#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbq n ASN -1 N 0.00 3.78 -0.21 4.04 3.02 -1.26 -4.73 115.26 119.90 3kbq n ASN -1 Ca 0.00 -2.00 0.01 0.00 -0.03 0.00 0.00 54.58 52.57 3kbq n ASN -1 Cb 0.00 -0.45 0.12 0.00 -0.61 0.00 0.00 39.78 38.84 3kbq n ASN -1 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kbq h ALA 0 N 4.34 0.75 -0.71 5.41 0.00 -1.96 -1.53 119.26 125.56 3kbq h ALA 0 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kbq h ALA 0 Cb 0.96 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3kbq h ALA 0 CO 0.00 -0.30 0.00 1.63 0.00 0.00 0.00 179.25 180.58 3kbq n LYS 1 N -5.12 3.02 -3.28 0.00 5.02 -1.26 -4.75 118.16 111.78 3kbq n LYS 1 Ca 0.10 -2.72 -0.38 0.00 -2.02 0.00 0.00 58.31 53.28 3kbq n LYS 1 Cb 0.34 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3kbq n LYS 1 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kbq s ASN 2 N -0.98 6.81 0.12 4.39 0.02 -0.60 0.33 114.94 125.03 3kbq s ASN 2 Ca 0.49 0.96 0.08 0.00 -1.02 0.00 0.00 52.86 53.37 3kbq s ASN 2 Cb 0.27 -2.31 -0.04 0.00 0.02 0.00 0.00 41.25 39.19 3kbq s ASN 2 CO 0.31 0.06 -0.18 0.00 0.02 0.00 0.00 177.10 177.30 3kbq s ALA 3 N 0.19 1.73 0.17 0.60 0.00 0.01 -1.99 121.76 122.48 3kbq s ALA 3 Ca 0.28 -1.28 0.08 0.00 0.00 0.00 0.00 51.96 51.04 3kbq s ALA 3 Cb -0.16 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3kbq s ALA 3 CO 0.13 0.27 -0.17 -1.12 0.00 0.00 0.00 175.76 174.88 3kbq s SER 4 N -2.15 2.57 -0.05 0.00 0.01 -0.32 -0.16 113.70 113.60 3kbq s SER 4 Ca 0.08 -0.89 0.07 0.00 1.31 0.00 0.00 55.95 56.51 3kbq s SER 4 Cb -0.08 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3kbq s SER 4 CO 0.04 -0.08 -0.25 -0.69 0.41 0.00 0.00 173.24 172.67 3kbq s VAL 5 N -2.29 2.03 -0.03 3.43 1.01 -0.83 -1.04 120.40 122.68 3kbq s VAL 5 Ca 0.16 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3kbq s VAL 5 Cb -0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3kbq s VAL 5 CO 0.06 0.57 -0.18 -0.63 0.00 0.00 0.00 175.10 174.92 3kbq s ILE 6 N -0.29 1.50 -0.10 2.22 1.01 -0.20 -0.68 121.20 124.65 3kbq s ILE 6 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.90 3kbq s ILE 6 Cb -0.12 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.09 3kbq s ILE 6 CO 0.02 0.43 -0.17 -0.89 0.00 0.00 0.00 174.94 174.33 3kbq s THR 7 N -0.18 1.59 -0.18 2.92 2.01 0.37 -1.28 115.64 120.88 3kbq s THR 7 Ca 0.01 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 3kbq s THR 7 Cb -0.10 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 3kbq s THR 7 CO 0.01 0.46 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.65 3kbq s VAL 8 N 0.77 3.54 0.00 3.82 1.01 -0.53 -1.29 120.40 127.72 3kbq s VAL 8 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3kbq s VAL 8 Cb -0.16 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.66 3kbq s VAL 8 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3kbq n GLY 9 N 4.02 2.10 0.40 4.51 0.00 -0.28 -4.08 105.19 111.86 3kbq n GLY 9 Ca -0.18 0.28 0.18 0.00 0.00 0.00 0.00 46.02 46.31 3kbq n GLY 9 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kbq h ASN 10 N 0.00 0.45 0.28 1.61 2.35 -1.90 -2.17 115.58 116.18 3kbq h ASN 10 Ca 0.00 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 3kbq h ASN 10 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3kbq h ASN 10 CO 0.00 0.18 -0.34 1.05 -1.65 0.00 0.00 177.43 176.67 3kbq h GLU 11 N 0.44 0.09 -0.05 0.81 9.09 -1.96 0.13 114.58 123.15 3kbq h GLU 11 Ca 0.48 -0.03 -0.01 0.00 0.05 0.00 0.00 59.36 59.84 3kbq h GLU 11 Cb 1.13 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.23 3kbq h GLU 11 CO -0.19 0.42 -0.01 0.82 0.05 0.00 0.00 179.01 180.09 3kbq h ILE 12 N 0.08 1.31 -0.84 -1.06 1.08 -1.61 0.12 117.51 116.59 3kbq h ILE 12 Ca 0.01 -0.95 0.03 0.00 -0.39 0.00 0.00 64.86 63.56 3kbq h ILE 12 Cb 0.64 1.85 -0.05 0.00 -3.07 0.00 0.00 36.82 36.19 3kbq h ILE 12 CO 0.05 0.26 0.54 -0.07 -0.69 0.00 0.00 178.15 178.24 3kbq h LEU 13 N -0.28 0.91 0.00 1.44 3.38 -1.27 -1.28 115.31 118.22 3kbq h LEU 13 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kbq h LEU 13 Cb 0.42 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kbq h LEU 13 CO 0.01 0.63 0.00 0.29 0.09 0.00 0.00 178.44 179.46 3kbq n LYS 14 N -4.55 0.52 -1.63 1.13 5.02 -0.01 -4.88 118.16 113.76 3kbq n LYS 14 Ca 0.10 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.32 3kbq n LYS 14 Cb 0.08 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 3kbq n LYS 14 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kbq n GLY 15 N 0.70 0.75 0.11 0.72 0.00 -0.48 -4.89 105.19 102.10 3kbq n GLY 15 Ca 0.14 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 3kbq n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kbq h ARG 16 N 0.00 0.00 -4.99 1.61 3.08 -1.01 -3.45 114.38 109.62 3kbq h ARG 16 Ca -0.23 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.48 3kbq h ARG 16 Cb 0.87 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.73 3kbq h ARG 16 CO 0.31 0.71 -0.74 0.95 -1.07 0.00 0.00 179.97 180.13 3kbq s THR 17 N -2.98 0.92 0.37 2.04 -4.23 -1.15 -5.03 115.64 105.58 3kbq s THR 17 Ca 0.02 -1.48 -0.13 0.00 -1.18 0.00 0.00 61.69 58.91 3kbq s THR 17 Cb 0.09 -1.18 -0.08 0.00 1.34 0.00 0.00 72.50 72.67 3kbq s THR 17 CO 0.77 -0.46 0.76 0.54 -0.54 0.00 0.00 174.62 175.70 3kbq s VAL 18 N -2.02 4.71 -1.36 2.29 0.11 -1.26 -4.44 120.40 118.43 3kbq s VAL 18 Ca 0.01 0.84 -0.15 0.00 -2.93 0.00 0.00 61.98 59.76 3kbq s VAL 18 Cb -0.06 -3.66 0.08 0.00 -1.53 0.00 0.00 36.38 31.21 3kbq s VAL 18 CO 0.01 -0.34 1.96 -3.20 -3.33 0.00 0.00 175.10 170.19 3kbq n ASN 19 N -0.79 4.49 0.12 3.54 2.85 -1.26 -4.70 115.26 119.51 3kbq n ASN 19 Ca 0.03 -2.91 -0.03 0.00 -0.11 0.00 0.00 54.58 51.56 3kbq n ASN 19 Cb 0.54 -1.66 0.11 0.00 1.24 0.00 0.00 39.78 