#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 -0.01 -0.16 0.99 3.38 -2.05 -2.10 115.31 115.36 2ksq h LEU 3 Ca 0.00 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 2ksq h LEU 3 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ksq h LEU 3 CO 0.00 0.46 -0.15 0.15 0.09 0.00 0.00 178.44 178.99 2ksq h PHE 4 N -0.49 0.46 0.46 1.13 3.57 -2.06 -2.88 116.94 117.13 2ksq h PHE 4 Ca -0.00 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 2ksq h PHE 4 Cb 0.48 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2ksq h PHE 4 CO 0.09 0.76 -0.43 0.00 -2.23 0.00 0.00 178.31 176.50 2ksq h ALA 5 N 0.62 -0.96 -0.55 2.41 0.00 -2.01 -1.17 119.26 117.60 2ksq h ALA 5 Ca 0.03 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.94 2ksq h ALA 5 Cb 0.68 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2ksq h ALA 5 CO 0.04 -1.08 0.44 0.77 0.00 0.00 0.00 179.25 179.42 2ksq h SER 6 N -0.89 0.00 0.02 0.00 0.02 -1.46 -1.21 113.55 110.02 2ksq h SER 6 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2ksq h SER 6 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2ksq h SER 6 CO -0.05 0.00 -0.01 0.11 -1.14 0.00 0.00 176.83 175.74 2ksq h LYS 7 N 0.00 -0.03 -0.49 3.45 1.79 -1.13 -2.84 116.57 117.33 2ksq h LYS 7 Ca 0.26 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.88 2ksq h LYS 7 Cb 1.13 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 2ksq h LYS 7 CO -0.00 0.56 0.40 -0.07 -1.08 0.00 0.00 179.45 179.26 2ksq h LEU 8 N -0.64 0.00 -0.27 2.94 4.07 -0.05 0.39 115.31 121.75 2ksq h LEU 8 Ca -0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 2ksq h LEU 8 Cb 0.60 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 2ksq h LEU 8 CO 0.00 0.00 -0.88 0.15 -1.08 0.00 0.00 178.44 176.63 2ksq h PHE 9 N 0.00 0.13 -0.07 1.13 3.04 -1.39 -3.05 116.94 116.74 2ksq h PHE 9 Ca 0.23 -0.08 -0.19 0.00 3.98 0.00 0.00 57.97 61.91 2ksq h PHE 9 Cb 1.03 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.53 2ksq h PHE 9 CO 0.00 0.92 -0.76 1.03 -2.02 0.00 0.00 178.31 177.48 2ksq h SER 10 N 0.04 0.50 1.01 0.41 0.87 -0.04 -2.75 113.55 113.60 2ksq h SER 10 Ca -0.03 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 2ksq h SER 10 Cb 1.53 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2ksq h SER 10 CO 0.12 1.09 -0.13 0.78 -0.53 0.00 0.00 176.83 178.16 2ksq h ASN 11 N 0.27 0.00 0.45 6.23 2.35 -1.21 -2.29 115.58 121.38 2ksq h ASN 11 Ca -0.04 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.41 2ksq h ASN 11 Cb 1.35 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.71 2ksq h ASN 11 CO 0.13 0.13 -1.50 0.25 -1.65 0.00 0.00 177.43 174.78 2ksq h LEU 12 N 0.00 0.43 -0.31 1.61 5.85 -1.43 -0.87 115.31 120.58 2ksq h LEU 12 Ca -0.00 -0.57 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2ksq h LEU 12 Cb 0.67 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2ksq h LEU 12 CO 0.02 1.47 0.00 -0.26 -0.34 0.00 0.00 178.44 179.32 2ksq h PHE 13 N 0.07 0.00 0.00 1.25 -1.00 -1.40 -3.37 116.94 112.50 2ksq h PHE 13 Ca -0.23 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.38 2ksq h PHE 13 Cb 2.02 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.56 2ksq h PHE 13 CO 0.07 0.00 -1.45 0.41 -1.61 0.00 0.00 178.31 175.73 2ksq n GLY 14 N 0.88 -0.43 5.21 -1.45 0.00 -0.87 -4.97 105.19 103.55 2ksq n GLY 14 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ksq n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ksq n ASN 15 N -4.20 0.00 -3.19 1.61 4.05 -0.33 -2.77 115.26 110.42 2ksq n ASN 15 Ca -0.26 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.47 2ksq n ASN 15 Cb 0.60 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.57 2ksq n ASN 15 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2ksq n LYS 16 N 0.00 3.52 -4.27 1.20 2.85 -1.26 -4.73 118.16 115.47 2ksq n LYS 16 Ca 0.00 -4.79 -0.18 0.00 -1.05 0.00 0.00 58.31 52.30 2ksq n LYS 16 Cb 0.00 -2.29 -0.13 0.00 -0.65 0.00 0.00 35.03 31.95 2ksq n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ksq s GLU 17 N -3.39 0.73 0.02 -1.58 2.02 -1.11 -2.93 118.70 112.45 2ksq s GLU 17 Ca 0.45 -0.57 0.08 0.00 0.02 0.00 0.00 54.97 54.95 2ksq s GLU 17 Cb 0.23 -0.68 -0.02 0.00 0.10 0.00 0.00 34.13 33.76 2ksq s GLU 17 CO -0.10 0.17 -0.25 1.41 0.02 0.00 0.00 175.26 176.51 2ksq s MET 18 N -0.86 1.82 -0.19 1.61 1.75 -1.08 -4.89 119.30 117.45 2ksq s MET 18 Ca -0.00 -1.00 -0.06 0.00 -1.25 0.00 0.00 55.69 53.38 2ksq s MET 18 Cb -0.06 -1.89 -0.03 0.00 2.84 0.00 0.00 34.83 35.68 2ksq s MET 18 CO 0.00 0.50 0.03 0.50 -0.65 0.00 0.00 175.02 175.41 2ksq s ARG 19 N -0.98 3.78 0.17 4.11 6.06 -1.26 -1.43 118.95 129.41 2ksq s ARG 19 Ca 0.10 -0.44 0.10 0.00 -2.50 0.00 0.00 55.73 52.99 2ksq s ARG 19 Cb -0.10 -3.15 -0.04 0.00 0.06 0.00 0.00 34.95 31.72 2ksq s ARG 19 CO 0.01 0.12 -0.22 0.42 -2.50 0.00 0.00 175.30 173.13 2ksq s ILE 20 N 0.76 2.11 -0.00 4.11 -1.09 0.30 -1.02 121.20 126.37 2ksq s ILE 20 Ca 0.02 -1.92 0.03 0.00 -2.23 0.00 0.00 60.65 56.54 2ksq s ILE 20 Cb -0.14 -1.96 -0.01 0.00 -1.58 0.00 0.00 42.46 38.77 2ksq s ILE 20 CO 0.02 -0.16 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.27 2ksq s LEU 21 N -2.54 2.04 -0.15 2.97 2.96 -0.72 -2.65 118.68 120.59 2ksq s LEU 21 Ca 0.17 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2ksq s LEU 21 Cb -0.08 -0.44 0.03 0.00 0.50 0.00 0.00 46.19 46.20 2ksq s LEU 21 CO 0.08 0.09 -0.09 -0.04 -1.32 0.00 0.00 176.35 175.07 2ksq s MET 22 N -0.32 1.80 0.27 1.98 -1.94 0.27 0.12 119.30 121.48 2ksq s MET 22 Ca 0.03 -0.51 -0.07 0.00 -1.71 0.00 0.00 55.69 53.43 2ksq s MET 22 Cb -0.04 -1.99 -0.01 0.00 2.01 0.00 0.00 34.83 34.80 2ksq s MET 22 CO -0.00 -0.33 0.40 0.14 -0.01 0.00 0.00 175.02 175.22 2ksq s VAL 23 N 1.57 0.00 0.00 -6.03 -7.23 -1.13 -2.73 120.40 104.86 2ksq s VAL 23 Ca 0.03 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2ksq s VAL 23 