#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k n ALA 2 N 0.00 -0.28 -1.62 3.04 0.00 -1.26 -5.03 120.51 115.37 1t3k n ALA 2 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1t3k n ALA 2 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1t3k n ALA 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1t3k n MET 3 N -2.12 -4.48 -2.02 0.00 1.56 -1.26 -4.98 117.12 103.82 1t3k n MET 3 Ca 0.00 3.24 0.00 0.00 -0.27 0.00 0.00 57.70 60.67 1t3k n MET 3 Cb 0.05 -3.54 0.00 0.00 2.15 0.00 0.00 33.22 31.88 1t3k n MET 3 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1t3k n ALA 4 N 0.55 -2.18 0.00 -5.12 0.00 -1.26 -5.07 120.51 107.42 1t3k n ALA 4 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1t3k n ALA 4 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1t3k n ALA 4 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1t3k n ARG 5 N 1.56 0.00 0.00 0.00 1.85 -1.26 -5.05 116.66 113.76 1t3k n ARG 5 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1t3k n ARG 5 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1t3k n ARG 5 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1t3k n SER 6 N 0.00 0.00 -4.72 2.89 2.88 -1.26 -4.57 113.62 108.84 1t3k n SER 6 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1t3k n SER 6 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1t3k n SER 6 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1t3k s ILE 7 N 0.00 5.21 0.03 2.46 2.07 -1.26 -4.73 121.20 124.98 1t3k s ILE 7 Ca 0.00 0.84 0.04 0.00 -1.41 0.00 0.00 60.65 60.12 1t3k s ILE 7 Cb 0.00 -3.77 -0.02 0.00 0.13 0.00 0.00 42.46 38.80 1t3k s ILE 7 CO 0.00 0.33 -0.12 -0.44 -1.91 0.00 0.00 174.94 172.80 1t3k s SER 8 N 0.64 1.35 0.12 4.50 0.01 -0.83 -4.92 113.70 114.56 1t3k s SER 8 Ca 0.23 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.12 1t3k s SER 8 Cb -0.15 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1t3k s SER 8 CO 0.09 -0.01 -0.12 -0.72 0.41 0.00 0.00 173.24 172.88 1t3k s TYR 9 N -0.85 1.28 -0.04 2.43 1.13 -1.26 -2.75 117.35 117.29 1t3k s TYR 9 Ca -0.01 -0.61 0.04 0.00 -1.41 0.00 0.00 57.07 55.09 1t3k s TYR 9 Cb -0.07 -0.67 -0.00 0.00 -1.10 0.00 0.00 41.96 40.11 1t3k s TYR 9 CO 0.01 0.10 -0.17 0.42 -2.51 0.00 0.00 175.55 173.39 1t3k s ILE 10 N -2.37 1.45 0.53 -3.49 1.01 -1.05 -4.86 121.20 112.43 1t3k s ILE 10 Ca 0.09 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1t3k s ILE 10 Cb -0.03 -1.25 0.04 0.00 0.01 0.00 0.00 42.46 41.22 1t3k s ILE 10 CO 0.02 0.42 0.75 -0.89 0.00 0.00 0.00 174.94 175.23 1t3k s THR 11 N 0.05 2.69 0.00 2.92 2.01 -1.26 -1.36 115.64 120.69 1t3k s THR 11 Ca -0.04 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1t3k s THR 11 Cb -0.12 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1t3k s THR 11 CO 0.02 0.00 0.04 -0.24 -0.69 0.00 0.00 174.62 173.75 1t3k n SER 12 N -2.27 0.00 -0.15 3.53 2.88 -1.26 0.12 113.62 116.47 1t3k n SER 12 Ca 0.09 0.04 -0.01 0.00 -1.33 0.00 0.00 58.87 57.66 1t3k n SER 12 Cb 0.60 -0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.30 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1t3k h THR 13 N 0.00 1.20 0.00 2.46 1.35 -1.99 0.45 112.91 116.38 1t3k h THR 13 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1t3k h THR 13 Cb 0.00 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1t3k h THR 13 CO 0.00 0.23 0.09 1.56 -0.25 0.00 0.00 175.52 177.15 1t3k h GLN 14 N 0.86 0.00 -0.01 4.72 4.20 0.58 0.86 115.11 126.33 1t3k h GLN 14 Ca 0.22 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.80 1t3k h GLN 14 Cb 0.07 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1t3k h GLN 14 CO -0.03 0.00 -0.59 1.25 -0.67 0.00 0.00 178.83 178.79 1t3k h LEU 15 N 0.00 0.05 0.26 1.46 6.46 0.18 -3.22 115.31 120.50 1t3k h LEU 15 Ca 0.00 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1t3k h LEU 15 Cb 0.18 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1t3k h LEU 15 CO 0.00 0.62 -0.13 -0.07 -0.62 0.00 0.00 178.44 178.25 1t3k h LEU 16 N 0.03 -0.30 -0.33 2.25 4.07 0.67 -3.31 115.31 118.38 1t3k h LEU 16 Ca -0.01 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.94 1t3k h LEU 16 Cb 1.05 0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.83 1t3k h LEU 16 CO 0.08 -0.15 -0.20 -2.65 -1.08 0.00 0.00 178.44 174.44 1t3k n PRO 17 N -5.21 -0.15 0.00 1.13 -0.02 -1.22 -4.74 