40.01 3kbq n ASN 19 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 3kbq h THR 20 N 4.52 1.50 -0.70 -0.44 1.35 -2.00 -3.10 112.91 114.04 3kbq h THR 20 Ca 0.49 -2.38 0.01 0.00 -0.55 0.00 0.00 66.41 63.98 3kbq h THR 20 Cb 0.73 2.28 -0.04 0.00 -1.73 0.00 0.00 68.15 69.40 3kbq h THR 20 CO 1.66 0.68 0.45 0.78 -0.25 0.00 0.00 175.52 178.85 3kbq h ASN 21 N 0.01 0.78 -0.28 5.36 2.35 -1.94 -1.53 115.58 120.32 3kbq h ASN 21 Ca -0.01 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 3kbq h ASN 21 Cb 1.24 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 3kbq h ASN 21 CO 0.09 0.56 0.01 0.00 -1.65 0.00 0.00 177.43 176.44 3kbq h ALA 22 N 1.27 1.30 0.01 -0.83 0.00 -1.94 0.34 119.26 119.41 3kbq h ALA 22 Ca 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kbq h ALA 22 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3kbq h ALA 22 CO -0.07 0.48 -0.00 0.00 0.00 0.00 0.00 179.25 179.66 3kbq h ALA 23 N 1.44 -0.01 -0.63 0.00 0.00 -1.48 0.98 119.26 119.56 3kbq h ALA 23 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kbq h ALA 23 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3kbq h ALA 23 CO 0.01 -0.42 0.36 0.35 0.00 0.00 0.00 179.25 179.56 3kbq h PHE 24 N -0.18 0.85 -0.30 0.00 3.57 -0.82 -0.73 116.94 119.33 3kbq h PHE 24 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3kbq h PHE 24 Cb 0.18 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3kbq h PHE 24 CO -0.02 0.60 -0.08 0.82 -2.23 0.00 0.00 178.31 177.40 3kbq h ILE 25 N 0.86 1.28 -0.67 1.41 2.04 -0.89 0.01 117.51 121.55 3kbq h ILE 25 Ca 0.22 -1.11 0.06 0.00 1.00 0.00 0.00 64.86 65.03 3kbq h ILE 25 Cb 0.01 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3kbq h ILE 25 CO -0.04 0.36 0.38 1.23 0.00 0.00 0.00 178.15 180.08 3kbq h GLY 26 N 0.35 0.98 1.01 5.37 0.00 -0.61 0.21 103.07 110.38 3kbq h GLY 26 Ca 0.08 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3kbq h GLY 26 CO 0.03 0.17 -0.27 -0.57 0.00 0.00 0.00 176.54 175.90 3kbq h ASN 27 N 0.70 0.82 -0.35 0.19 -1.24 -0.96 -1.16 115.58 113.59 3kbq h ASN 27 Ca 0.30 -0.45 0.01 0.00 0.71 0.00 0.00 56.30 56.87 3kbq h ASN 27 Cb 0.17 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 3kbq h ASN 27 CO -0.17 1.10 0.21 0.15 -1.29 0.00 0.00 177.43 177.42 3kbq h PHE 28 N 0.56 0.39 -0.20 0.67 3.57 -0.58 0.14 116.94 121.49 3kbq h PHE 28 Ca 0.06 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 3kbq h PHE 28 Cb 0.84 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 3kbq h PHE 28 CO 0.07 0.23 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.19 3kbq h LEU 29 N 0.42 0.45 -0.54 0.59 3.38 -0.93 -2.34 115.31 116.34 3kbq h LEU 29 Ca 0.14 -0.43 0.09 0.00 0.09 0.00 0.00 57.88 57.77 3kbq h LEU 29 Cb -0.00 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3kbq h LEU 29 CO -0.06 0.78 0.14 0.74 0.09 0.00 0.00 178.44 180.13 3kbq h THR 30 N 0.13 0.73 -0.64 0.22 2.02 -1.09 -1.24 112.91 113.03 3kbq h THR 30 Ca 0.04 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.19 3kbq h THR 30 Cb 0.62 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3kbq h THR 30 CO 0.03 0.05 0.42 0.22 0.37 0.00 0.00 175.52 176.62 3kbq h TYR 31 N 0.29 0.62 -0.42 3.16 3.20 -0.53 -1.22 116.97 122.06 3kbq h TYR 31 Ca 0.27 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3kbq h TYR 31 Cb 0.36 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3kbq h TYR 31 CO -0.21 0.32 0.00 0.72 -1.64 0.00 0.00 178.16 177.35 3kbq n HIS 32 N -4.48 1.13 -0.42 -3.82 8.25 -0.57 -4.90 115.22 110.42 3kbq n HIS 32 Ca 0.09 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3kbq n HIS 32 Cb 0.25 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3kbq n HIS 32 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kbq n GLY 33 N 0.71 0.76 3.83 -1.41 0.00 -0.46 -4.98 105.19 103.65 3kbq n GLY 33 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3kbq n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kbq s TYR 34 N -2.28 3.36 -0.34 1.61 2.02 -0.62 -5.00 117.35 116.11 3kbq s TYR 34 Ca 0.00 1.49 -0.21 0.00 -0.37 0.00 0.00 57.07 57.98 3kbq s TYR 34 Cb 0.00 -2.77 -0.00 0.00 -0.40 0.00 0.00 41.96 38.79 3kbq s TYR 34 CO 0.00 -0.13 0.65 -1.14 -1.57 0.00 0.00 175.55 173.36 3kbq s GLN 35 N -3.36 3.77 -0.41 -0.62 0.74 0.15 -4.13 119.66 115.79 3kbq s GLN 35 Ca 0.60 0.17 -0.27 0.00 0.05 0.00 0.00 55.36 55.90 3kbq s GLN 35 Cb -0.09 -3.78 0.02 0.00 1.10 0.00 0.00 33.01 30.26 3kbq s GLN 35 CO 0.18 -0.69 1.00 0.08 -0.55 0.00 0.00 175.29 175.32 3kbq s VAL 36 N 2.71 4.45 -0.20 1.34 1.01 -1.26 -0.81 120.40 127.64 3kbq s VAL 36 Ca 0.25 1.17 -0.20 0.00 0.00 0.00 0.00 61.98 63.20 3kbq s VAL 36 Cb -0.14 -4.44 -0.20 0.00 0.00 0.00 0.00 36.38 31.60 3kbq s VAL 36 CO 0.14 -0.72 0.22 -0.09 0.00 0.00 0.00 175.10 174.65 3kbq h ARG 37 N 8.75 0.02 -3.88 2.72 2.43 -0.94 -3.48 114.38 120.00 3kbq h ARG 37 Ca -0.23 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.74 3kbq h ARG 37 Cb 1.07 0.01 -0.21 0.00 -0.42 0.00 0.00 29.97 30.43 3kbq h ARG 37 CO 1.04 1.02 -0.65 1.03 -1.51 0.00 0.00 179.97 180.90 3kbq s ARG 38 N -2.38 0.37 -0.01 0.20 0.52 -1.26 -5.08 118.95 111.31 3kbq s ARG 38 Ca -0.28 -0.59 0.08 0.00 -0.52 0.00 0.00 55.73 54.42 3kbq s ARG 38 Cb 0.06 0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.65 3kbq s ARG 38 CO 0.60 -0.07 -0.26 0.20 0.02 0.00 0.00 175.30 175.80 3kbq s GLY 39 N -1.51 1.28 -0.03 -3.53 0.00 -1.26 -1.97 107.32 100.30 3kbq s GLY 39 Ca -0.15 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.48 3kbq s GLY 39 CO -0.01 -0.96 -0.16 -1.36 0.00 0.00 0.00 173.10 170.62 3kbq s PHE 40 N -0.64 1.49 -0.11 1.90 0.08 0.14 -4.98 117.98 115.87 3kbq s PHE 40 Ca 0.10 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.82 3kbq s PHE 40 Cb -0.10 -0.99 