Cb -0.14 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2ksq s VAL 23 CO -0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 2ksq n GLY 24 N -0.42 -0.68 3.52 2.32 0.00 -1.26 -2.84 105.19 105.83 2ksq n GLY 24 Ca -0.00 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 2ksq n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksq s LEU 25 N 0.00 2.70 0.00 0.99 1.02 -1.26 -4.88 118.68 117.26 2ksq s LEU 25 Ca 0.00 -1.10 0.21 0.00 0.02 0.00 0.00 54.13 53.25 2ksq s LEU 25 Cb 0.00 -1.08 1.23 0.00 0.02 0.00 0.00 46.19 46.36 2ksq s LEU 25 CO 0.00 -0.10 1.74 -0.90 0.02 0.00 0.00 176.35 177.11 2ksq n ASP 26 N -0.74 0.00 0.00 2.29 5.75 -1.25 -3.38 116.55 119.22 2ksq n ASP 26 Ca -0.05 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 2ksq n ASP 26 Cb 0.62 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 0.71 -0.25 0.11 6.12 0.00 -1.26 -4.84 105.19 105.78 2ksq n GLY 27 Ca 0.16 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 -0.17 0.00 4.61 0.00 -1.90 -3.48 119.26 118.32 2ksq h ALA 28 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ksq h ALA 28 Cb 0.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ksq h ALA 28 CO 0.00 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.14 2ksq n GLY 29 N -0.77 0.95 0.13 0.00 0.00 -1.26 -4.73 105.19 99.50 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 0.17 -0.32 1.61 1.57 -1.90 -2.84 116.57 114.86 2ksq h LYS 30 Ca 0.00 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.46 2ksq h LYS 30 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ksq h LYS 30 CO 0.00 0.91 -0.38 1.15 -0.57 0.00 0.00 179.45 180.56 2ksq h THR 31 N 0.10 1.29 -0.21 -0.16 2.02 -1.90 -2.21 112.91 111.83 2ksq h THR 31 Ca -0.03 -1.55 -0.11 0.00 0.77 0.00 0.00 66.41 65.48 2ksq h THR 31 Cb 1.45 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.30 2ksq h THR 31 CO 0.13 0.51 -0.31 0.74 0.37 0.00 0.00 175.52 176.95 2ksq h THR 32 N 0.62 1.33 -0.15 3.16 2.02 -1.93 -2.73 112.91 115.23 2ksq h THR 32 Ca 0.05 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.69 2ksq h THR 32 Cb 0.93 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2ksq h THR 32 CO 0.08 0.47 -0.04 1.62 0.37 0.00 0.00 175.52 178.02 2ksq h VAL 33 N 0.26 1.29 -0.18 3.16 3.04 -1.53 -2.28 116.25 120.02 2ksq h VAL 33 Ca 0.02 -1.01 -0.03 0.00 -1.01 0.00 0.00 66.70 64.67 2ksq h VAL 33 Cb 0.89 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 2ksq h VAL 33 CO 0.07 0.29 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.82 2ksq h LEU 34 N -0.02 0.24 -0.29 3.16 4.07 -1.49 -2.21 115.31 118.78 2ksq h LEU 34 Ca 0.04 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 2ksq h LEU 34 Cb 0.47 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2ksq h LEU 34 CO 0.02 0.32 -0.87 1.88 -1.08 0.00 0.00 178.44 178.70 2ksq h TYR 35 N 0.26 0.18 -0.12 1.13 0.05 -1.43 -1.93 116.97 115.11 2ksq h TYR 35 Ca 0.06 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 2ksq h TYR 35 Cb 0.24 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 2ksq h TYR 35 CO 0.00 0.93 -0.11 0.87 -1.05 0.00 0.00 178.16 178.80 2ksq h LYS 36 N 0.06 0.29 0.00 4.88 1.79 -0.89 0.83 116.57 123.53 2ksq h LYS 36 Ca -0.03 -0.15 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 2ksq h LYS 36 Cb 1.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.15 2ksq h LYS 36 CO 0.13 0.68 -0.31 1.25 -1.08 0.00 0.00 179.45 180.12 2ksq h LEU 37 N -0.10 0.00 0.11 2.94 6.46 -1.50 0.93 115.31 124.15 2ksq h LEU 37 Ca 0.02 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.42 2ksq h LEU 37 Cb 0.63 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2ksq h LEU 37 CO 0.03 0.31 -1.98 1.17 -0.62 0.00 0.00 178.44 177.34 2ksq n LYS 38 N -3.36 0.74 -0.00 1.25 0.00 -0.73 -4.48 118.16 111.58 2ksq n LYS 38 Ca 0.01 0.26 0.08 0.00 0.00 0.00 0.00 58.31 58.66 2ksq n LYS 38 Cb 0.52 -1.71 -0.11 0.00 0.00 0.00 0.00 35.03 33.73 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 -3.42 0.34 0.00 3.14 7.94 0.29 -4.96 117.00 120.33 2ksq n LEU 39 Ca -0.30 -0.23 0.00 0.00 -1.11 0.00 0.00 56.01 54.37 2ksq n LEU 39 Cb 1.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 45.00 2ksq n LEU 39 CO 0.43 0.08 0.00 0.61 -1.11 0.00 0.00 177.39 177.40 2ksq n GLY 40 N 1.49 0.65 2.99 -3.96 0.00 0.32 -4.99 105.19 101.70 2ksq n GLY 40 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.32 0.40 -0.11 1.61 0.41 -1.25 -4.99 118.70 114.45 2ksq s GLU 41 Ca 0.00 -0.46 -0.27 0.00 -0.41 0.00 0.00 54.97 53.83 2ksq s GLU 41 Cb 0.00 -0.23 -0.02 0.00 -1.78 0.00 0.00 34.13 32.10 2ksq s GLU 41 CO 0.00 0.05 0.87 0.08 -0.49 0.00 0.00 175.26 175.77 2ksq s VAL 42 N -0.82 4.89 0.42 2.63 1.01 -1.26 -4.22 120.40 123.04 2ksq s VAL 42 Ca -0.06 1.76 0.05 0.00 0.00 0.00 0.00 61.98 63.73 2ksq s VAL 42 Cb -0.06 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2ksq s VAL 42 CO -0.00 0.09 0.03 0.27 0.00 0.00 0.00 175.10 175.48 2ksq s ILE 43 N 1.67 1.50 -0.23 2.22 -5.25 -1.26 -5.10 121.20 114.76 2ksq s ILE 43 Ca 0.43 -2.00 -0.29 0.00 -0.99 0.00 0.00 60.65 57.80 2ksq s ILE 43 Cb -0.18 -2.69 -0.01 0.00 2.95 0.00 0.00 42.46 42.53 2ksq s ILE 43 CO 0.17 0.00 1.36 0.28 -1.79 0.00 0.00 174.94 174.96 2ksq s THR 44 N -2.91 4.09 -0.18 8.37 -1.32 -1.26 -4.97 115.64 117.45 2ksq s THR 44 Ca 0.27 1.26 -0.07 0.00 -1.21 0.00 0.00 61.69 61.94 2ksq s THR 44 Cb 0.07 -3.