135.00 124.79 1t3k n PRO 17 Ca -0.10 1.05 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1t3k n PRO 17 Cb 0.19 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1t3k n PRO 17 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1t3k n LEU 18 N -3.72 0.00 -3.12 2.45 -0.00 -1.24 -5.08 117.00 106.28 1t3k n LEU 18 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.85 1t3k n LEU 18 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.49 1t3k n LEU 18 CO -0.05 0.00 -0.16 1.57 -0.00 0.00 0.00 177.39 178.75 1t3k n HIS 19 N 0.00 -0.16 -2.75 1.47 -0.00 -1.25 -4.94 115.22 107.59 1t3k n HIS 19 Ca 0.00 -3.60 -0.18 0.00 0.46 0.00 0.00 57.72 54.41 1t3k n HIS 19 Cb 0.00 -0.18 0.00 0.00 -0.12 0.00 0.00 29.99 29.70 1t3k n HIS 19 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1t3k n ARG 20 N 0.28 1.95 -2.21 1.57 3.00 -1.26 -5.03 116.66 114.95 1t3k n ARG 20 Ca 0.22 -3.79 -0.36 0.00 -0.00 0.00 0.00 57.85 53.93 1t3k n ARG 20 Cb 0.67 -1.71 0.01 0.00 0.00 0.00 0.00 32.46 31.42 1t3k n ARG 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1t3k s ARG 21 N -3.14 3.36 -0.00 -0.14 3.00 -1.26 -5.01 118.95 115.76 1t3k s ARG 21 Ca 0.38 1.68 -0.01 0.00 0.00 0.00 0.00 55.73 57.78 1t3k s ARG 21 Cb 0.40 -2.06 -0.01 0.00 0.00 0.00 0.00 34.95 33.28 1t3k s ARG 21 CO -0.06 -0.86 0.40 -1.35 0.00 0.00 0.00 175.30 173.43 1t3k h PRO 22 N 1.30 -0.03 -5.07 3.54 0.11 -2.01 -3.39 132.00 126.44 1t3k h PRO 22 Ca -0.50 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1t3k h PRO 22 Cb 1.27 0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.41 1t3k h PRO 22 CO 0.57 -0.02 0.28 0.27 -0.21 0.00 0.00 178.00 178.88 1t3k n ASN 23 N -2.21 1.30 -4.05 -2.05 2.04 -1.26 -4.84 115.26 104.19 1t3k n ASN 23 Ca -0.00 -2.50 -0.13 0.00 -0.44 0.00 0.00 54.58 51.51 1t3k n ASN 23 Cb 0.01 -1.52 -0.12 0.00 -2.53 0.00 0.00 39.78 35.63 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 1t3k s ILE 24 N 15.51 0.53 -0.25 1.53 2.07 -1.26 0.26 121.20 139.59 1t3k s ILE 24 Ca 0.79 -1.00 -0.17 0.00 -1.41 0.00 0.00 60.65 58.87 1t3k s ILE 24 Cb -0.01 -0.59 0.07 0.00 0.13 0.00 0.00 42.46 42.06 1t3k s ILE 24 CO 0.22 -0.33 0.62 0.00 -1.91 0.00 0.00 174.94 173.54 1t3k s ALA 25 N -1.25 -1.63 -0.21 1.50 0.00 0.84 -4.78 121.76 116.23 1t3k s ALA 25 Ca -0.09 2.05 -0.08 0.00 0.00 0.00 0.00 51.96 53.84 1t3k s ALA 25 Cb -0.09 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1t3k s ALA 25 CO 0.00 -0.33 0.09 0.42 0.00 0.00 0.00 175.76 175.94 1t3k s ILE 26 N 1.13 4.84 -0.01 0.00 1.09 -1.26 -1.18 121.20 125.80 1t3k s ILE 26 Ca -0.06 -0.01 -0.12 0.00 -1.10 0.00 0.00 60.65 59.36 1t3k s ILE 26 Cb -0.05 -3.22 -0.05 0.00 -1.06 0.00 0.00 42.46 38.08 1t3k s ILE 26 CO -0.11 0.40 0.35 -0.51 -0.10 0.00 0.00 174.94 174.97 1t3k s ILE 27 N 0.81 5.14 -0.11 2.92 1.10 0.16 -0.52 121.20 130.70 1t3k s ILE 27 Ca 0.05 0.63 -0.02 0.00 -0.51 0.00 0.00 60.65 60.80 1t3k s ILE 27 Cb -0.13 -3.64 0.04 0.00 0.15 0.00 0.00 42.46 38.88 1t3k s ILE 27 CO 0.02 0.54 0.03 -0.62 -2.11 0.00 0.00 174.94 172.80 1t3k s ASP 28 N -1.19 1.92 0.11 4.50 -1.08 0.07 -1.58 116.67 119.41 1t3k s ASP 28 Ca 0.23 -0.29 0.03 0.00 -0.52 0.00 0.00 52.55 52.00 1t3k s ASP 28 Cb -0.15 -0.41 -0.04 0.00 -1.46 0.00 0.00 42.92 40.85 1t3k s ASP 28 CO 0.12 -0.24 0.13 0.54 0.52 0.00 0.00 175.17 176.24 1t3k s VAL 29 N 1.99 4.69 0.00 1.11 0.11 -1.26 -1.00 120.40 126.05 1t3k s VAL 29 Ca 0.03 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1t3k s VAL 29 Cb -0.14 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1t3k s VAL 29 CO -0.06 0.05 0.00 0.54 -3.33 0.00 0.00 175.10 172.30 1t3k n ARG 30 N 0.14 0.00 0.00 1.54 5.12 0.80 -4.82 116.66 119.44 1t3k n ARG 30 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1t3k n ARG 30 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 1t3k n ARG 30 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1t3k n ASP 31 N -2.25 0.00 -1.54 0.55 9.92 -1.23 -4.91 116.55 117.09 1t3k n ASP 31 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1t3k n ASP 31 Cb 0.00 0.00 0.21 0.00 -0.64 0.00 0.00 41.12 40.69 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1t3k n GLU 32 N 0.00 2.26 0.29 -1.24 1.02 -1.26 -4.62 120.64 117.09 1t3k n GLU 32 Ca 0.00 -3.10 0.19 0.00 -0.02 0.00 0.00 57.16 54.23 1t3k n GLU 32 Cb 0.00 -1.97 0.99 0.00 -0.02 0.00 0.00 31.44 30.44 1t3k n GLU 32 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1t3k h GLU 33 N 1.25 0.00 0.00 3.49 4.57 -1.91 0.53 114.58 122.50 1t3k h GLU 33 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1t3k h GLU 33 Cb 2.