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 3kbq s PHE 40 CO -0.01 -0.09 -0.17 0.08 -0.10 0.00 0.00 175.22 174.93 3kbq s VAL 41 N -0.15 1.65 0.13 -0.44 1.01 -1.26 -0.48 120.40 120.86 3kbq s VAL 41 Ca 0.01 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3kbq s VAL 41 Cb -0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3kbq s VAL 41 CO 0.01 0.47 -0.07 0.68 0.00 0.00 0.00 175.10 176.19 3kbq s VAL 42 N 0.86 0.87 0.79 2.92 -7.23 -0.41 -4.99 120.40 113.20 3kbq s VAL 42 Ca -0.09 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 3kbq s VAL 42 Cb -0.15 -1.80 0.06 0.00 0.56 0.00 0.00 36.38 35.05 3kbq s VAL 42 CO -0.00 -0.78 1.09 -0.04 -0.31 0.00 0.00 175.10 175.05 3kbq s MET 43 N -3.81 2.18 -1.13 4.82 -1.94 -1.26 -1.13 119.30 117.02 3kbq s MET 43 Ca 0.15 0.83 -0.23 0.00 -1.71 0.00 0.00 55.69 54.73 3kbq s MET 43 Cb 0.04 -1.91 -0.09 0.00 2.01 0.00 0.00 34.83 34.88 3kbq s MET 43 CO -0.02 -1.60 1.96 -0.51 -0.01 0.00 0.00 175.02 174.83 3kbq s ASP 44 N -3.72 4.91 -0.25 3.03 1.01 -1.26 -4.51 116.67 115.87 3kbq s ASP 44 Ca 0.61 -1.45 -0.12 0.00 0.71 0.00 0.00 52.55 52.29 3kbq s ASP 44 Cb -0.15 -2.59 0.09 0.00 1.01 0.00 0.00 42.92 41.28 3kbq s ASP 44 CO 0.55 -3.18 0.60 -0.62 0.21 0.00 0.00 175.17 172.73 3kbq s ASP 45 N 6.93 -0.84 0.17 0.27 2.15 -1.26 -4.99 116.67 119.10 3kbq s ASP 45 Ca 0.70 1.36 -0.14 0.00 0.43 0.00 0.00 52.55 54.90 3kbq s ASP 45 Cb -0.02 1.48 0.12 0.00 -0.30 0.00 0.00 42.92 44.20 3kbq s ASP 45 CO 0.12 -0.23 1.76 -0.07 -0.17 0.00 0.00 175.17 176.58 3kbq h LEU 46 N 7.37 0.24 -0.50 -1.34 3.38 -1.89 -0.24 115.31 122.33 3kbq h LEU 46 Ca -0.27 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 3kbq h LEU 46 Cb 1.18 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3kbq h LEU 46 CO 0.17 0.17 -0.68 0.44 0.09 0.00 0.00 178.44 178.63 3kbq h ASP 47 N 0.38 0.38 -0.11 -0.43 3.32 -1.96 -0.72 116.42 117.29 3kbq h ASP 47 Ca 0.21 -0.24 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 3kbq h ASP 47 Cb 0.17 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3kbq h ASP 47 CO -0.19 0.95 -0.61 -0.33 -1.72 0.00 0.00 179.24 177.34 3kbq h GLU 48 N 0.23 0.71 -0.49 3.56 4.39 -1.74 -1.17 114.58 120.07 3kbq h GLU 48 Ca -0.02 -0.49 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 3kbq h GLU 48 Cb 1.23 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 3kbq h GLU 48 CO 0.11 1.11 0.11 0.82 -1.16 0.00 0.00 179.01 180.00 3kbq h ILE 49 N 0.53 1.24 -0.57 3.13 2.04 -0.90 -2.21 117.51 120.77 3kbq h ILE 49 Ca -0.00 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 64.99 3kbq h ILE 49 Cb 1.20 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3kbq h ILE 49 CO 0.12 0.31 0.35 1.23 0.00 0.00 0.00 178.15 180.16 3kbq h GLY 50 N 0.67 0.82 0.32 5.37 0.00 -0.98 -1.97 103.07 107.30 3kbq h GLY 50 Ca 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.21 3kbq h GLY 50 CO 0.00 0.33 -0.11 -0.25 0.00 0.00 0.00 176.54 176.51 3kbq h TRP 51 N 0.76 -0.25 -0.36 5.60 7.01 -1.04 -1.73 115.95 125.95 3kbq h TRP 51 Ca 0.20 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.20 3kbq h TRP 51 Cb -0.03 0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3kbq h TRP 51 CO -0.02 -0.17 0.09 0.00 -2.79 0.00 0.00 178.44 175.55 3kbq h ALA 52 N 1.23 0.47 -0.47 2.65 0.00 -1.02 -1.55 119.26 120.57 3kbq h ALA 52 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kbq h ALA 52 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kbq h ALA 52 CO -0.34 0.13 0.19 0.74 0.00 0.00 0.00 179.25 179.97 3kbq h PHE 53 N 0.43 0.72 0.06 0.00 0.04 -1.29 0.88 116.94 117.77 3kbq h PHE 53 Ca 0.11 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3kbq h PHE 53 Cb 0.29 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3kbq h PHE 53 CO 0.01 0.61 -0.03 0.00 -0.60 0.00 0.00 178.31 178.30 3kbq h ARG 54 N 0.62 -0.07 -0.36 1.51 2.47 -1.04 -0.49 114.38 117.02 3kbq h ARG 54 Ca 0.16 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.91 3kbq h ARG 54 Cb 0.19 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.50 3kbq h ARG 54 CO -0.01 0.02 0.16 0.28 0.56 0.00 0.00 179.97 180.97 3kbq h VAL 55 N -0.15 0.95 -0.91 2.04 2.07 -1.22 -1.06 116.25 117.97 3kbq h VAL 55 Ca -0.01 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3kbq h VAL 55 Cb 0.13 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.41 3kbq h VAL 55 CO 0.01 0.06 0.54 0.00 0.02 0.00 0.00 177.57 178.21 3kbq h ALA 56 N 1.20 1.35 0.00 1.67 0.00 -0.63 -1.32 119.26 121.53 3kbq h ALA 56 Ca 0.15 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3kbq h ALA 56 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kbq h ALA 56 CO -0.13 0.14 -0.63 -0.07 0.00 0.00 0.00 179.25 178.56 3kbq h LEU 57 N 0.87 0.00 -1.23 0.00 3.38 -0.74 -1.17 115.31 116.42 3kbq h LEU 57 Ca 0.45 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.36 3kbq h LEU 57 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3kbq h LEU 57 CO -0.27 0.63 -0.10 -0.08 0.09 0.00 0.00 178.44 178.71 3kbq h GLU 58 N 0.00 0.41 -0.01 1.13 4.81 -0.04 -3.27 114.58 117.60 3kbq h GLU 58 Ca -0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3kbq h GLU 58 Cb 1.13 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3kbq h GLU 58 CO 0.08 0.52 -0.20 1.33 -0.73 0.00 0.00 179.01 180.01 3kbq n VAL 59 N -4.24 0.00 -3.86 0.32 0.24 -0.96 -5.02 118.33 104.80 3kbq n VAL 59 Ca 0.00 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 3kbq n VAL 59 Cb 0.29 1.18 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 3kbq n VAL 59 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kbq s SER 60 N -1.46 0.07 0.00 -1.34 1.04 -0.48 -4.83 113.70 106.70 3kbq s SER 60 Ca 0.11 -0.43 0.23 0.00 0.48 0.00 0.00 55.95 56.35 3kbq s SER 60 Cb 0.10 0.28 0.19 0.00 0.10 0.00 0.00 66.02 66.70 3kbq