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.03 2ksq s THR 44 CO 0.13 -0.31 0.04 0.28 -2.21 0.00 0.00 174.62 172.56 2ksq s THR 45 N 4.20 4.64 0.35 5.08 -1.32 -1.26 -5.10 115.64 122.22 2ksq s THR 45 Ca 0.59 -0.09 0.09 0.00 -1.21 0.00 0.00 61.69 61.07 2ksq s THR 45 Cb -0.21 -3.08 -0.05 0.00 -1.51 0.00 0.00 72.50 67.66 2ksq s THR 45 CO 0.22 0.47 0.07 0.27 -2.21 0.00 0.00 174.62 173.43 2ksq s ILE 46 N 0.33 2.72 -0.18 5.08 -4.36 -1.26 -5.06 121.20 118.47 2ksq s ILE 46 Ca 0.02 -1.86 -0.31 0.00 -0.26 0.00 0.00 60.65 58.24 2ksq s ILE 46 Cb -0.13 -2.87 -0.08 0.00 1.25 0.00 0.00 42.46 40.63 2ksq s ILE 46 CO 0.01 -0.18 2.11 -2.65 0.24 0.00 0.00 174.94 174.47 2ksq n PRO 47 N -1.04 1.97 -3.00 0.37 -0.02 -1.26 -4.93 135.00 127.10 2ksq n PRO 47 Ca -0.04 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.65 2ksq n PRO 47 Cb 0.62 -2.93 -0.05 0.00 -0.02 0.00 0.00 33.50 31.12 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 6.70 4.94 -1.00 3.45 2.01 -1.26 -5.00 115.64 125.47 2ksq s THR 48 Ca 0.99 1.40 -0.08 0.00 0.31 0.00 0.00 61.69 64.32 2ksq s THR 48 Cb -0.53 -4.04 0.25 0.00 0.01 0.00 0.00 72.50 68.20 2ksq s THR 48 CO 0.42 0.04 0.96 -0.63 -0.69 0.00 0.00 174.62 174.72 2ksq s ILE 49 N 2.20 5.48 0.00 1.82 -1.09 -1.26 -1.93 121.20 126.42 2ksq s ILE 49 Ca 0.33 -3.36 0.00 0.00 -2.23 0.00 0.00 60.65 55.38 2ksq s ILE 49 Cb -0.16 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 2ksq s ILE 49 CO 0.10 -1.13 0.00 0.61 -1.23 0.00 0.00 174.94 173.30 2ksq n GLY 50 N 2.84 0.28 3.32 6.18 0.00 -1.26 -5.05 105.19 111.50 2ksq n GLY 50 Ca 0.21 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2ksq n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ksq s PHE 51 N -2.58 1.83 -0.13 1.61 0.40 -1.26 -2.99 117.98 114.86 2ksq s PHE 51 Ca 0.00 -0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 55.85 2ksq s PHE 51 Cb 0.00 -0.95 0.05 0.00 0.51 0.00 0.00 43.02 42.63 2ksq s PHE 51 CO 0.00 0.28 0.08 1.21 0.70 0.00 0.00 175.22 177.49 2ksq s ASN 52 N -2.34 1.97 0.21 1.36 3.84 -0.94 -4.99 114.94 114.05 2ksq s ASN 52 Ca 0.12 -0.40 -0.03 0.00 0.21 0.00 0.00 52.86 52.77 2ksq s ASN 52 Cb -0.08 -0.22 -0.05 0.00 -0.55 0.00 0.00 41.25 40.36 2ksq s ASN 52 CO 0.06 -0.32 0.43 0.54 -2.79 0.00 0.00 177.10 175.02 2ksq s VAL 53 N 2.14 5.15 -0.08 -5.21 0.11 -1.26 -0.18 120.40 121.06 2ksq s VAL 53 Ca 0.03 -0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 58.87 2ksq s VAL 53 Cb -0.15 -3.71 0.04 0.00 -1.53 0.00 0.00 36.38 31.03 2ksq s VAL 53 CO -0.07 -0.17 0.10 -1.61 -3.33 0.00 0.00 175.10 170.02 2ksq s GLU 54 N -3.25 -0.01 -0.37 1.54 0.41 -0.03 -4.97 118.70 112.01 2ksq s GLU 54 Ca 0.40 0.32 -0.18 0.00 -0.41 0.00 0.00 54.97 55.11 2ksq s GLU 54 Cb -0.11 -0.75 0.00 0.00 -1.78 0.00 0.00 34.13 31.50 2ksq s GLU 54 CO 0.28 -0.41 0.50 0.00 -0.49 0.00 0.00 175.26 175.14 2ksq s VAL 56 N 2.35 1.20 -0.24 0.00 -7.23 -1.01 -5.01 120.40 110.46 2ksq s VAL 56 Ca 0.17 -0.75 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 2ksq s VAL 56 Cb -0.16 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 2ksq s VAL 56 CO 0.14 0.26 0.24 -1.10 -0.31 0.00 0.00 175.10 174.33 2ksq s GLN 57 N -0.57 4.08 -0.08 4.82 -1.52 -1.26 -1.36 119.66 123.77 2ksq s GLN 57 Ca 0.05 -0.13 -0.03 0.00 -1.95 0.00 0.00 55.36 53.30 2ksq s GLN 57 Cb -0.06 -3.56 0.04 0.00 -0.22 0.00 0.00 33.01 29.21 2ksq s GLN 57 CO -0.00 -0.01 0.12 0.71 -0.25 0.00 0.00 175.29 175.85 2ksq s TYR 58 N 1.27 -0.06 -1.37 0.91 1.51 0.91 -4.87 117.35 115.65 2ksq s TYR 58 Ca 0.11 0.36 -0.07 0.00 -1.01 0.00 0.00 57.07 56.46 2ksq s TYR 58 Cb -0.14 -0.39 0.03 0.00 -0.11 0.00 0.00 41.96 41.34 2ksq s TYR 58 CO 0.06 -0.28 1.03 0.00 -1.11 0.00 0.00 175.55 175.25 2ksq n ASN 60 N -3.00 0.00 -4.87 0.00 5.15 -1.26 -5.00 115.26 106.28 2ksq n ASN 60 Ca -0.08 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.65 2ksq n ASN 60 Cb 0.59 -0.53 -0.04 0.00 -0.53 0.00 0.00 39.78 39.26 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 -3.28 4.85 -0.73 -1.44 1.01 -0.12 -4.88 121.20 116.61 2ksq s ILE 61 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 2ksq s ILE 61 Cb 0.00 -3.53 0.19 0.00 0.01 0.00 0.00 42.46 39.12 2ksq s ILE 61 CO 0.00 -0.18 0.58 -0.55 0.00 0.00 0.00 174.94 174.79 2ksq s SER 62 N -3.40 5.63 -0.14 3.58 0.15 -1.15 -0.06 113.70 118.31 2ksq s SER 62 Ca 0.33 -3.07 -0.29 0.00 0.70 0.00 0.00 55.95 53.61 2ksq s SER 62 Cb -0.10 -1.92 -0.01 0.00 -1.71 0.00 0.00 66.02 62.29 2ksq s SER 62 CO 0.26 -0.34 1.07 -0.36 1.20 0.00 0.00 173.24 175.07 2ksq s PHE 63 N -0.39 3.35 -0.36 3.44 0.08 -0.47 -2.63 117.98 121.01 2ksq s PHE 63 Ca 0.20 1.44 -0.12 0.00 0.12 0.00 0.00 56.93 58.58 2ksq s PHE 63 Cb -0.16 -3.28 0.01 0.00 -0.57 0.00 0.00 43.02 39.02 2ksq s PHE 63 CO -0.06 -0.61 0.22 0.95 -0.10 0.00 0.00 175.22 175.62 2ksq s THR 64 N 2.51 4.85 -0.32 0.64 -4.23 -0.51 -2.39 115.64 116.19 2ksq s THR 64 Ca 0.49 -0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 2ksq s THR 64 Cb -0.19 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 70.07 2ksq s THR 64 CO 0.15 -0.13 0.09 -0.69 -0.54 0.00 0.00 174.62 173.50 2ksq s VAL 65 N 1.63 3.83 -0.22 2.29 1.01 -0.74 0.11 120.40 128.31 2ksq s VAL 65 Ca 0.04 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 2ksq s VAL 65 Cb -0.18 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2ksq s VAL 65 CO 0.08 -0.05 0.11 0.86 0.00 0.00 0.00 175.10 176.10 2ksq s TRP 66 N 1.44 3.27 -0.20 5.22 -0.11 -1.08 -0.85 118.94 126.63 2ksq s TRP 66 Ca 0.00 0.09 0.01 0.00 1.22 0.00 0.00 56.10 57.42 2ksq s TRP 66 Cb -0.18 -2.20 0.04 0.00 -1.50 0.00 0.00 33.47 29.63 2ksq s TRP 66 CO 0.02 0.05 -0.12 0.16 -4.62 0.00 0.00 176.95 172.45 2ksq s ASP 67 N 0.87 3.38 0.27 5.86 -4.77 0.74 0.97 116.67 123.99 2ksq s ASP 67 Ca 0.06 -0.86 -0.23 0.00 -3.30 0.00 0.00 52.55 48.21 2ksq s ASP 67 Cb -0.13 -1.27 -0.09 0.00 -1.09 0.00 0.00 42.92 40.33 2ksq s ASP 67 CO 0.03 -0.13 0.83 -0.69 0.70 0.00 0.00 175.17 175.91 2ksq s VAL 68 N 1.37 4.39 0.00 2.11 1.01 -1.10 -2.22 120.40 125.96 2ksq s VAL 68 Ca -0.01 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2ksq s VAL 68 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.27 2ksq s VAL 68 CO -0.09 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.82 2ksq n GLY 69 N 0.70 1.62 0.00 4.51 0.00 -1.16 -4.85 105.19 106.01 2ksq n GLY 