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.66 1t3k h GLU 33 CO 0.62 0.00 -0.14 -2.13 -1.18 0.00 0.00 179.01 176.19 1t3k n ARG 34 N -3.35 0.14 -0.06 1.92 3.00 -1.26 -2.97 116.66 114.08 1t3k n ARG 34 Ca -0.01 0.09 -0.07 0.00 -0.00 0.00 0.00 57.85 57.86 1t3k n ARG 34 Cb 0.21 -1.64 -0.06 0.00 0.00 0.00 0.00 32.46 30.97 1t3k n ARG 34 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1t3k h ASN 35 N 0.00 -0.01 0.41 6.15 2.35 -0.29 -3.32 115.58 120.88 1t3k h ASN 35 Ca 0.00 -0.45 -0.05 0.00 -0.55 0.00 0.00 56.30 55.24 1t3k h ASN 35 Cb 0.62 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1t3k h ASN 35 CO 0.00 0.72 -0.25 0.10 -1.65 0.00 0.00 177.43 176.35 1t3k h TYR 36 N -1.00 0.00 -1.47 1.19 -0.00 -1.68 -3.46 116.97 110.55 1t3k h TYR 36 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.73 58.35 1t3k h TYR 36 Cb 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 37.06 1t3k h TYR 36 CO 0.13 0.25 -0.36 -0.25 -0.00 0.00 0.00 178.16 177.92 1t3k n ASP 37 N -3.88 -4.94 -4.22 0.10 9.92 -1.16 -4.93 116.55 107.45 1t3k n ASP 37 Ca -0.02 0.39 -0.34 0.00 -0.53 0.00 0.00 54.79 54.29 1t3k n ASP 37 Cb 0.33 -4.37 0.09 0.00 -0.64 0.00 0.00 41.12 36.54 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1t3k n GLY 38 N -0.44 -3.12 2.58 0.44 0.00 -1.26 -4.93 105.19 98.45 1t3k n GLY 38 Ca -0.19 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.86 1t3k n GLY 38 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1t3k n HIS 39 N -3.24 3.01 -0.65 1.61 -0.00 -1.26 -5.09 115.22 109.59 1t3k n HIS 39 Ca 0.02 -3.26 -0.32 0.00 0.46 0.00 0.00 57.72 54.63 1t3k n HIS 39 Cb 0.56 -0.22 0.18 0.00 -0.12 0.00 0.00 29.99 30.40 1t3k n HIS 39 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1t3k n ILE 40 N -0.33 0.00 -3.09 3.57 -0.00 -1.26 -0.52 119.36 117.73 1t3k n ILE 40 Ca 0.32 -0.32 -0.41 0.00 -0.00 0.00 0.00 62.75 62.35 1t3k n ILE 40 Cb 0.64 -0.64 -0.06 0.00 -0.00 0.00 0.00 39.64 39.57 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1t3k s ALA 41 N -2.25 3.60 0.49 -1.28 0.00 -0.80 0.11 121.76 121.63 1t3k s ALA 41 Ca 0.57 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1t3k s ALA 41 Cb -0.13 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1t3k s ALA 41 CO 0.66 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1t3k n GLY 42 N 4.16 -2.89 0.00 0.00 0.00 -1.26 -4.61 105.19 100.58 1t3k n GLY 42 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t3k n SER 43 N -4.12 -1.80 -4.87 1.61 2.88 -1.26 -4.91 113.62 101.15 1t3k n SER 43 Ca -0.06 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.16 1t3k n SER 43 Cb 0.61 0.95 -0.06 0.00 -0.75 0.00 0.00 64.21 64.97 1t3k n SER 43 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1t3k s LEU 44 N -1.06 4.15 0.04 2.46 0.20 0.32 -4.92 118.68 119.88 1t3k s LEU 44 Ca 0.00 1.02 0.06 0.00 0.69 0.00 0.00 54.13 55.90 1t3k s LEU 44 Cb 0.00 -3.76 -0.03 0.00 -0.43 0.00 0.00 46.19 41.97 1t3k s LEU 44 CO 0.00 -0.09 -0.11 -1.00 -0.29 0.00 0.00 176.35 174.85 1t3k s HIS 45 N -1.84 2.74 0.00 5.38 3.76 -1.26 -0.75 115.29 123.32 1t3k s HIS 45 Ca 0.48 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 1t3k s HIS 45 Cb -0.11 -1.51 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1t3k s HIS 45 CO 0.20 0.35 0.00 2.48 -0.85 0.00 0.00 174.74 176.92 1t3k n TYR 46 N 1.32 -0.05 -3.52 1.40 4.11 -0.17 -4.92 117.16 115.33 1t3k n TYR 46 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 1t3k n TYR 46 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1t3k n TYR 46 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1t3k n ALA 47 N -3.00 0.00 1.61 -3.48 0.00 -1.26 -0.14 120.51 114.24 1t3k n ALA 47 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1t3k n ALA 47 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 1t3k n ALA 47 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t3k n SER 48 N -1.55 0.80 0.19 0.00 7.64 -1.26 -3.05 113.62 116.39 1t3k n SER 48 Ca 0.00 -1.11 0.07 0.00 1.01 0.00 0.00 58.87 58.84 1t3k n SER 48 Cb 0.00 -0.01 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 1t3k n