s SER 60 CO 0.28 -0.57 1.20 0.47 0.98 0.00 0.00 173.24 175.60 3kbq n ASP 61 N 0.62 1.26 -3.81 7.02 9.92 -0.84 -4.53 116.55 126.20 3kbq n ASP 61 Ca -0.18 -1.02 -0.18 0.00 -0.53 0.00 0.00 54.79 52.88 3kbq n ASP 61 Cb 0.59 0.50 -0.16 0.00 -0.64 0.00 0.00 41.12 41.41 3kbq n ASP 61 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3kbq s LEU 62 N -2.71 1.06 -0.10 0.64 2.96 -1.13 -1.31 118.68 118.09 3kbq s LEU 62 Ca 0.16 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.05 3kbq s LEU 62 Cb 0.18 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.63 3kbq s LEU 62 CO 0.66 -0.12 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.75 3kbq s VAL 63 N 1.17 1.38 -0.13 1.68 1.01 -0.58 -1.17 120.40 123.77 3kbq s VAL 63 Ca -0.08 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3kbq s VAL 63 Cb -0.13 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3kbq s VAL 63 CO -0.02 0.42 -0.21 -0.69 0.00 0.00 0.00 175.10 174.59 3kbq s VAL 64 N 0.95 1.97 0.12 2.92 1.01 -0.21 -0.84 120.40 126.32 3kbq s VAL 64 Ca -0.08 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.04 3kbq s VAL 64 Cb -0.15 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3kbq s VAL 64 CO -0.00 0.53 -0.10 -0.94 0.00 0.00 0.00 175.10 174.59 3kbq s SER 65 N 0.75 4.35 0.06 3.32 1.04 -0.09 -1.03 113.70 122.09 3kbq s SER 65 Ca -0.09 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 55.93 3kbq s SER 65 Cb -0.16 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.13 3kbq s SER 65 CO 0.00 0.16 -0.09 -0.94 0.98 0.00 0.00 173.24 173.36 3kbq s SER 66 N -2.34 1.08 0.00 7.02 1.04 -0.41 -1.08 113.70 119.01 3kbq s SER 66 Ca 0.22 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.99 3kbq s SER 66 Cb -0.11 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3kbq s SER 66 CO 0.14 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.73 3kbq n GLY 67 N 1.09 2.35 2.08 7.32 0.00 -0.78 -1.45 105.19 115.79 3kbq n GLY 67 Ca -0.20 -1.78 -0.03 0.00 0.00 0.00 0.00 46.02 44.00 3kbq n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbq n GLY 68 N 1.62 0.43 3.04 -0.02 0.00 -1.26 -4.64 105.19 104.35 3kbq n GLY 68 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 3kbq n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kbq s LEU 69 N -0.87 1.68 0.00 0.99 1.02 -1.26 -1.81 118.68 118.43 3kbq s LEU 69 Ca 0.00 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.71 3kbq s LEU 69 Cb 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 46.19 45.10 3kbq s LEU 69 CO 0.00 -0.02 0.00 0.61 0.02 0.00 0.00 176.35 176.96 3kbq n GLY 70 N 4.44 1.95 1.66 -3.19 0.00 -1.26 -4.54 105.19 104.24 3kbq n GLY 70 Ca -0.18 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 3kbq n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kbq n PRO 71 N -0.83 1.31 -4.18 1.61 -0.04 -1.26 -4.72 135.00 126.89 3kbq n PRO 71 Ca 0.00 -0.56 -0.15 0.00 -0.04 0.00 0.00 63.50 62.75 3kbq n PRO 71 Cb 0.00 -1.24 -0.11 0.00 -0.04 0.00 0.00 33.50 32.11 3kbq n PRO 71 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kbq s THR 72 N -0.72 1.02 0.57 0.52 -4.23 -1.26 -4.30 115.64 107.25 3kbq s THR 72 Ca 0.13 -1.60 0.26 0.00 -1.18 0.00 0.00 61.69 59.31 3kbq s THR 72 Cb 0.09 -1.33 0.35 0.00 1.34 0.00 0.00 72.50 72.95 3kbq s THR 72 CO -0.00 -0.49 2.10 -0.26 -0.54 0.00 0.00 174.62 175.43 3kbq h PHE 73 N 3.67 0.00 0.00 3.99 0.04 -1.88 -1.59 116.94 121.16 3kbq h PHE 73 Ca -0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 3kbq h PHE 73 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3kbq h PHE 73 CO 0.64 0.00 0.00 0.22 -0.60 0.00 0.00 178.31 178.57 3kbq h ASP 74 N 0.00 0.00 -2.26 2.17 3.58 -1.95 -3.39 116.42 114.57 3kbq h ASP 74 Ca 0.09 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.91 3kbq h ASP 74 Cb 0.47 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.38 3kbq h ASP 74 CO -0.00 0.00 0.87 -1.81 -2.88 0.00 0.00 179.24 175.42 3kbq s ASP 75 N -5.11 6.37 0.00 2.28 1.01 -0.60 -4.84 116.67 115.78 3kbq s ASP 75 Ca 0.02 -1.31 0.05 0.00 0.71 0.00 0.00 52.55 52.01 3kbq s ASP 75 Cb 0.09 -2.46 0.13 0.00 1.01 0.00 0.00 42.92 41.69 3kbq s ASP 75 CO 0.47 -1.40 1.04 0.23 0.21 0.00 0.00 175.17 175.72 3kbq n MET 76 N 7.81 2.35 -0.06 8.23 2.81 -1.01 -4.75 117.12 132.50 3kbq n MET 76 Ca 0.12 -1.60 -0.12 0.00 -1.81 0.00 0.00 57.70 54.29 3kbq n MET 76 Cb 0.48 -1.13 -0.06 0.00 -0.71 0.00 0.00 33.22 31.80 3kbq n MET 76 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3kbq h THR 77 N 1.00 1.31 -0.45 2.03 2.02 -1.65 -0.74 112.91 116.44 3kbq h THR 77 Ca 0.00 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.09 3kbq h THR 77 Cb 0.54 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3kbq h THR 77 CO 0.00 0.33 0.24 0.58 0.37 0.00 0.00 175.52 177.05 3kbq h VAL 78 N 0.04 1.00 -0.47 3.16 2.07 -1.88 0.59 116.25 120.77 3kbq h VAL 78 Ca 0.04 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3kbq h VAL 78 Cb 0.55 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3kbq h VAL 78 CO 0.02 0.09 0.12 -0.08 0.02 0.00 0.00 177.57 177.74 3kbq h GLU 79 N 0.49 0.75 -0.71 1.57 4.81 -1.88 0.74 114.58 120.35 3kbq h GLU 79 Ca 0.19 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3kbq h GLU 79 Cb 0.06 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 3kbq h GLU 79 CO -0.11 0.73 0.44 0.78 -0.73 0.00 0.00 179.01 180.12 3kbq h GLY 80 N 0.63 1.02 0.94 1.92 0.00 -0.70 -1.40 103.07 105.48 3kbq h GLY 80 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3kbq h GLY 80 CO 0.00 0.27 0.04 -2.75 0.00 0.00 0.00 176.54 174.09 3kbq h PHE 81 N 0.85 0.09 -0.58 5.60 3.57 -0.53 -1.94 116.94 124.00 3kbq h PHE 81 Ca 0.29 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.89 3kbq h PHE 81 Cb 0.04 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.68 