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.74 -2.48 0.00 -0.02 0.00 -0.81 -3.86 105.19 100.75 2ksq n GLY 70 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.28 0.00 0.38 1.61 0.00 -1.26 -4.38 117.38 112.46 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 -0.81 -0.05 1.69 1.82 -1.97 1.08 116.42 118.19 2ksq h ASP 72 Ca 0.00 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2ksq h ASP 72 Cb 0.00 0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 2ksq h ASP 72 CO 0.00 -0.55 0.21 0.08 -1.61 0.00 0.00 179.24 177.36 2ksq h ARG 73 N -1.00 0.00 -0.04 0.28 -0.00 -2.02 -0.76 114.38 110.85 2ksq h ARG 73 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.88 2ksq h ARG 73 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.71 2ksq h ARG 73 CO 0.16 0.00 0.00 -0.89 -0.00 0.00 0.00 179.97 179.24 2ksq n ILE 74 N -3.15 0.25 -0.35 0.08 5.41 -1.03 -4.69 119.36 115.89 2ksq n ILE 74 Ca -0.01 -0.63 0.08 0.00 1.00 0.00 0.00 62.75 63.19 2ksq n ILE 74 Cb 0.28 0.94 0.25 0.00 -0.71 0.00 0.00 39.64 40.39 2ksq n ILE 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2ksq h ARG 75 N 0.77 0.86 -0.17 0.38 2.43 0.28 0.23 114.38 119.16 2ksq h ARG 75 Ca 0.00 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2ksq h ARG 75 Cb 0.27 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2ksq h ARG 75 CO 0.00 0.57 -0.32 0.77 -1.51 0.00 0.00 179.97 179.48 2ksq h SER 76 N 0.88 0.36 0.80 -3.80 0.02 -1.84 -2.60 113.55 107.37 2ksq h SER 76 Ca 0.50 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2ksq h SER 76 Cb 0.59 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2ksq h SER 76 CO -0.30 0.66 -0.05 0.25 -1.14 0.00 0.00 176.83 176.25 2ksq h LEU 77 N 0.30 0.00 -2.19 5.07 5.85 -1.27 -2.96 115.31 120.11 2ksq h LEU 77 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2ksq h LEU 77 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2ksq h LEU 77 CO 0.05 0.05 0.04 -0.50 -0.34 0.00 0.00 178.44 177.74 2ksq h TRP 78 N 0.00 0.00 -0.21 1.25 4.06 -1.03 -0.87 115.95 119.15 2ksq h TRP 78 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2ksq h TRP 78 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 2ksq h TRP 78 CO 0.00 0.00 0.00 2.89 -3.56 0.00 0.00 178.44 177.77 2ksq n ARG 79 N -2.69 2.03 -0.30 0.49 1.85 -1.12 -3.54 116.66 113.39 2ksq n ARG 79 Ca -0.02 -0.99 0.07 0.00 -1.00 0.00 0.00 57.85 55.91 2ksq n ARG 79 Cb 0.09 -1.55 0.22 0.00 -1.05 0.00 0.00 32.46 30.17 2ksq n ARG 79 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2ksq n HIS 80 N 0.21 0.74 0.03 2.89 8.25 -0.33 -4.61 115.22 122.40 2ksq n HIS 80 Ca 0.09 -0.58 0.22 0.00 -0.26 0.00 0.00 57.72 57.19 2ksq n HIS 80 Cb 0.43 -0.10 0.66 0.00 1.12 0.00 0.00 29.99 32.10 2ksq n HIS 80 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2ksq h TYR 81 N 2.49 0.00 0.00 4.41 0.05 -1.78 -3.44 116.97 118.70 2ksq h TYR 81 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2ksq h TYR 81 Cb 0.98 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.72 2ksq h TYR 81 CO 0.38 0.00 0.00 0.98 -1.05 0.00 0.00 178.16 178.47 2ksq n TYR 82 N -3.51 0.00 -2.49 4.88 9.36 -1.26 -4.64 117.16 119.50 2ksq n TYR 82 Ca 0.11 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.31 2ksq n TYR 82 Cb 0.86 -0.03 -0.02 0.00 -0.63 0.00 0.00 39.34 39.52 2ksq n TYR 82 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2ksq n ASN 84 N 1.91 0.00 -4.65 0.00 2.85 -1.26 -5.12 115.26 108.98 2ksq n ASN 84 Ca -0.16 0.00 -0.48 0.00 -0.11 0.00 0.00 54.58 53.83 2ksq n ASN 84 Cb 0.25 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.22 2ksq n ASN 84 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2ksq n THR 85 N 0.00 0.52 0.04 -0.44 -2.24 -1.26 -4.60 114.28 106.30 2ksq n THR 85 Ca 0.00 -0.15 0.06 0.00 -2.27 0.00 0.00 64.05 61.68 2ksq n THR 85 Cb 0.00 -1.91 -0.07 0.00 -2.10 0.00 0.00 70.33 66.24 2ksq n THR 85 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ksq n GLU 86 N 7.02 0.63 -3.68 -0.78 1.02 -0.19 -4.71 120.64 119.95 2ksq n GLU 86 Ca 0.25 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.33 2ksq n GLU 86 Cb 0.30 -1.74 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 2ksq n GLU 86 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2ksq s GLY 87 N -4.63 -0.01 -0.25 0.62 0.00 -0.87 -3.01 107.32 99.17 2ksq s GLY 87 Ca -0.03 0.69 -0.08 0.00 0.00 0.00 0.00 44.72 45.30 2ksq s GLY 87 CO 0.82 1.58 0.08 0.14 0.00 0.00 0.00 173.10 175.72 2ksq s VAL 88 N 2.04 4.40 -0.17 1.40 1.01 -0.76 -1.75 120.40 126.57 2ksq s VAL 88 Ca -0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 2ksq s VAL 88 Cb -0.12 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2ksq s VAL 88 CO -0.07 0.33 0.39 -0.63 0.00 0.00 0.00 175.10 175.13 2ksq s ILE 89 N 1.63 5.23 -0.17 2.22 1.01 0.32 -0.94 121.20 130.49 2ksq s ILE 89 Ca 0.06 0.73 -0.07 0.00 0.00 0.00 0.00 60.65 61.38 2ksq s ILE 89 Cb -0.15 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2ksq s ILE 89 CO 0.04 0.31 0.05 0.12 0.00 0.00 0.00 174.94 175.46 2ksq s PHE 90 N 0.88 3.23 -0.16 3.97 2.19 0.27 -2.84 117.98 125.51 2ksq s PHE 90 Ca 0.20 0.04 -0.15 0.00 0.33 0.00 0.00 56.93 57.35 2ksq s PHE 90 Cb -0.14 -2.04 -0.04 0.00 -1.31 0.00 0.00 43.02 39.48 2ksq s PHE 90 CO 0.07 0.17 0.35 0.54 1.83 0.00 0.00 175.22 178.18 2ksq s VAL 91 N 0.25 5.26 -0.12 3.12 0.11 -1.13 -1.70 120.40 126.19 2ksq s VAL 91 Ca 0.03 0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 59.73 2ksq s VAL 91 Cb -0.12 -3.69 0.04 0.00 -1.53 0.00 0.00 36.38 31.07 2ksq s VAL 91 CO 0.01 0.35 -0.01 0.54 -3.33 0.00 0.00 175.10 172.66 2ksq s VAL 92 N 0.65 0.59 0.16 2.04 0.11 -1.16 -4.57 120.40 118.23 2ksq s VAL 92 Ca 0.19 -0.20 -0.32 0.00 -2.93 0.00 0.00 61.98 58.73 2ksq s VAL 92 Cb -0.14 -0.82 -0.11 0.00 -1.53 0.00 0.00 36.38 33.79 2ksq s VAL 92 CO 0.06 0.14 1.68 -1.81 -3.33 0.00 0.00 175.10 171.84 2ksq s