SER 48 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1t3k h GLY 49 N 4.93 0.00 2.00 0.23 0.00 -1.96 -2.55 103.07 105.71 1t3k h GLY 49 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1t3k h GLY 49 CO 0.00 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.26 1t3k h SER 50 N 0.00 0.00 -3.79 0.19 0.02 -1.96 -3.47 113.55 104.55 1t3k h SER 50 Ca -0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1t3k h SER 50 Cb 1.02 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.63 1t3k h SER 50 CO 0.04 0.04 -0.43 0.49 -1.14 0.00 0.00 176.83 175.83 1t3k n PHE 51 N -3.13 -1.68 -1.16 3.45 3.01 -0.96 -0.30 117.46 116.69 1t3k n PHE 51 Ca 0.01 0.55 -0.05 0.00 1.01 0.00 0.00 57.45 58.97 1t3k n PHE 51 Cb 0.39 -3.54 -0.02 0.00 -0.01 0.00 0.00 39.48 36.29 1t3k n PHE 51 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1t3k n ASP 52 N -1.33 -3.96 -2.96 4.37 9.92 -1.26 -2.16 116.55 119.17 1t3k n ASP 52 Ca -0.03 0.13 -0.15 0.00 -0.53 0.00 0.00 54.79 54.22 1t3k n ASP 52 Cb 0.56 -1.94 -0.01 0.00 -0.64 0.00 0.00 41.12 39.08 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1t3k n ASP 53 N 0.45 -2.78 -2.88 -2.24 2.03 0.59 0.79 116.55 112.51 1t3k n ASP 53 Ca -0.05 -0.04 -0.12 0.00 0.52 0.00 0.00 54.79 55.09 1t3k n ASP 53 Cb 0.23 -2.38 0.06 0.00 -0.72 0.00 0.00 41.12 38.30 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1t3k n LYS 54 N -3.14 -2.85 0.04 -0.67 4.76 -0.92 -4.88 118.16 110.51 1t3k n LYS 54 Ca -0.03 0.67 -0.05 0.00 -2.87 0.00 0.00 58.31 56.03 1t3k n LYS 54 Cb 0.54 -4.97 -0.03 0.00 -1.84 0.00 0.00 35.03 28.74 1t3k n LYS 54 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1t3k h ILE 55 N -1.05 0.00 0.00 -0.18 2.04 0.19 -1.51 117.51 117.01 1t3k h ILE 55 Ca -0.47 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1t3k h ILE 55 Cb 1.25 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1t3k h ILE 55 CO 0.36 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 178.27 1t3k n SER 56 N -3.22 0.00 -0.04 1.72 2.88 -1.26 -1.92 113.62 111.77 1t3k n SER 56 Ca -0.02 0.05 -0.16 0.00 -1.33 0.00 0.00 58.87 57.40 1t3k n SER 56 Cb 0.11 -0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 63.24 1t3k n SER 56 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1t3k h HIS 57 N 0.00 1.05 0.00 0.66 6.17 -1.65 0.56 115.15 121.94 1t3k h HIS 57 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 60.37 60.65 1t3k h HIS 57 Cb 0.14 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 29.89 1t3k h HIS 57 CO 0.00 1.26 0.00 1.37 0.71 0.00 0.00 177.93 181.27 1t3k h LEU 58 N 0.54 0.00 -0.45 0.26 -0.00 -0.82 -1.51 115.31 113.32 1t3k h LEU 58 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.68 1t3k h LEU 58 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1t3k h LEU 58 CO 0.14 0.00 -0.60 0.58 -0.00 0.00 0.00 178.44 178.57 1t3k h VAL 59 N 0.00 1.32 0.00 0.15 2.07 -0.85 -2.64 116.25 116.30 1t3k h VAL 59 Ca 0.00 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1t3k h VAL 59 Cb 0.70 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1t3k h VAL 59 CO 0.00 0.58 0.00 0.06 0.02 0.00 0.00 177.57 178.23 1t3k h GLN 60 N 0.43 0.00 0.00 1.57 3.07 0.11 -2.41 115.11 117.89 1t3k h GLN 60 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1t3k h GLN 60 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1t3k h GLN 60 CO 0.11 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.12 1t3k n ASN 61 N -2.86 0.39 -2.25 0.06 5.03 -1.00 -4.83 115.26 109.81 1t3k n ASN 61 Ca 0.01 0.63 -0.05 0.00 0.87 0.00 0.00 54.58 56.03 1t3k n ASN 61 Cb 0.26 -0.70 -0.01 0.00 -1.02 0.00 0.00 39.78 38.31 1t3k n ASN 61 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1t3k n VAL 62 N -1.97 -0.22 -2.72 2.41 3.14 -0.91 -4.75 118.33 113.32 1t3k n VAL 62 Ca 0.01 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.32 1t3k n VAL 62 Cb 0.12 -0.74 0.06 0.00 -1.06 0.00 0.00 33.84 32.22 1t3k n VAL 62 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1t3k n LYS 63 N -2.42 0.54 0.00 1.45 4.76 -1.26 -5.01 118.16 116.22 1t3k n LYS 63 Ca -0.06 -1.39 0.00 0.00 -2.87 0.00 0.00 58.31 53.99 1t3k n LYS 63 Cb 0.49 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 1t3k n LYS 63 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1t3k n ASP 64 N 1.71 2.94 -2.77 4.39 2.03 -1.26 -5.10 116.55 118.49 