3kbq h PHE 81 CO -0.05 0.13 0.14 0.00 -2.23 0.00 0.00 178.31 176.31 3kbq h ALA 82 N 0.95 0.69 -0.59 2.41 0.00 -0.67 -2.29 119.26 119.76 3kbq h ALA 82 Ca 0.02 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3kbq h ALA 82 Cb 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kbq h ALA 82 CO -0.00 -0.28 0.20 -0.22 0.00 0.00 0.00 179.25 178.94 3kbq h LYS 83 N 0.29 0.90 0.00 0.00 3.64 -1.20 0.94 116.57 121.14 3kbq h LYS 83 Ca 0.30 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3kbq h LYS 83 Cb 0.42 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3kbq h LYS 83 CO -0.36 0.80 -0.05 0.00 -2.27 0.00 0.00 179.45 177.57 3kbq n ILE 85 N -3.13 0.26 -1.46 0.00 -5.35 -0.91 -4.96 119.36 103.80 3kbq n ILE 85 Ca 0.02 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 3kbq n ILE 85 Cb 0.42 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 3kbq n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kbq n GLY 86 N 1.37 0.38 3.65 3.28 0.00 -0.53 -5.05 105.19 108.28 3kbq n GLY 86 Ca 0.17 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 3kbq n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kbq s GLN 87 N -2.93 2.31 0.18 1.61 -0.21 0.21 -5.01 119.66 115.82 3kbq s GLN 87 Ca 0.00 -1.36 -0.10 0.00 0.02 0.00 0.00 55.36 53.93 3kbq s GLN 87 Cb 0.00 -2.20 -0.07 0.00 1.00 0.00 0.00 33.01 31.75 3kbq s GLN 87 CO 0.00 0.38 0.49 -0.51 -2.12 0.00 0.00 175.29 173.54 3kbq s ASP 88 N -3.53 6.64 0.22 5.90 1.01 -1.26 -4.16 116.67 121.48 3kbq s ASP 88 Ca 0.30 0.87 -0.30 0.00 0.71 0.00 0.00 52.55 54.13 3kbq s ASP 88 Cb -0.07 -2.20 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 3kbq s ASP 88 CO 0.20 0.02 1.03 -0.76 0.21 0.00 0.00 175.17 175.86 3kbq s LEU 89 N -2.49 4.56 0.04 1.23 1.43 -1.26 -4.30 118.68 117.88 3kbq s LEU 89 Ca 0.42 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.60 3kbq s LEU 89 Cb -0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 3kbq s LEU 89 CO 0.21 -0.05 -0.09 0.00 0.23 0.00 0.00 176.35 176.65 3kbq s ARG 90 N -0.90 0.59 0.07 1.70 1.70 -0.44 -4.84 118.95 116.82 3kbq s ARG 90 Ca 0.45 -0.69 -0.34 0.00 -0.47 0.00 0.00 55.73 54.68 3kbq s ARG 90 Cb -0.28 -0.44 -0.13 0.00 -0.57 0.00 0.00 34.95 33.53 3kbq s ARG 90 CO 0.35 0.09 1.67 -0.89 -1.08 0.00 0.00 175.30 175.45 3kbq n ILE 91 N 1.72 0.20 -3.27 4.99 5.41 -1.26 -1.02 119.36 126.12 3kbq n ILE 91 Ca -0.21 -0.04 -0.41 0.00 1.00 0.00 0.00 62.75 63.10 3kbq n ILE 91 Cb 0.55 -1.62 -0.08 0.00 -0.71 0.00 0.00 39.64 37.78 3kbq n ILE 91 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kbq s ASP 92 N 1.98 6.33 0.30 4.38 2.15 -0.20 -4.90 116.67 126.71 3kbq s ASP 92 Ca 0.84 0.16 0.01 0.00 0.43 0.00 0.00 52.55 53.99 3kbq s ASP 92 Cb -0.70 -2.26 0.46 0.00 -0.30 0.00 0.00 42.92 40.12 3kbq s ASP 92 CO 0.43 -0.37 1.81 -0.33 -0.17 0.00 0.00 175.17 176.54 3kbq h GLU 93 N 8.30 0.65 0.06 4.34 4.39 -1.93 0.47 114.58 130.86 3kbq h GLU 93 Ca -0.29 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 3kbq h GLU 93 Cb 1.14 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3kbq h GLU 93 CO 0.73 0.68 -0.03 -0.44 -1.16 0.00 0.00 179.01 178.79 3kbq h ASP 94 N 0.61 -0.07 -0.30 1.42 3.32 -1.97 -0.05 116.42 119.37 3kbq h ASP 94 Ca 0.12 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 57.03 3kbq h ASP 94 Cb 0.41 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 3kbq h ASP 94 CO 0.02 0.18 -0.16 0.00 -1.72 0.00 0.00 179.24 177.55 3kbq h ALA 95 N 0.59 0.07 -0.08 3.45 0.00 -1.85 0.17 119.26 121.62 3kbq h ALA 95 Ca -0.01 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3kbq h ALA 95 Cb 0.28 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3kbq h ALA 95 CO 0.01 -0.55 -0.09 1.25 0.00 0.00 0.00 179.25 179.87 3kbq h LEU 96 N -0.12 -0.29 -0.52 0.00 5.85 -0.74 -0.91 115.31 118.58 3kbq h LEU 96 Ca 0.16 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3kbq h LEU 96 Cb 0.36 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 3kbq h LEU 96 CO -0.38 -0.13 -0.05 0.00 -0.34 0.00 0.00 178.44 177.54 3kbq h ALA 97 N 0.93 0.44 -0.39 1.25 0.00 -0.52 -1.49 119.26 119.47 3kbq h ALA 97 Ca 0.06 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3kbq h ALA 97 Cb 0.22 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3kbq h ALA 97 CO -0.15 -0.41 -0.33 0.52 0.00 0.00 0.00 179.25 178.87 3kbq h MET 98 N 0.07 -0.25 -0.15 0.00 2.86 0.24 -2.43 114.93 115.25 3kbq h MET 98 Ca 0.26 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3kbq h MET 98 Cb 0.40 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3kbq h MET 98 CO -0.48 -0.17 0.10 0.82 1.06 0.00 0.00 176.91 178.24 3kbq h ILE 99 N -0.26 1.03 -1.00 -1.22 2.04 -0.48 -1.83 117.51 115.79 3kbq h ILE 99 Ca 0.17 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.98 3kbq h ILE 99 Cb 0.54 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 3kbq h ILE 99 CO -0.54 0.04 0.66 0.11 0.00 0.00 0.00 178.15 178.42 3kbq h LYS 100 N 0.20 1.29 -0.42 2.37 1.57 -1.22 -1.47 116.57 118.88 3kbq h LYS 100 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kbq h LYS 100 Cb -0.02 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 31.98 3kbq h LYS 100 CO -0.02 0.85 0.26 -0.22 -0.57 0.00 0.00 179.45 179.76 3kbq h LYS 101 N 1.32 0.57 -0.46 3.15 1.63 -1.18 -0.78 116.57 120.82 3kbq h LYS 101 Ca 0.37 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.10 3kbq h LYS 101 Cb -0.11 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.37 3kbq h LYS 101 CO -0.09 0.40 0.15 0.87 -3.45 0.00 0.00 179.45 177.33 3kbq h LYS 102 N 0.56 0.67 -0.01 1.90 1.57 -0.66 -2.56 116.57 118.04 3kbq h LYS 102 Ca 0.15 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kbq h LYS 102 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3kbq h LYS 102 CO -0.03 0.59 -0.18 