ASP 93 N 1.87 6.49 -0.03 3.54 1.01 -1.26 -0.17 116.67 128.11 2ksq s ASP 93 Ca 0.03 2.71 -0.06 0.00 0.71 0.00 0.00 52.55 55.94 2ksq s ASP 93 Cb -0.14 -2.59 -0.29 0.00 1.01 0.00 0.00 42.92 40.92 2ksq s ASP 93 CO -0.07 -0.92 0.71 0.28 0.21 0.00 0.00 175.17 175.39 2ksq h SER 94 N 7.31 0.47 0.21 0.27 0.02 -1.27 -3.34 113.55 117.22 2ksq h SER 94 Ca -0.43 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 59.79 2ksq h SER 94 Cb 1.20 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2ksq h SER 94 CO 0.94 1.62 -0.09 -3.20 -1.14 0.00 0.00 176.83 174.95 2ksq n ASN 95 N -3.50 0.73 -4.02 3.07 4.05 -1.26 -2.73 115.26 111.61 2ksq n ASN 95 Ca -0.22 -0.89 -0.38 0.00 0.45 0.00 0.00 54.58 53.54 2ksq n ASN 95 Cb 1.06 -0.01 -0.04 0.00 1.23 0.00 0.00 39.78 42.02 2ksq n ASN 95 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2ksq n ASP 96 N -0.65 4.85 0.21 1.20 9.92 -1.25 -4.85 116.55 125.98 2ksq n ASP 96 Ca 0.16 -3.23 0.07 0.00 -0.53 0.00 0.00 54.79 51.26 2ksq n ASP 96 Cb 0.28 -1.09 0.49 0.00 -0.64 0.00 0.00 41.12 40.16 2ksq n ASP 96 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2ksq h ARG 97 N 5.68 0.00 -0.44 -1.24 1.12 -1.84 -2.52 114.38 115.13 2ksq h ARG 97 Ca 0.18 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 59.11 2ksq h ARG 97 Cb 0.75 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.66 2ksq h ARG 97 CO 0.99 0.27 0.14 1.03 -3.11 0.00 0.00 179.97 179.29 2ksq h SER 98 N 0.00 0.13 0.03 -3.80 0.87 -1.98 -2.41 113.55 106.39 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 0.58 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2ksq h SER 98 CO 0.04 0.10 -0.17 0.54 -0.53 0.00 0.00 176.83 176.81 2ksq n ARG 99 N -5.03 1.60 -0.11 2.24 1.74 -1.18 -4.48 116.66 111.44 2ksq n ARG 99 Ca 0.04 -1.18 0.25 0.00 -0.77 0.00 0.00 57.85 56.19 2ksq n ARG 99 Cb 0.18 -1.48 0.53 0.00 -1.02 0.00 0.00 32.46 30.68 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 2.88 0.11 0.03 0.55 1.08 -0.97 0.87 117.51 122.05 2ksq h ILE 100 Ca 0.00 0.00 -0.25 0.00 -0.39 0.00 0.00 64.86 64.22 2ksq h ILE 100 Cb 0.72 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2ksq h ILE 100 CO 0.00 0.00 -1.29 1.23 -0.69 0.00 0.00 178.15 177.40 2ksq h GLY 101 N 0.00 0.07 1.26 5.37 0.00 -1.78 -2.99 103.07 104.99 2ksq h GLY 101 Ca 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2ksq h GLY 101 CO -0.00 0.15 0.38 0.83 0.00 0.00 0.00 176.54 177.90 2ksq h GLU 102 N 0.02 0.97 -0.09 4.80 4.39 0.46 0.33 114.58 125.45 2ksq h GLU 102 Ca -0.13 -0.10 -0.22 0.00 0.34 0.00 0.00 59.36 59.25 2ksq h GLU 102 Cb 1.89 -0.20 0.01 0.00 -0.10 0.00 0.00 28.75 30.35 2ksq h GLU 102 CO 0.13 0.72 -0.81 0.00 -1.16 0.00 0.00 179.01 177.88 2ksq h ALA 103 N 1.44 0.39 0.16 3.43 0.00 -1.59 -1.52 119.26 121.58 2ksq h ALA 103 Ca 0.25 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2ksq h ALA 103 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ksq h ALA 103 CO -0.04 0.73 -0.08 -0.09 0.00 0.00 0.00 179.25 179.77 2ksq h ARG 104 N 0.40 -0.21 -0.43 0.00 1.12 -1.26 -2.29 114.38 111.72 2ksq h ARG 104 Ca -0.06 0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.73 2ksq h ARG 104 Cb 1.43 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 31.42 2ksq h ARG 104 CO 0.15 0.15 -0.13 0.93 -3.11 0.00 0.00 179.97 177.97 2ksq h GLU 105 N -0.62 0.78 -0.30 0.20 5.08 -0.46 -2.73 114.58 116.53 2ksq h GLU 105 Ca -0.02 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 2ksq h GLU 105 Cb 0.46 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2ksq h GLU 105 CO 0.04 0.87 -0.22 -0.24 -1.00 0.00 0.00 179.01 178.45 2ksq h VAL 106 N 0.70 1.26 -0.12 3.13 3.04 -1.33 -2.93 116.25 120.00 2ksq h VAL 106 Ca 0.12 -1.26 -0.00 0.00 -1.01 0.00 0.00 66.70 64.54 2ksq h VAL 106 Cb 0.61 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2ksq h VAL 106 CO 0.04 0.41 0.06 -0.03 -1.01 0.00 0.00 177.57 177.04 2ksq h MET 107 N 0.51 0.18 -0.98 4.17 1.85 -1.22 -2.66 114.93 116.78 2ksq h MET 107 Ca 0.08 -0.03 0.16 0.00 -0.61 0.00 0.00 59.70 59.30 2ksq h MET 107 Cb 0.66 -0.03 -0.09 0.00 0.43 0.00 0.00 31.60 32.57 2ksq h MET 107 CO 0.05 0.24 0.61 0.37 -0.40 0.00 0.00 176.91 177.78 2ksq h GLN 108 N 0.07 0.79 -0.76 0.39 -0.00 -1.35 0.39 115.11 114.63 2ksq h GLN 108 Ca 0.04 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.59 2ksq h GLN 108 Cb 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.40 2ksq h GLN 108 CO -0.00 0.52 0.27 -0.09 0.00 0.00 0.00 178.83 179.52 2ksq h ARG 109 N 0.81 1.17 -0.17 1.69 9.65 -1.31 0.50 114.38 126.71 2ksq h ARG 109 Ca 0.52 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 59.09 2ksq h ARG 109 Cb 0.74 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 2ksq h ARG 109 CO -0.29 0.97 -0.17 1.98 2.80 0.00 0.00 179.97 185.26 2ksq h MET 110 N 1.12 0.42 0.00 0.20 4.05 -0.57 -2.94 114.93 117.20 2ksq h MET 110 Ca 0.25 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 2ksq h MET 110 Cb 0.27 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2ksq h MET 110 CO -0.01 0.78 0.00 1.25 0.23 0.00 0.00 176.91 179.16 2ksq h LEU 111 N 0.07 0.00 -0.56 3.39 6.46 -0.11 -2.71 115.31 121.85 2ksq h LEU 111 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2ksq h LEU 111 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2ksq h LEU 111 CO 0.04 0.00 -0.18 -3.20 -0.62 0.00 0.00 178.44 174.49 2ksq n ASN 112 N -3.01 1.04 -4.72 1.25 5.15 0.17 -4.78 115.26 110.37 2ksq n ASN 112 Ca 0.01 -0.98 -0.41 0.00 -0.60 0.00 0.00 54.58 52.60 2ksq n ASN 112 Cb 0.33 0.07 -0.04 0.00 -0.53 0.00 0.00 39.78 39.61 2ksq n ASN 112 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2ksq s GLU 113 N -2.38 4.51 0.44 1.20 2.02 -1.02 -4.94 118.70 118.53 2ksq s GLU 113 Ca 0.28 1.15 0.13 0.00 0.02 0.00 0.00 54.97 56.56 2ksq s GLU 113 Cb 0.20 -3.43 0.97 0.00 0.10 0.00 0.00 34.13 31.97 2ksq s GLU 113 CO 0.47 