1t3k n ASP 64 Ca 0.07 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.37 1t3k n ASP 64 Cb 0.65 0.16 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1t3k n ASP 64 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1t3k n LYS 65 N -1.84 -3.20 -3.66 -0.67 4.81 -1.26 -5.04 118.16 107.30 1t3k n LYS 65 Ca 0.00 2.61 -0.13 0.00 -0.87 0.00 0.00 58.31 59.92 1t3k n LYS 65 Cb 0.33 -5.18 -0.08 0.00 0.02 0.00 0.00 35.03 30.12 1t3k n LYS 65 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1t3k s ASP 66 N -1.72 -0.69 -0.11 3.14 1.01 -1.26 -4.51 116.67 112.54 1t3k s ASP 66 Ca 0.03 1.28 0.03 0.00 0.71 0.00 0.00 52.55 54.61 1t3k s ASP 66 Cb -0.01 1.27 -0.00 0.00 1.01 0.00 0.00 42.92 45.19 1t3k s ASP 66 CO 0.74 -0.22 -0.22 0.42 0.21 0.00 0.00 175.17 176.10 1t3k s THR 67 N 0.58 2.22 -0.17 -1.27 -4.23 0.71 0.32 115.64 113.80 1t3k s THR 67 Ca -0.02 -0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1t3k s THR 67 Cb -0.05 -1.86 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 1t3k s THR 67 CO -0.03 0.55 0.04 -0.22 -0.54 0.00 0.00 174.62 174.43 1t3k s LEU 68 N 0.35 3.70 -0.15 4.79 2.96 -0.50 -0.11 118.68 129.72 1t3k s LEU 68 Ca -0.18 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 1t3k s LEU 68 Cb -0.18 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1t3k s LEU 68 CO 0.08 0.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.50 1t3k s VAL 69 N 0.30 3.11 0.15 1.68 1.01 -0.33 -1.11 120.40 125.22 1t3k s VAL 69 Ca 0.02 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1t3k s VAL 69 Cb -0.13 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1t3k s VAL 69 CO 0.01 0.50 0.26 -0.36 0.00 0.00 0.00 175.10 175.51 1t3k s PHE 70 N 0.65 3.43 0.00 5.22 0.40 -0.56 0.38 117.98 127.50 1t3k s PHE 70 Ca -0.06 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1t3k s PHE 70 Cb -0.15 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.74 1t3k s PHE 70 CO 0.03 0.52 0.00 0.72 0.70 0.00 0.00 175.22 177.18 1t3k n HIS 71 N -0.50 0.00 -1.31 0.36 8.25 -0.61 -4.00 115.22 117.41 1t3k n HIS 71 Ca -0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 1t3k n HIS 71 Cb 0.54 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1t3k n SER 72 N 0.00 -4.74 0.00 0.41 2.88 -1.26 -4.11 113.62 106.79 1t3k n SER 72 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1t3k n SER 72 Cb 0.00 -3.18 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 1t3k n SER 72 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3k n ALA 73 N 1.20 0.00 -2.00 -1.46 0.00 -1.26 -4.74 120.51 112.25 1t3k n ALA 73 Ca -0.11 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1t3k n ALA 73 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.90 1t3k n ALA 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1t3k n LEU 74 N 0.00 0.58 0.28 0.00 -0.00 -1.26 -4.82 117.00 111.78 1t3k n LEU 74 Ca 0.00 -1.56 0.16 0.00 -0.00 0.00 0.00 56.01 54.60 1t3k n LEU 74 Cb 0.00 -0.07 0.85 0.00 -0.00 0.00 0.00 43.42 44.21 1t3k n LEU 74 CO 0.00 0.40 1.05 -1.28 -0.00 0.00 0.00 177.39 177.56 1t3k h SER 75 N 0.27 0.00 -1.03 1.45 0.87 -1.92 0.45 113.55 113.63 1t3k h SER 75 Ca -0.05 0.00 0.27 0.00 -1.23 0.00 0.00 61.79 60.78 1t3k h SER 75 Cb 1.46 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 63.30 1t3k h SER 75 CO 0.02 0.00 0.63 0.06 -0.53 0.00 0.00 176.83 177.01 1t3k h GLN 76 N 0.00 0.45 0.00 2.24 3.07 -1.99 -3.42 115.11 115.45 1t3k h GLN 76 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1t3k h GLN 76 Cb 0.30 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.76 1t3k h GLN 76 CO 0.00 0.30 0.00 1.55 0.09 0.00 0.00 178.83 180.77 1t3k n VAL 77 N -4.83 0.00 0.15 1.86 3.14 -0.93 -4.96 118.33 112.76 1t3k n VAL 77 Ca 0.28 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.69 1t3k n VAL 77 Cb 0.86 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 33.75 1t3k n VAL 77 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1t3k h ARG 78 N 0.00 0.00 -0.94 1.45 3.08 -1.62 -3.34 114.38 113.01 1t3k h ARG 78 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 1t3k h ARG 78 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 1t3k h ARG 78 CO 0.00 0.49 -0.45 0.78 -1.07 0.00 0.00 179.97 179.72 1t3k h GLY 79 N 3.05 -0.23 0.63 0.04 0.00 -0.39 1.23 103.07 107.39 1t3k h GLY 79 Ca -0.00 0.60 0.14 0.00 0.00 0.00 