00 0.00 0.00 179.01 176.54 2ksq h TRP 172 N 0.36 0.07 0.34 4.33 -0.00 -0.99 -2.39 115.95 117.67 2ksq h TRP 172 Ca 0.16 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.01 2ksq h TRP 172 Cb 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 29.34 2ksq h TRP 172 CO -0.00 0.52 -0.16 1.25 -0.00 0.00 0.00 178.44 180.04 2ksq h LEU 173 N -0.40 -0.39 -1.89 -4.49 5.85 -1.03 -2.63 115.31 110.33 2ksq h LEU 173 Ca 0.00 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.79 2ksq h LEU 173 Cb 0.51 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2ksq h LEU 173 CO 0.01 -0.13 0.44 -1.28 -0.34 0.00 0.00 178.44 177.13 2ksq h SER 174 N -0.64 0.10 0.48 1.25 0.87 -1.23 0.28 113.55 114.66 2ksq h SER 174 Ca -0.05 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.37 2ksq h SER 174 Cb 0.46 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2ksq h SER 174 CO 0.08 0.05 -0.66 0.78 -0.53 0.00 0.00 176.83 176.55 2ksq h ASN 175 N 0.11 0.19 0.51 6.23 2.35 -1.20 -2.28 115.58 121.47 2ksq h ASN 175 Ca 0.30 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2ksq h ASN 175 Cb 1.05 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 2ksq h ASN 175 CO -0.03 0.79 -0.39 0.00 -1.65 0.00 0.00 177.43 176.14 2ksq n LEU 177 N -3.89 1.41 -0.31 0.00 7.99 -1.16 -4.53 117.00 116.50 2ksq n LEU 177 Ca -0.01 0.41 -0.04 0.00 -0.01 0.00 0.00 56.01 56.35 2ksq n LEU 177 Cb 0.45 -0.74 0.08 0.00 -0.11 0.00 0.00 43.42 43.10 2ksq n LEU 177 CO 0.38 -0.41 1.15 0.11 -1.51 0.00 0.00 177.39 177.11 2ksq h LYS 178 N -0.76 1.17 -6.89 3.23 1.79 -1.57 -3.47 116.57 110.08 2ksq h LYS 178 Ca 0.00 -0.13 -0.45 0.00 -2.18 0.00 0.00 60.65 57.88 2ksq h LYS 178 Cb 0.55 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2ksq h LYS 178 CO 0.00 0.86 -0.82 -1.71 -1.08 0.00 0.00 179.45 176.70 2ksq n ASN 179 N -4.39 -3.34 -4.27 0.86 5.15 -0.14 -4.93 115.26 104.20 2ksq n ASN 179 Ca 0.08 -0.96 -0.35 0.00 -0.60 0.00 0.00 54.58 52.76 2ksq n ASN 179 Cb 0.09 -1.23 -0.14 0.00 -0.53 0.00 0.00 39.78 37.97 2ksq n ASN 179 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2ksq s SER 180 N -3.56 4.12 0.00 1.20 0.15 -1.26 -5.09 113.70 109.26 2ksq s SER 180 Ca 0.28 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2ksq s SER 180 Cb -0.16 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2ksq s SER 180 CO 0.75 -0.03 0.00 0.41 1.20 0.00 0.00 173.24 175.57