0.08 2.00 0.38 0.02 0.00 0.00 175.26 178.21 2ksq h ASP 114 N 6.46 0.08 0.55 -0.19 3.04 -1.89 -1.23 116.42 123.24 2ksq h ASP 114 Ca -0.42 -0.01 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 0.74 0.22 0.00 -0.62 -2.04 0.00 0.00 179.24 177.54 2ksq n GLU 115 N -4.35 0.12 -0.80 4.15 -0.58 -1.26 -2.92 120.64 115.00 2ksq n GLU 115 Ca -0.02 0.39 0.04 0.00 -0.42 0.00 0.00 57.16 57.15 2ksq n GLU 115 Cb 0.22 -1.74 0.07 0.00 -0.57 0.00 0.00 31.44 29.43 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 -1.96 1.31 0.00 -4.62 7.99 -0.52 -4.79 117.00 114.42 2ksq n LEU 116 Ca 0.02 -2.31 0.11 0.00 -0.01 0.00 0.00 56.01 53.82 2ksq n LEU 116 Cb 0.18 -0.18 0.60 0.00 -0.11 0.00 0.00 43.42 43.91 2ksq n LEU 116 CO 0.16 0.66 0.87 0.00 -1.51 0.00 0.00 177.39 177.57 2ksq n ASN 118 N -1.21 1.98 -4.89 0.00 5.15 -1.26 -5.01 115.26 110.01 2ksq n ASN 118 Ca 0.12 -1.54 -0.32 0.00 -0.60 0.00 0.00 54.58 52.24 2ksq n ASN 118 Cb 0.15 -0.05 -0.05 0.00 -0.53 0.00 0.00 39.78 39.31 2ksq n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ksq s ALA 119 N -0.77 3.81 1.00 5.20 0.00 -1.10 -4.90 121.76 125.00 2ksq s ALA 119 Ca 0.12 -0.57 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 2ksq s ALA 119 Cb 0.07 -2.11 0.19 0.00 0.00 0.00 0.00 23.12 21.28 2ksq s ALA 119 CO 0.11 0.67 1.17 0.00 0.00 0.00 0.00 175.76 177.71 2ksq s ALA 120 N -1.56 1.55 -0.41 0.00 0.00 -1.16 -4.75 121.76 115.42 2ksq s ALA 120 Ca 0.37 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2ksq s ALA 120 Cb -0.13 -2.94 0.19 0.00 0.00 0.00 0.00 23.12 20.24 2ksq s ALA 120 CO 0.23 -2.67 0.41 0.91 0.00 0.00 0.00 175.76 174.64 2ksq n TRP 121 N -4.03 -1.00 -3.06 0.00 8.01 -0.92 -1.82 117.44 114.62 2ksq n TRP 121 Ca 0.10 -3.24 -0.42 0.00 -1.31 0.00 0.00 57.50 52.63 2ksq n TRP 121 Cb 0.59 0.20 -0.06 0.00 -2.01 0.00 0.00 31.31 30.03 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 -0.21 4.27 -0.04 -0.99 0.20 -0.12 -2.75 118.68 119.04 2ksq s LEU 122 Ca 0.33 0.08 -0.11 0.00 0.69 0.00 0.00 54.13 55.12 2ksq s LEU 122 Cb 0.07 -2.85 -0.05 0.00 -0.43 0.00 0.00 46.19 42.94 2ksq s LEU 122 CO -0.17 -0.69 0.29 0.68 -0.29 0.00 0.00 176.35 176.17 2ksq s VAL 123 N 2.88 5.24 -0.22 1.68 -7.23 0.28 0.94 120.40 123.96 2ksq s VAL 123 Ca 0.26 0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 60.94 2ksq s VAL 123 Cb -0.14 -3.58 0.07 0.00 0.56 0.00 0.00 36.38 33.29 2ksq s VAL 123 CO 0.17 0.57 0.03 -0.36 -0.31 0.00 0.00 175.10 175.21 2ksq s PHE 124 N -1.08 1.32 -0.41 2.82 0.08 -0.69 -2.03 117.98 117.99 2ksq s PHE 124 Ca 0.21 -1.12 -0.27 0.00 0.12 0.00 0.00 56.93 55.86 2ksq s PHE 124 Cb -0.14 -1.21 -0.07 0.00 -0.57 0.00 0.00 43.02 41.03 2ksq s PHE 124 CO 0.10 -0.68 2.35 0.00 -0.10 0.00 0.00 175.22 176.89 2ksq n ALA 125 N 4.97 1.13 -1.68 5.36 0.00 -0.91 -2.96 120.51 126.42 2ksq n ALA 125 Ca -0.08 -0.67 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 2ksq n ALA 125 Cb 0.46 -3.07 0.06 0.00 0.00 0.00 0.00 19.45 16.90 2ksq n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ksq s ASN 126 N 10.71 5.08 -1.87 0.00 2.47 0.76 -2.78 114.94 129.33 2ksq s ASN 126 Ca 1.00 1.32 0.00 0.00 0.42 0.00 0.00 52.86 55.60 2ksq s ASN 126 Cb -0.27 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 2ksq s ASN 126 CO 0.30 -1.59 0.00 0.29 -3.72 0.00 0.00 177.10 172.38 2ksq n LYS 127 N -3.19 -1.29 0.28 0.43 5.02 -1.26 -0.82 118.16 117.33 2ksq n LYS 127 Ca 0.07 1.10 0.12 0.00 -2.02 0.00 0.00 58.31 57.58 2ksq n LYS 127 Cb 0.56 -5.40 0.78 0.00 -0.02 0.00 0.00 35.03 30.94 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 -1.59 -0.86 115.11 114.63 2ksq h GLN 128 Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.27 2ksq h GLN 128 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.68 2ksq h GLN 128 CO 0.54 0.02 0.00 0.38 0.00 0.00 0.00 178.83 179.76 2ksq h ASP 129 N 0.00 0.00 -3.50 -0.69 3.04 -1.89 -3.41 116.42 109.97 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 0.03 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.36 2ksq h ASP 129 CO 0.00 0.00 0.63 -0.76 -2.04 0.00 0.00 179.24 177.07 2ksq s LEU 130 N -4.98 4.43 0.55 0.15 1.02 -0.33 -4.89 118.68 114.63 2ksq s LEU 130 Ca 0.01 2.42 0.33 0.00 0.02 0.00 0.00 54.13 56.91 2ksq s LEU 130 Cb 0.09 -3.62 1.49 0.00 0.02 0.00 0.00 46.19 44.17 2ksq s LEU 130 CO 0.37 -0.48 1.84 -0.65 0.02 0.00 0.00 176.35 177.45 2ksq h PRO 131 N 4.95 0.00 -0.73 1.29 0.11 -1.89 0.46 132.00 136.19 2ksq h PRO 131 Ca -0.45 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 2ksq h PRO 131 Cb 1.22 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.17 2ksq h PRO 131 CO 0.74 0.00 0.30 0.39 -0.21 0.00 0.00 178.00 179.23 2ksq n GLU 132 N -4.12 3.24 -1.97 1.05 -0.58 -1.26 -4.99 120.64 112.01 2ksq n GLU 132 Ca 0.20 -3.08 -0.42 0.00 -0.42 0.00 0.00 57.16 53.45 2ksq n GLU 132 Cb 1.05 -2.16 -0.03 0.00 -0.57 0.00 0.00 31.44 29.74 2ksq n GLU 132 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ksq s ALA 133 N -3.07 3.70 0.44 0.62 0.00 0.16 -4.40 121.76 119.21 2ksq s ALA 133 Ca 0.54 1.36 -0.24 0.00 0.00 0.00 0.00 51.96 53.61 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 0.12 -0.77 1.25 -1.64 0.00 0.00 0.00 175.76 174.71 2ksq s MET 134 N 0.37 3.79 0.71 0.00 -1.94 -1.10 -4.90 119.30 116.24 2ksq s MET 134 Ca 0.65 2.01 -0.11 0.00 -1.71 0.00 0.00 55.69 56.53 2ksq s MET 134 Cb -0.43 -2.57 0.02 0.00 2.01 0.00 0.00 34.83 33.86 2ksq s MET 134 CO 0.37 -0.59 1.07 -1.12 -0.01 0.00 0.00 175.02 174.74 2ksq s SER 135 N -1.01 5.22 0.41 3.03 0.01 -1.26 -4.90 113.70 115.19 2ksq s SER 135 Ca 0.61 1.56 0.13 0.00 1.31 0.00 0.00 55.95 59.57 2ksq s SER 135 Cb -0.34 -2.42 0.86 0.00 0.21 0.00 0.00 66.02 64.33 2ksq s SER 135 CO 0.43 -1.54 1.91 0.00 0.41 0.00 0.00 173.24 174.45 2ksq h ALA 136 N -0.79 1.54 -0.26 1.44 0.00 -1.99 -2.51 119.26 116.69 2ksq h ALA 136 Ca -0.44 