0.00 47.33 48.06 1t3k h GLY 79 CO 0.06 -0.13 0.54 -2.55 0.00 0.00 0.00 176.54 174.46 1t3k h PRO 80 N -0.03 0.56 -0.59 4.80 0.11 -1.85 0.42 132.00 135.41 1t3k h PRO 80 Ca 0.28 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1t3k h PRO 80 Cb 0.54 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1t3k h PRO 80 CO -0.93 0.37 0.29 1.15 -0.21 0.00 0.00 178.00 178.67 1t3k h THR 81 N 0.57 1.19 -0.57 -1.15 2.02 0.13 0.83 112.91 115.93 1t3k h THR 81 Ca 0.40 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1t3k h THR 81 Cb 0.74 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1t3k h THR 81 CO -0.16 0.22 0.35 0.00 0.37 0.00 0.00 175.52 176.30 1t3k h ALA 83 N 1.61 1.14 -0.39 0.00 0.00 -0.39 -1.31 119.26 119.91 1t3k h ALA 83 Ca 0.21 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1t3k h ALA 83 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1t3k h ALA 83 CO -0.04 0.54 0.14 0.00 0.00 0.00 0.00 179.25 179.89 1t3k h ARG 84 N 0.38 0.56 -0.65 0.00 2.47 0.59 -0.68 114.38 117.06 1t3k h ARG 84 Ca 0.06 -0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 1t3k h ARG 84 Cb 0.66 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 1t3k h ARG 84 CO 0.05 0.48 0.23 0.00 0.56 0.00 0.00 179.97 181.28 1t3k h ARG 85 N 0.55 1.00 -0.74 0.04 -0.00 -0.08 0.13 114.38 115.27 1t3k h ARG 85 Ca 0.13 -0.20 0.06 0.00 -0.50 0.00 0.00 59.98 59.48 1t3k h ARG 85 Cb 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 29.97 29.92 1t3k h ARG 85 CO -0.01 0.86 0.49 1.25 0.00 0.00 0.00 179.97 182.56 1t3k h LEU 86 N 0.93 0.69 -1.03 3.04 6.46 -0.60 0.61 115.31 125.42 1t3k h LEU 86 Ca 0.21 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 1t3k h LEU 86 Cb 0.26 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 1t3k h LEU 86 CO -0.01 0.45 -0.08 0.58 -0.62 0.00 0.00 178.44 178.76 1t3k h VAL 87 N 0.78 1.23 -0.72 1.05 2.07 -0.22 -2.37 116.25 118.07 1t3k h VAL 87 Ca 0.32 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1t3k h VAL 87 Cb 0.25 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1t3k h VAL 87 CO -0.11 0.34 0.46 -0.55 0.02 0.00 0.00 177.57 177.73 1t3k h ASN 88 N 0.56 0.76 0.00 0.57 -1.07 0.28 0.30 115.58 116.98 1t3k h ASN 88 Ca 0.11 -0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.47 1t3k h ASN 88 Cb 0.48 -0.17 0.00 0.00 -2.07 0.00 0.00 38.32 36.56 1t3k h ASN 88 CO 0.03 0.53 -0.00 0.22 0.07 0.00 0.00 177.43 178.27 1t3k h TYR 89 N 0.90 -0.00 -0.81 4.14 5.03 -1.08 -0.32 116.97 124.82 1t3k h TYR 89 Ca 0.29 -0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.75 1t3k h TYR 89 Cb 0.00 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.23 1t3k h TYR 89 CO -0.04 0.37 0.53 1.37 -1.32 0.00 0.00 178.16 179.08 1t3k h LEU 90 N -0.38 0.48 -0.76 2.82 8.10 -1.09 0.37 115.31 124.85 1t3k h LEU 90 Ca -0.00 0.03 -0.13 0.00 0.11 0.00 0.00 57.88 57.89 1t3k h LEU 90 Cb 0.38 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 1t3k h LEU 90 CO 0.00 0.25 -0.53 -0.78 -4.11 0.00 0.00 178.44 173.27 1t3k h ASP 91 N 0.51 0.26 -0.57 0.17 3.58 -0.13 1.25 116.42 121.49 1t3k h ASP 91 Ca 0.40 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1t3k h ASP 91 Cb 0.81 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1t3k h ASP 91 CO -0.15 0.74 0.00 1.21 -2.88 0.00 0.00 179.24 178.16 1t3k n GLU 92 N -3.93 2.78 0.00 0.28 2.13 0.11 -4.60 120.64 117.41 1t3k n GLU 92 Ca -0.02 -2.25 0.00 0.00 0.66 0.00 0.00 57.16 55.55 1t3k n GLU 92 Cb 0.57 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1t3k n GLU 92 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1t3k n LYS 93 N 1.10 0.00 0.00 5.31 4.76 -0.08 -5.03 118.16 124.23 1t3k n LYS 93 Ca 0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1t3k n LYS 93 Cb 0.62 -0.