0.66 -0.57 0.00 0.00 179.45 179.91 3kbq n TYR 103 N -4.33 0.00 -3.84 -1.35 4.01 -0.62 -4.94 117.16 106.09 3kbq n TYR 103 Ca 0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.47 3kbq n TYR 103 Cb 0.18 -0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3kbq n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kbq n GLY 104 N 1.30 -0.47 3.16 2.72 0.00 -0.32 -4.95 105.19 106.63 3kbq n GLY 104 Ca 0.14 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 3kbq n GLY 104 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kbq s GLN 105 N -6.52 0.31 0.37 1.61 2.00 -1.09 -5.04 119.66 111.30 3kbq s GLN 105 Ca 0.60 0.57 0.19 0.00 -2.00 0.00 0.00 55.36 54.73 3kbq s GLN 105 Cb -0.32 0.01 0.58 0.00 0.80 0.00 0.00 33.01 34.08 3kbq s GLN 105 CO 0.74 -0.12 1.68 0.00 -0.50 0.00 0.00 175.29 177.09 3kbq h ALA 106 N 6.66 0.91 -3.24 1.58 0.00 -1.92 -3.43 119.26 119.82 3kbq h ALA 106 Ca -0.35 -0.33 -0.68 0.00 0.00 0.00 0.00 54.91 53.55 3kbq h ALA 106 Cb 1.17 -0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.55 3kbq h ALA 106 CO 0.33 0.45 -0.52 0.34 0.00 0.00 0.00 179.25 179.85 3kbq s ASP 107 N -6.36 5.08 0.40 0.00 -1.08 -1.26 -5.07 116.67 108.38 3kbq s ASP 107 Ca 0.01 -2.42 -0.18 0.00 -0.52 0.00 0.00 52.55 49.45 3kbq s ASP 107 Cb 0.10 -1.79 -0.10 0.00 -1.46 0.00 0.00 42.92 39.67 3kbq s ASP 107 CO 0.69 -0.43 0.87 -0.76 0.52 0.00 0.00 175.17 176.05 3kbq s LEU 108 N 0.57 3.94 0.80 -1.34 1.02 -1.26 -5.08 118.68 117.33 3kbq s LEU 108 Ca 0.12 1.51 -0.12 0.00 0.02 0.00 0.00 54.13 55.66 3kbq s LEU 108 Cb -0.22 -4.35 0.08 0.00 0.02 0.00 0.00 46.19 41.72 3kbq s LEU 108 CO -0.04 -0.33 1.16 0.42 0.02 0.00 0.00 176.35 177.57 3kbq s THR 109 N -2.17 2.47 0.23 5.49 -4.23 -1.26 -4.75 115.64 111.42 3kbq s THR 109 Ca 0.58 0.19 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 3kbq s THR 109 Cb -0.10 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.45 3kbq s THR 109 CO 0.17 -0.17 1.65 -0.65 -0.54 0.00 0.00 174.62 175.09 3kbq h PRO 110 N -0.99 0.12 0.00 3.99 0.11 -1.98 0.59 132.00 133.84 3kbq h PRO 110 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3kbq h PRO 110 Cb 1.27 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3kbq h PRO 110 CO 0.47 0.08 -0.17 1.96 -0.21 0.00 0.00 178.00 180.13 3kbq h GLN 111 N 0.13 0.00 0.00 1.05 7.50 -1.92 -0.69 115.11 121.17 3kbq h GLN 111 Ca 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.53 3kbq h GLN 111 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.18 3kbq h GLN 111 CO -0.60 0.17 -0.00 0.00 -1.50 0.00 0.00 178.83 176.91 3kbq h ARG 112 N 0.00 -0.00 -0.77 1.46 3.08 -1.44 -3.34 114.38 113.37 3kbq h ARG 112 Ca -0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 3kbq h ARG 112 Cb 0.35 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.28 3kbq h ARG 112 CO 0.02 0.92 0.18 1.25 -1.07 0.00 0.00 179.97 181.27 3kbq h LEU 113 N -0.98 -0.00 -2.31 3.04 5.85 -0.84 -1.48 115.31 118.58 3kbq h LEU 113 Ca -0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kbq h LEU 113 Cb 0.92 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.16 3kbq h LEU 113 CO 0.00 -0.06 0.00 0.07 -0.34 0.00 0.00 178.44 178.11 3kbq h LYS 114 N 0.26 0.00 0.00 1.25 5.09 -1.24 -0.56 116.57 121.36 3kbq h LYS 114 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.18 3kbq h LYS 114 Cb 0.78 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.11 3kbq h LYS 114 CO -0.55 0.00 0.00 0.52 -2.09 0.00 0.00 179.45 177.33 3kbq h MET 115 N 0.00 0.00 -0.01 0.07 2.86 -1.41 -1.45 114.93 114.99 3kbq h MET 115 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kbq h MET 115 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3kbq h MET 115 CO 0.00 0.00 -0.10 0.00 1.06 0.00 0.00 176.91 177.87 3kbq n ALA 116 N -1.91 2.78 -2.67 6.32 0.00 -0.22 -4.75 120.51 120.06 3kbq n ALA 116 Ca -0.01 -0.40 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 3kbq n ALA 116 Cb 0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 3kbq n ALA 116 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3kbq s LYS 117 N -2.22 4.29 -0.01 0.00 -0.14 -0.55 -1.03 119.74 120.08 3kbq s LYS 117 Ca 0.33 1.01 -0.03 0.00 -1.36 0.00 0.00 55.97 55.91 3kbq s LYS 117 Cb 0.20 -3.58 -0.00 0.00 -1.68 0.00 0.00 37.83 32.77 3kbq s LYS 117 CO 0.42 -0.34 0.06 0.42 -0.76 0.00 0.00 175.35 175.14 3kbq s ILE 118 N 2.21 0.06 0.59 2.17 1.01 -0.19 -4.85 121.20 122.19 3kbq s ILE 118 Ca 0.38 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 3kbq s ILE 118 Cb -0.16 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 3kbq s ILE 118 CO 0.12 -0.25 1.02 -2.16 0.00 0.00 0.00 174.94 173.66 3kbq s PRO 119 N -0.79 3.71 0.61 2.79 0.04 -1.26 -1.33 135.00 138.76 3kbq s PRO 119 Ca -0.09 0.82 0.37 0.00 0.04 0.00 0.00 61.00 62.15 3kbq s PRO 119 Cb -0.05 -2.10 1.97 0.00 0.04 0.00 0.00 34.50 34.36 3kbq s PRO 119 CO 0.00 -0.48 2.23 -1.00 0.04 0.00 0.00 177.00 177.79 3kbq h PRO 120 N 0.09 0.00 0.00 0.56 0.13 -1.95 -2.16 132.00 128.67 3kbq h PRO 120 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3kbq h PRO 120 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kbq h PRO 120 CO 0.62 0.02 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 3kbq n SER 121 N -3.30 0.00 -4.51 1.44 7.64 -1.26 -4.80 113.62 108.83 3kbq n SER 121 Ca -0.02 0.16 -0.28 0.00 1.01 0.00 0.00 58.87 59.74 3kbq n SER 121 Cb 0.15 -0.33 -0.11 0.00 -1.01 0.00 0.00 64.21 62.91 3kbq n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kbq s ARG 123 N -2.43 2.30 0.48 0.00 0.52 0.39 -4.87 118.95 115.34 3kbq s ARG 123 Ca 0.21 -0.83 -0.20 0.00 -0.52 0.00 0.00 55.73 54.38 3kbq s ARG 123 Cb -0.10 -2.28 -0.09 0.00 0.52 0.00 0.00 34.95 33.01 3kbq s ARG 123 CO 0.12 0.58 1.02 -1.25 0.02 0.00 0.00 175.30 175.79 3kbq s PRO 124 N -1.02 