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.09 2ksq h ALA 136 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2ksq h ALA 136 CO 0.57 0.35 -0.35 0.00 0.00 0.00 0.00 179.25 179.82 2ksq h ALA 137 N 1.72 0.90 0.00 0.00 0.00 -1.99 -2.09 119.26 117.81 2ksq h ALA 137 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2ksq h ALA 137 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2ksq h ALA 137 CO 0.04 0.63 -0.15 0.93 0.00 0.00 0.00 179.25 180.69 2ksq h GLU 138 N 0.48 0.10 -0.98 0.00 4.39 -1.87 -2.18 114.58 114.52 2ksq h GLU 138 Ca 0.05 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2ksq h GLU 138 Cb 0.84 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 2ksq h GLU 138 CO 0.07 0.88 0.65 0.82 -1.16 0.00 0.00 179.01 180.27 2ksq h ILE 139 N -0.64 1.25 -0.03 3.13 2.04 -1.52 -1.40 117.51 120.33 2ksq h ILE 139 Ca -0.02 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 2ksq h ILE 139 Cb 0.94 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2ksq h ILE 139 CO 0.03 0.24 -0.02 0.74 0.00 0.00 0.00 178.15 179.14 2ksq h THR 140 N 1.32 1.34 0.40 -0.27 2.02 -1.46 -2.69 112.91 113.57 2ksq h THR 140 Ca 0.36 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 2ksq h THR 140 Cb -0.14 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2ksq h THR 140 CO -0.08 0.28 -0.28 -0.33 0.37 0.00 0.00 175.52 175.48 2ksq h GLU 141 N -0.35 -0.64 -0.61 6.66 5.08 -1.18 -2.39 114.58 121.16 2ksq h GLU 141 Ca 0.01 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2ksq h GLU 141 Cb 0.45 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2ksq h GLU 141 CO 0.00 -0.42 0.41 -0.22 -1.00 0.00 0.00 179.01 177.78 2ksq h LYS 142 N -0.66 0.39 0.00 2.33 3.11 -1.35 0.13 116.57 120.52 2ksq h LYS 142 Ca -0.04 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2ksq h LYS 142 Cb 0.56 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2ksq h LYS 142 CO 0.02 0.26 0.00 1.28 -2.81 0.00 0.00 179.45 178.20 2ksq n LEU 143 N -4.47 0.00 -2.68 5.20 4.77 -1.01 -4.87 117.00 113.94 2ksq n LEU 143 Ca 0.10 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.87 2ksq n LEU 143 Cb 0.39 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2ksq n LEU 143 CO 0.34 0.00 -0.15 0.61 -1.33 0.00 0.00 177.39 176.86 2ksq n GLY 144 N 0.76 -0.51 0.29 -0.72 0.00 0.47 -4.88 105.19 100.60 2ksq n GLY 144 Ca 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.60 0.86 -2.73 0.99 5.85 -1.63 -2.76 115.31 115.30 2ksq h LEU 145 Ca -0.50 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 57.98 2ksq h LEU 145 Cb 1.36 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2ksq h LEU 145 CO 0.57 0.95 -0.00 0.45 -0.34 0.00 0.00 178.44 180.06 2ksq h HIS 146 N 0.81 0.00 -0.45 1.25 3.86 -1.89 -0.82 115.15 117.91 2ksq h HIS 146 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2ksq h HIS 146 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 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 -3.44 3.44 -4.30 2.45 7.64 -1.04 -4.85 113.62 113.52 2ksq n SER 147 Ca -0.03 -1.98 -0.39 0.00 1.01 0.00 0.00 58.87 57.48 2ksq n SER 147 Cb 0.08 -0.29 -0.11 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.41 4.14 -0.15 0.44 1.01 -0.31 -4.90 121.20 120.01 2ksq s ILE 148 Ca 0.40 -1.18 0.16 0.00 0.00 0.00 0.00 60.65 60.04 2ksq s ILE 148 Cb 0.23 -3.41 0.43 0.00 0.01 0.00 0.00 42.46 39.72 2ksq s ILE 148 CO 0.32 -0.32 1.19 0.54 0.00 0.00 0.00 174.94 176.67 2ksq n ARG 149 N 4.89 1.23 0.00 2.79 1.74 -1.26 -4.71 116.66 121.35 2ksq n ARG 149 Ca -0.11 -2.95 0.03 0.00 -0.77 0.00 0.00 57.85 54.05 2ksq n ARG 149 Cb 0.44 -1.12 -0.00 0.00 -1.02 0.00 0.00 32.46 30.75 2ksq n ARG 149 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ksq n ASN 150 N -0.50 0.89 -3.70 0.55 5.03 -1.26 -5.00 115.26 111.27 2ksq n ASN 150 Ca 0.16 -0.94 -0.11 0.00 0.87 0.00 0.00 54.58 54.56 2ksq n ASN 150 Cb 0.88 0.53 -0.11 0.00 -1.02 0.00 0.00 39.78 40.06 2ksq n ASN 150 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2ksq s ARG 151 N -1.09 0.39 -0.31 3.52 6.06 -1.26 -5.10 118.95 121.16 2ksq s ARG 151 Ca 0.05 0.74 -0.28 0.00 -2.50 0.00 0.00 55.73 53.73 2ksq s ARG 151 Cb 0.05 0.01 -0.02 0.00 0.06 0.00 0.00 34.95 35.04 2ksq s ARG 151 CO 0.17 -0.14 1.88 -1.25 -2.50 0.00 0.00 175.30 173.46 2ksq s PRO 152 N 1.21 3.28 0.13 5.12 0.04 -1.26 -4.90 135.00 138.63 2ksq s PRO 152 Ca -0.08 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.56 2ksq s PRO 152 Cb -0.08 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.19 2ksq s PRO 152 CO -0.10 -1.92 -0.16 1.67 0.04 0.00 0.00 177.00 176.52 2ksq s TRP 153 N 7.21 1.57 0.00 0.56 1.48 -1.26 -2.16 118.94 126.34 2ksq s TRP 153 Ca 0.84 -0.51 -0.01 0.00 -1.06 0.00 0.00 56.10 55.36 2ksq s TRP 153 Cb -0.24 -0.82 -0.01 0.00 -1.16 0.00 0.00 33.47 31.25 2ksq s TRP 153 CO 0.34 0.21 0.01 0.12 -4.06 0.00 0.00 176.95 173.56 2ksq s PHE 154 N -1.95 0.08 -0.17 1.66 2.19 -1.11 -4.96 117.98 113.72 2ksq s PHE 154 Ca 0.10 -0.15 0.00 0.00 0.33 0.00 0.00 56.93 57.21 2ksq s PHE 154 Cb -0.06 -0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.59 2ksq s PHE 154 CO 0.04 -0.09 -0.16 -1.50 1.83 0.00 0.00 175.22 175.35 2ksq s ILE 155 N -0.57 2.55 -0.01 3.12 2.07 -1.25 1.00 121.20 128.10 2ksq s ILE 155 Ca -0.06 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 58.41 2ksq s ILE 155 Cb -0.04 -2.08 -0.00 0.00 0.13 0.00 0.00 42.46 40.46 2ksq s ILE 155 CO -0.00 0.51 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.87 2ksq s GLN 156 N 1.06 0.77 -0.24 3.50 2.00 -0.86 -5.02 119.66 120.86 2ksq s GLN 156 Ca -0.01 -0.32 -0.29 0.00 -2.00 0.00 0.00 55.36 52.75 2ksq s GLN 156 Cb -0.14 -0.74 0.00 0.00 0.80 0.00 0.00 33.01 32.92 2ksq s GLN 156 CO -0.04 0.18 1.20 0.00 -0.50 0.00 0.00 175.29 176.12 2ksq s ALA 157 N -0.13 3.56 0.07 1.58 0.00 -1.26 -2.13 121.76 123.46 2ksq s ALA 157 Ca 0.02 