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1t3k n LYS 93 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1t3k n LYS 94 N -1.57 0.00 -0.02 1.97 4.81 0.43 -5.04 118.16 118.75 1t3k n LYS 94 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1t3k n LYS 94 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1t3k n GLU 95 N 0.00 -0.03 0.00 1.64 2.13 -1.26 -4.84 120.64 118.27 1t3k n GLU 95 Ca 0.00 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1t3k n GLU 95 Cb 0.00 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 31.67 1t3k n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1t3k n ASP 96 N 0.15 -1.59 -0.12 4.31 2.03 -1.26 -5.00 116.55 115.08 1t3k n ASP 96 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 1t3k n ASP 96 Cb 0.01 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 1t3k n ASP 96 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1t3k n THR 97 N -2.75 1.32 0.00 5.18 -2.24 -1.26 -5.01 114.28 109.52 1t3k n THR 97 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1t3k n THR 97 Cb 0.00 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t3k n GLY 98 N 2.21 2.21 3.77 3.38 0.00 -1.26 -4.78 105.19 110.72 1t3k n GLY 98 Ca -0.42 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1t3k n GLY 98 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1t3k s ILE 99 N -0.55 2.67 -0.00 -0.61 -4.36 -1.26 -4.62 121.20 112.47 1t3k s ILE 99 Ca 0.00 0.66 -0.20 0.00 -0.26 0.00 0.00 60.65 60.84 1t3k s ILE 99 Cb 0.00 -3.41 -0.23 0.00 1.25 0.00 0.00 42.46 40.07 1t3k s ILE 99 CO 0.00 0.14 1.10 0.11 0.24 0.00 0.00 174.94 176.53 1t3k h LYS 100 N 3.19 0.38 -2.48 0.37 1.79 0.48 -3.46 116.57 116.84 1t3k h LYS 100 Ca -0.49 -0.40 -0.08 0.00 -2.18 0.00 0.00 60.65 57.50 1t3k h LYS 100 Cb 1.23 0.11 -0.26 0.00 -1.58 0.00 0.00 32.23 31.73 1t3k h LYS 100 CO 0.65 1.07 -0.29 1.21 -1.08 0.00 0.00 179.45 181.01 1t3k s ASN 101 N -6.67 -0.48 -0.33 0.86 3.84 -1.26 -4.97 114.94 105.92 1t3k s ASN 101 Ca -0.14 1.04 -0.20 0.00 0.21 0.00 0.00 52.86 53.78 1t3k s ASN 101 Cb 0.03 1.19 -0.01 0.00 -0.55 0.00 0.00 41.25 41.92 1t3k s ASN 101 CO 0.81 -0.22 0.60 -0.51 -2.79 0.00 0.00 177.10 174.99 1t3k s ILE 102 N 2.07 4.94 0.22 -5.21 1.10 -1.26 -1.41 121.20 121.66 1t3k s ILE 102 Ca -0.06 0.66 -0.02 0.00 -0.51 0.00 0.00 60.65 60.72 1t3k s ILE 102 Cb -0.10 -4.01 -0.03 0.00 0.15 0.00 0.00 42.46 38.47 1t3k s ILE 102 CO -0.14 -0.20 0.21 0.00 -2.11 0.00 0.00 174.94 172.70 1t3k s MET 103 N 2.58 1.33 0.02 3.50 0.23 -0.26 -1.97 119.30 124.73 1t3k s MET 103 Ca 0.23 -1.61 0.06 0.00 -1.03 0.00 0.00 55.69 53.35 1t3k s MET 103 Cb -0.15 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1t3k s MET 103 CO 0.13 -0.47 -0.16 0.42 -2.03 0.00 0.00 175.02 172.91 1t3k s ILE 104 N -4.03 2.90 0.26 3.16 -1.09 -1.11 -1.50 121.20 119.79 1t3k s ILE 104 Ca 0.36 -1.05 -0.29 0.00 -2.23 0.00 0.00 60.65 57.44 1t3k s ILE 104 Cb 0.05 -2.20 -0.09 0.00 -1.58 0.00 0.00 42.46 38.64 1t3k s ILE 104 CO 0.13 0.40 1.15 -1.48 -1.23 0.00 0.00 174.94 173.91 1t3k s LEU 105 N -1.26 4.51 -1.03 2.97 -0.00 -1.26 -2.52 118.68 120.09 1t3k s LEU 105 Ca 0.14 2.31 -0.25 0.00 -0.00 0.00 0.00 54.13 56.33 1t3k s LEU 105 Cb -0.11 -3.62 -0.12 0.00 -0.00 0.00 0.00 46.19 42.34 1t3k s LEU 105 CO 0.04 -0.24 2.06 -1.61 -0.00 0.00 0.00 176.35 176.60 1t3k s GLU 106 N -1.18 2.03 -0.98 1.48 8.01 -0.46 -3.51 118.70 124.10 1t3k s GLU 106 Ca 0.47 -0.51 -0.05 0.00 0.01 0.00 0.00 54.97 54.89 1t3k s GLU 106 Cb -0.33 -5.06 -0.05 0.00 -4.31 0.00 0.00 34.13 24.38 1t3k s GLU 106 CO 0.41 -4.30 0.86 -2.13 0.01 0.00 0.00 175.26 170.11 1t3k n ARG 107 N 8.48 -1.97 -0.25 1.61 0.63 -1.26 -4.53 116.66 119.37 1t3k n ARG 107 Ca 0.43 1.00 -0.11 0.00 -0.92 0.00 0.00 57.85 58.25 1t3k n ARG 107 Cb 0.46 -5.70 -0.03 0.00 0.45 0.00 0.00 32.46 27.64 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t3k n GLY 108 N -1.39 1.06 2.30 5.14 0.00 -1.23 -4.14 105.19 106.94 1t3k n GLY 108 Ca -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 1t3k n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t3k n PHE 109 N 5.55 -1.86 -0.16 1.61 3.72 -1.26 -4.10 117.46 120.95 1t3k n PHE 109 Ca 0.11 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.44 1t3k n PHE 109 Cb 0.12 -1.01 0.07 0.00 -0.94 0.00 0.00 39.48 37.72 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1t3k h ASN 110 N 0.00 0.94 -0.20 4.37 2.35 -1.85 -2.22 115.58 118.97 1t3k h ASN 110 Ca -0.00 -0.28 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 1t3k h ASN 110 Cb 0.87 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1t3k h ASN 110 CO 0.00 1.02 -0.17 1.23 -1.65 0.00 0.00 177.43 177.86 1t3k h GLY 111 N 0.98 0.67 0.67 2.83 0.00 -1.89 0.14 103.07 106.47 1t3k h GLY 111 Ca 0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1t3k h GLY 111 CO 0.03 0.48 -0.13 -0.25 0.00 0.00 0.00 176.54 176.67 1t3k h TRP 112 N 0.56 -0.33 -0.63 5.60 7.01 -1.84 1.74 