3.88 -0.11 3.54 0.04 -1.26 -1.35 135.00 138.71 3kbq s PRO 124 Ca 0.13 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.48 3kbq s PRO 124 Cb -0.11 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3kbq s PRO 124 CO 0.03 -0.35 -0.14 0.42 0.04 0.00 0.00 177.00 176.99 3kbq s ILE 125 N -2.04 2.94 0.30 0.56 1.01 0.28 -4.85 121.20 119.40 3kbq s ILE 125 Ca 0.66 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 3kbq s ILE 125 Cb -0.15 -2.21 -0.11 0.00 0.01 0.00 0.00 42.46 40.00 3kbq s ILE 125 CO 0.19 0.54 1.61 -0.70 0.00 0.00 0.00 174.94 176.58 3kbq s GLU 126 N 0.18 4.11 -0.54 2.79 2.12 -1.26 -0.59 118.70 125.51 3kbq s GLU 126 Ca -0.08 2.60 -0.08 0.00 0.36 0.00 0.00 54.97 57.78 3kbq s GLU 126 Cb -0.15 -3.02 0.14 0.00 0.26 0.00 0.00 34.13 31.36 3kbq s GLU 126 CO 0.05 -0.65 0.40 1.21 -0.54 0.00 0.00 175.26 175.73 3kbq s ASN 127 N 0.52 5.68 0.20 -1.70 3.84 -1.26 -4.75 114.94 117.46 3kbq s ASN 127 Ca 0.64 -2.25 0.23 0.00 0.21 0.00 0.00 52.86 51.69 3kbq s ASN 127 Cb -0.48 -1.98 0.91 0.00 -0.55 0.00 0.00 41.25 39.15 3kbq s ASN 127 CO 0.48 -0.59 1.70 -0.81 -2.79 0.00 0.00 177.10 175.10 3kbq n PRO 128 N 4.42 0.17 -0.13 0.43 -0.04 -1.26 -3.64 135.00 134.95 3kbq n PRO 128 Ca -0.01 0.33 -0.27 0.00 -0.04 0.00 0.00 63.50 63.51 3kbq n PRO 128 Cb 0.41 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 31.98 3kbq n PRO 128 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3kbq n VAL 129 N -2.10 1.53 -3.36 0.52 0.31 -1.26 -5.05 118.33 108.91 3kbq n VAL 129 Ca 0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3kbq n VAL 129 Cb 0.27 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3kbq n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kbq n GLY 130 N 1.44 6.54 0.06 2.92 0.00 -1.24 -5.07 105.19 109.83 3kbq n GLY 130 Ca -0.52 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.40 3kbq n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kbq n THR 131 N 0.00 0.80 -2.71 2.61 -2.24 -1.26 -4.74 114.28 106.74 3kbq n THR 131 Ca 0.00 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 3kbq n THR 131 Cb 0.00 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 3kbq n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kbq s ALA 132 N -2.87 3.46 0.65 6.98 0.00 -1.26 -4.86 121.76 123.86 3kbq s ALA 132 Ca -0.09 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 3kbq s ALA 132 Cb 0.09 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3kbq s ALA 132 CO 0.83 -0.67 1.25 -1.25 0.00 0.00 0.00 175.76 175.92 3kbq s PRO 133 N 2.18 2.55 0.86 0.00 0.04 -1.26 -4.56 135.00 134.81 3kbq s PRO 133 Ca 0.46 1.93 -0.13 0.00 0.04 0.00 0.00 61.00 63.30 3kbq s PRO 133 Cb -0.18 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.62 3kbq s PRO 133 CO 0.15 -1.56 1.20 0.20 0.04 0.00 0.00 177.00 177.03 3kbq s GLY 134 N -1.60 1.63 -0.01 0.56 0.00 0.24 -4.82 107.32 103.32 3kbq s GLY 134 Ca 0.79 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.79 3kbq s GLY 134 CO 0.39 -0.19 -0.10 1.08 0.00 0.00 0.00 173.10 174.29 3kbq s LEU 135 N -5.74 1.98 -0.11 0.66 1.43 -0.37 0.99 118.68 117.52 3kbq s LEU 135 Ca 0.65 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3kbq s LEU 135 Cb -0.10 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 3kbq s LEU 135 CO 0.51 0.11 -0.15 -0.63 0.23 0.00 0.00 176.35 176.42 3kbq s ILE 136 N -0.16 2.91 0.09 -0.59 1.01 -0.46 -0.60 121.20 123.41 3kbq s ILE 136 Ca 0.03 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 60.01 3kbq s ILE 136 Cb -0.05 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3kbq s ILE 136 CO -0.00 0.54 -0.16 0.00 0.00 0.00 0.00 174.94 175.33 3kbq s ALA 138 N -1.53 2.40 -0.26 0.00 0.00 -0.73 -1.22 121.76 120.42 3kbq s ALA 138 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3kbq s ALA 138 Cb -0.08 -0.96 0.07 0.00 0.00 0.00 0.00 23.12 22.14 3kbq s ALA 138 CO 0.03 0.33 -0.06 0.08 0.00 0.00 0.00 175.76 176.14 3kbq s VAL 139 N 0.14 1.84 0.00 0.00 1.01 -0.49 -4.87 120.40 118.03 3kbq s VAL 139 Ca -0.10 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.35 3kbq s VAL 139 Cb -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3kbq s VAL 139 CO 0.06 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3kbq n GLY 140 N 4.53 2.38 0.75 4.51 0.00 -1.26 -0.15 105.19 115.96 3kbq n GLY 140 Ca -0.10 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3kbq n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbq n GLY 141 N 0.00 0.85 3.93 -0.02 0.00 -1.26 -4.91 105.19 103.78 3kbq n GLY 141 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 3kbq n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kbq s LYS 142 N -1.54 3.54 0.08 1.61 1.02 0.79 -5.03 119.74 120.22 3kbq s LYS 142 Ca 0.31 -0.22 0.09 0.00 0.02 0.00 0.00 55.97 56.17 3kbq s LYS 142 Cb 0.16 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 3kbq s LYS 142 CO 0.22 0.23 -0.25 0.15 -0.92 0.00 0.00 175.35 174.78 3kbq s LYS 143 N -3.83 1.49 -0.07 1.68 1.02 -0.42 -1.40 119.74 118.20 3kbq s LYS 143 Ca 0.41 -1.18 -0.00 0.00 0.02 0.00 0.00 55.97 55.22 3kbq s LYS 143 Cb -0.10 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.45 3kbq s LYS 143 CO 0.32 0.44 -0.03 0.08 -0.92 0.00 0.00 175.35 175.25 3kbq s VAL 144 N -0.95 0.53 -0.20 3.17 1.01 -0.36 -1.53 120.40 122.08 3kbq s VAL 144 Ca 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3kbq s VAL 144 Cb -0.10 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 3kbq s VAL 144 CO 0.04 0.26 -0.06 -0.63 0.00 0.00 0.00 175.10 174.72 3kbq s ILE 145 N 1.56 3.37 -0.21 2.22 -1.09 -0.02 -0.32 121.20 126.71 3kbq s ILE 145 Ca -0.01 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3kbq s ILE 145 Cb -0.13 -2.51 0.01 0.00 -1.58 0.00 0.00 42.46 38.25 3kbq s ILE 145 CO -0.04 0.44 