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2ksq s ALA 157 Cb -0.04 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 2ksq s ALA 157 CO -0.00 -1.36 -0.21 0.95 0.00 0.00 0.00 175.76 175.14 2ksq s THR 158 N 3.69 1.68 -0.30 0.00 -4.23 -1.12 -4.67 115.64 110.70 2ksq s THR 158 Ca 0.51 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 2ksq s THR 158 Cb -0.17 -1.49 0.09 0.00 1.34 0.00 0.00 72.50 72.26 2ksq s THR 158 CO 0.15 0.07 0.05 0.00 -0.54 0.00 0.00 174.62 174.35 2ksq h ALA 160 N 7.94 0.86 -0.95 0.00 0.00 -1.93 1.00 119.26 126.18 2ksq h ALA 160 Ca -0.12 -0.42 0.21 0.00 0.00 0.00 0.00 54.91 54.58 2ksq h ALA 160 Cb 1.03 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2ksq h ALA 160 CO 0.46 0.64 0.62 1.15 0.00 0.00 0.00 179.25 182.12 2ksq h THR 161 N 0.51 0.66 0.00 0.00 2.02 -1.94 -3.01 112.91 111.15 2ksq h THR 161 Ca 0.05 -0.16 -0.24 0.00 0.77 0.00 0.00 66.41 66.83 2ksq h THR 161 Cb 0.86 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 2ksq h THR 161 CO 0.07 0.09 -1.91 -1.20 0.37 0.00 0.00 175.52 172.94 2ksq n SER 162 N -4.57 2.57 0.00 4.18 7.64 -1.15 -4.72 113.62 117.56 2ksq n SER 162 Ca 0.21 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2ksq n SER 162 Cb 0.71 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 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 0.88 3.76 0.23 0.00 0.34 -4.96 105.19 108.07 2ksq n GLY 163 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.88 4.52 0.00 1.61 2.56 -1.10 -3.12 118.70 122.29 2ksq s GLU 164 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 54.97 56.94 2ksq s GLU 164 Cb 0.00 -3.15 0.00 0.00 2.00 0.00 0.00 34.13 32.98 2ksq s GLU 164 CO 0.00 0.04 0.00 0.41 -0.56 0.00 0.00 175.26 175.15 2ksq n GLY 165 N 1.14 2.96 0.30 -1.50 0.00 -1.26 -2.60 105.19 104.23 2ksq n GLY 165 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.96 -0.42 0.99 4.07 -1.87 -2.87 115.31 116.16 2ksq h LEU 166 Ca 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 2ksq h LEU 166 Cb 0.00 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 2ksq h LEU 166 CO 0.00 0.90 0.19 0.10 -1.08 0.00 0.00 178.44 178.55 2ksq h TYR 167 N 0.96 0.62 -0.94 1.13 -0.00 -1.90 -2.84 116.97 114.01 2ksq h TYR 167 Ca 0.22 -0.04 0.06 0.00 0.00 0.00 0.00 58.73 58.97 2ksq h TYR 167 Cb 0.27 -0.19 -0.06 0.00 0.00 0.00 0.00 36.73 36.75 2ksq h TYR 167 CO 0.02 0.53 0.61 1.49 -0.00 0.00 0.00 178.16 180.81 2ksq h GLU 168 N 0.54 1.06 -0.58 0.10 4.81 -1.93 -2.12 114.58 116.47 2ksq h GLU 168 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2ksq h GLU 168 Cb 0.15 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 2ksq h GLU 168 CO -0.02 0.70 0.37 0.78 -0.73 0.00 0.00 179.01 180.11 2ksq h GLY 169 N 1.09 0.82 2.00 1.92 0.00 -1.29 -0.76 103.07 106.85 2ksq h GLY 169 Ca 0.40 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 2ksq h GLY 169 CO -0.15 0.31 -0.31 -2.00 0.00 0.00 0.00 176.54 174.39 2ksq h LEU 170 N 0.78 0.00 0.03 3.11 5.85 -1.36 -2.92 115.31 120.79 2ksq h LEU 170 Ca 0.21 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.65 2ksq h LEU 170 Cb -0.07 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.99 2ksq h LEU 170 CO -0.04 0.31 -1.09 -0.08 -0.34 0.00 0.00 178.44 177.19 2ksq h GLU 171 N 0.00 0.69 -0.55 1.25 4.22 -0.73 -2.95 114.58 116.52 2ksq h GLU 171 Ca -0.00 -0.78 -0.03 0.00 0.08 0.00 0.00 59.36 58.62 2ksq h GLU 171 Cb 0.71 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2ksq h GLU 171 CO 0.04 1.34 0.21 -1.49 -2.18 0.00 0.00 179.01 176.93 2ksq h TRP 172 N 0.37 0.84 0.15 0.92 -0.00 -1.07 -2.80 115.95 114.36 2ksq h TRP 172 Ca -0.14 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.67 2ksq h TRP 172 Cb 1.75 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 30.66 2ksq h TRP 172 CO 0.11 0.69 -0.07 1.25 -0.00 0.00 0.00 178.44 180.41 2ksq h LEU 173 N 0.74 -0.17 -1.80 -4.49 6.46 -1.60 -2.71 115.31 111.74 2ksq h LEU 173 Ca 0.18 -0.07 0.18 0.00 -0.12 0.00 0.00 57.88 58.05 2ksq h LEU 173 Cb 0.21 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 2ksq h LEU 173 CO -0.01 -0.04 0.50 0.77 -0.62 0.00 0.00 178.44 179.04 2ksq h SER 174 N -0.29 0.18 0.51 1.25 4.64 -1.44 -0.09 113.55 118.30 2ksq h SER 174 Ca -0.02 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2ksq h SER 174 Cb 0.23 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2ksq h SER 174 CO 0.03 0.08 -0.78 -1.13 -0.87 0.00 0.00 176.83 174.17 2ksq h ASN 175 N 0.18 0.26 0.46 4.97 -0.73 -1.23 -2.78 115.58 116.71 2ksq h ASN 175 Ca 0.35 -0.19 -0.08 0.00 1.87 0.00 0.00 56.30 58.26 2ksq h ASN 175 Cb 1.13 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.63 2ksq h ASN 175 CO -0.06 0.94 -0.36 0.00 -0.37 0.00 0.00 177.43 177.58 2ksq n LEU 177 N -3.93 1.82 -2.93 0.00 4.77 -1.14 -4.92 117.00 110.66 2ksq n LEU 177 Ca -0.02 0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 2ksq n LEU 177 Cb 0.42 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 2ksq n LEU 177 CO 0.38 -0.35 -0.06 0.29 -1.33 0.00 0.00 177.39 176.31 2ksq n LYS 178 N -4.58 -2.62 -0.80 3.23 4.76 -1.05 -4.78 118.16 112.32 2ksq n LYS 178 Ca -0.11 0.25 -0.16 0.00 -2.87 0.00 0.00 58.31 55.42 2ksq n LYS 178 Cb 0.34 -4.83 0.08 0.00 -1.84 0.00 0.00 35.03 28.78 2ksq n LYS 178 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2ksq n ASN 179 N -1.86 4.75 0.02 4.39 0.23 -1.26 -4.18 115.26 117.35 2ksq n ASN 179 Ca -0.02 -3.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 2ksq n ASN 179 Cb 0.53 -0.84 0.00 0.00 -2.08 0.00 0.00 39.78 37.39 2ksq n ASN 179 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2ksq n SER 180 N -0.18 0.15 -0.82 0.53 7.64 -1.26 -5.04 113.62 114.64 2ksq n SER 180 Ca 0.34 0.06 0.10 0.00 1.01 0.00 0.00 58.87 60.38 2ksq n SER 180 Cb 0.92 -0.02 0.09 0.00 -1.01 0.00 0.00 64.21 64.19 2ksq n SER 180 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10