115.95 128.06 1t3k h TRP 112 Ca 0.09 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.03 1t3k h TRP 112 Cb 0.61 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.76 1t3k h TRP 112 CO 0.03 -0.00 0.17 1.49 -2.79 0.00 0.00 178.44 177.33 1t3k h GLU 113 N -0.70 0.99 -0.05 2.65 4.81 -1.41 1.78 114.58 122.65 1t3k h GLU 113 Ca -0.04 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1t3k h GLU 113 Cb 0.48 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1t3k h GLU 113 CO 0.06 0.89 -0.01 0.00 -0.73 0.00 0.00 179.01 179.22 1t3k h ALA 114 N 1.06 0.07 0.00 2.92 0.00 -0.71 -3.42 119.26 119.17 1t3k h ALA 114 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t3k h ALA 114 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1t3k h ALA 114 CO -0.00 -0.24 -0.40 -1.13 0.00 0.00 0.00 179.25 177.48 1t3k n SER 115 N -4.86 1.91 -0.16 0.00 3.41 0.52 -4.87 113.62 109.57 1t3k n SER 115 Ca -0.07 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.49 1t3k n SER 115 Cb 0.20 0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.32 1t3k n SER 115 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1t3k h GLY 116 N 0.00 0.03 0.00 5.00 0.00 0.79 -3.47 103.07 105.42 1t3k h GLY 116 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1t3k h GLY 116 CO 0.00 -0.21 0.00 1.17 0.00 0.00 0.00 176.54 177.50 1t3k n LYS 117 N -5.42 0.00 -1.46 4.80 4.81 0.53 -4.98 118.16 116.44 1t3k n LYS 117 Ca 0.04 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.29 1t3k n LYS 117 Cb 0.33 0.00 -0.19 0.00 0.02 0.00 0.00 35.03 35.19 1t3k n LYS 117 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1t3k n PRO 118 N 0.00 0.08 -3.45 1.64 -0.02 -1.26 -4.84 135.00 127.14 1t3k n PRO 118 Ca 0.00 -0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.00 1t3k n PRO 118 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 33.50 32.02 1t3k n PRO 118 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t3k s VAL 119 N 2.28 4.96 0.00 -1.45 -7.23 -1.26 -4.94 120.40 112.75 1t3k s VAL 119 Ca 1.14 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 61.87 1t3k s VAL 119 Cb -0.66 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 32.61 1t3k s VAL 119 CO 0.45 0.13 0.00 0.00 -0.31 0.00 0.00 175.10 175.36 1t3k n ARG 121 N 0.00 0.00 0.00 0.00 0.63 -1.26 -4.84 116.66 111.19 1t3k n ARG 121 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1t3k n ARG 121 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1t3k n ALA 123 N 0.00 -1.26 -2.61 0.00 0.00 -1.26 -4.93 120.51 110.45 1t3k n ALA 123 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.02 1t3k n ALA 123 Cb 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 1t3k n ALA 123 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1t3k s GLU 124 N 0.02 1.95 -0.07 0.00 0.41 -1.26 -5.08 118.70 114.67 1t3k s GLU 124 Ca 0.01 -2.15 -0.20 0.00 -0.41 0.00 0.00 54.97 52.22 1t3k s GLU 124 Cb 0.06 -1.32 -0.29 0.00 -1.78 0.00 0.00 34.13 30.79 1t3k s GLU 124 CO -0.02 -0.21 0.75 0.28 -0.49 0.00 0.00 175.26 175.57 1t3k h VAL 125 N 1.74 1.32 -1.34 2.63 2.07 -2.02 -3.32 116.25 117.33 1t3k h VAL 125 Ca -0.42 -2.47 0.39 0.00 0.82 0.00 0.00 66.70 65.01 1t3k h VAL 125 Cb 1.26 3.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.98 1t3k h VAL 125 CO 0.74 0.70 1.01 -0.65 0.02 0.00 0.00 177.57 179.39 1t3k h PRO 126 N -0.38 0.00 -6.45 1.57 0.11 -2.04 -3.39 132.00 121.43 1t3k h PRO 126 Ca -0.21 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.37 1t3k h PRO 126 Cb 1.66 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.74 1t3k h PRO 126 CO 0.10 0.00 0.05 0.00 -0.21 0.00 0.00 178.00 177.95 1t3k n LYS 128 N 1.09 -0.15 0.00 0.00 3.00 -1.26 -4.90 118.16 115.93 1t3k n LYS 128 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1t3k n LYS 128 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t3k n GLY 129 N 0.00 -1.56 2.79 3.14 0.00 -1.24 -4.89 105.19 103.42 1t3k n GLY 129 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1t3k n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t3k s ASP 130 N -1.80 1.19 -0.01 1.61 2.15 0.30 -4.40 116.67 115.72 1t3k s ASP 130 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1t3k s ASP 130 Cb 0.00 0.32 0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1t3k s ASP 130 CO 0.00 -0.30 0.47 0.00 -0.17 0.00 0.00 175.17 175.17