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.36 3kbq s ILE 146 N 1.21 2.58 0.20 2.92 1.01 0.23 -0.91 121.20 128.44 3kbq s ILE 146 Ca 0.03 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 59.93 3kbq s ILE 146 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3kbq s ILE 146 CO -0.02 0.43 -0.22 -0.76 0.00 0.00 0.00 174.94 174.38 3kbq s LEU 147 N 1.34 2.46 0.87 2.97 1.43 -0.24 -1.24 118.68 126.27 3kbq s LEU 147 Ca 0.04 -0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 52.15 3kbq s LEU 147 Cb -0.14 -1.05 0.12 0.00 0.03 0.00 0.00 46.19 45.15 3kbq s LEU 147 CO -0.08 0.06 1.12 -2.84 0.23 0.00 0.00 176.35 174.83 3kbq s PRO 148 N -2.82 1.40 0.10 1.29 0.02 -1.26 -1.86 135.00 131.86 3kbq s PRO 148 Ca 0.20 1.33 0.23 0.00 0.02 0.00 0.00 61.00 62.78 3kbq s PRO 148 Cb -0.07 -1.79 0.16 0.00 0.02 0.00 0.00 34.50 32.83 3kbq s PRO 148 CO 0.09 -2.29 1.14 0.41 -0.33 0.00 0.00 177.00 176.02 3kbq n GLY 149 N -0.38 -1.32 3.64 0.52 0.00 -1.26 -3.69 105.19 102.69 3kbq n GLY 149 Ca 0.10 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3kbq n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kbq s VAL 150 N -3.21 3.32 0.27 1.61 1.01 -1.26 -4.81 120.40 117.32 3kbq s VAL 150 Ca 0.04 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 3kbq s VAL 150 Cb 0.13 -3.30 0.27 0.00 0.00 0.00 0.00 36.38 33.49 3kbq s VAL 150 CO 0.77 -0.10 1.87 -0.65 0.00 0.00 0.00 175.10 176.99 3kbq h PRO 151 N 11.39 1.11 -0.60 2.72 0.11 -1.99 0.14 132.00 144.89 3kbq h PRO 151 Ca -0.41 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3kbq h PRO 151 Cb 1.20 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 3kbq h PRO 151 CO 0.97 0.73 0.19 -0.22 -0.21 0.00 0.00 178.00 179.46 3kbq h LYS 152 N 1.14 0.90 -0.10 1.05 3.64 -1.97 -0.59 116.57 120.65 3kbq h LYS 152 Ca 0.45 -0.17 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 3kbq h LYS 152 Cb 0.23 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3kbq h LYS 152 CO -0.19 0.78 -0.48 0.93 -2.27 0.00 0.00 179.45 178.22 3kbq h GLU 153 N 0.88 0.50 -0.23 1.90 5.08 -1.38 -2.19 114.58 119.15 3kbq h GLU 153 Ca 0.20 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3kbq h GLU 153 Cb 0.25 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3kbq h GLU 153 CO -0.01 1.03 0.12 1.98 -1.00 0.00 0.00 179.01 181.14 3kbq h MET 154 N 0.10 0.25 -0.44 2.33 4.05 -0.52 -1.10 114.93 119.59 3kbq h MET 154 Ca -0.03 -0.02 -0.14 0.00 -0.28 0.00 0.00 59.70 59.24 3kbq h MET 154 Cb 1.12 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 3kbq h MET 154 CO 0.10 0.17 -0.26 0.93 0.23 0.00 0.00 176.91 178.07 3kbq h GLU 155 N 0.26 0.95 -0.11 0.39 5.08 -1.16 -0.33 114.58 119.67 3kbq h GLU 155 Ca 0.09 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3kbq h GLU 155 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kbq h GLU 155 CO -0.05 1.09 0.07 0.00 -1.00 0.00 0.00 179.01 179.12 3kbq h ALA 156 N 0.88 0.13 -0.37 3.43 0.00 -1.13 -1.63 119.26 120.58 3kbq h ALA 156 Ca 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3kbq h ALA 156 Cb 0.84 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3kbq h ALA 156 CO 0.07 -0.37 -0.35 -0.07 0.00 0.00 0.00 179.25 178.54 3kbq h LEU 157 N 0.13 0.88 -0.47 0.00 3.38 -0.94 -1.88 115.31 116.41 3kbq h LEU 157 Ca 0.04 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3kbq h LEU 157 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3kbq h LEU 157 CO -0.01 1.14 0.27 0.25 0.09 0.00 0.00 178.44 180.18 3kbq h LEU 158 N 0.70 0.58 -0.91 1.67 5.85 -0.98 -1.46 115.31 120.76 3kbq h LEU 158 Ca 0.07 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3kbq h LEU 158 Cb 0.91 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3kbq h LEU 158 CO 0.08 0.49 0.59 0.11 -0.34 0.00 0.00 178.44 179.37 3kbq h LYS 159 N 0.62 1.22 0.00 1.25 1.57 -1.20 -2.15 116.57 117.88 3kbq h LYS 159 Ca 0.17 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3kbq h LYS 159 Cb 0.04 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 3kbq h LYS 159 CO -0.03 0.82 -0.05 0.00 -0.57 0.00 0.00 179.45 179.62 3kbq h ALA 160 N 1.32 1.19 -0.24 3.86 0.00 -0.93 -2.78 119.26 121.68 3kbq h ALA 160 Ca 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kbq h ALA 160 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kbq h ALA 160 CO -0.07 0.06 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 3kbq n MET 161 N -3.43 1.98 0.19 0.00 2.81 -0.59 -4.60 117.12 113.49 3kbq n MET 161 Ca -0.02 -1.48 0.05 0.00 -1.81 0.00 0.00 57.70 54.44 3kbq n MET 161 Cb 0.18 -1.43 0.50 0.00 -0.71 0.00 0.00 33.22 31.76 3kbq n MET 161 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3kbq h GLU 162 N 2.95 0.08 0.00 0.03 4.81 -1.36 0.23 114.58 121.32 3kbq h GLU 162 Ca 0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3kbq h GLU 162 Cb 0.65 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3kbq h GLU 162 CO 0.00 0.20 -0.25 0.87 -0.73 0.00 0.00 179.01 179.10 3kbq h LYS 163 N 0.08 0.00 0.00 1.92 1.57 -1.85 -2.05 116.57 116.25 3kbq h LYS 163 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kbq h LYS 163 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3kbq h LYS 163 CO 0.02 0.25 0.00 -0.44 -0.57 0.00 0.00 179.45 178.71 3kbq h ASP 164 N 0.00 0.00 0.01 0.86 3.32 -1.29 -3.32 116.42 116.00 3kbq h ASP 164 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3kbq h ASP 164 Cb 0.70 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3kbq h ASP 164 CO 0.03 0.00 -2.00 -0.38 -1.72 0.00 0.00 179.24 175.17 3kbq n ILE 165 N -2.54 0.03 0.28 0.35 2.08 -0.80 -5.14 119.36 113.63 3kbq n ILE 165 Ca 0.03 -0.51 0.02 0.00 0.56 0.00 0.00 62.75 62.86 3kbq n ILE 165 Cb 0.34 -0.01 0.14 0.00 -0.75 0.00 0.00 39.64 39.36 3kbq n ILE 165 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73