#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 -2.16 -3.49 3.17 0.00 -1.26 -5.01 120.51 111.76 1t3k n ALA 2 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.57 1t3k n ALA 2 Cb 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 1t3k n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1t3k s MET 3 N -1.60 0.64 -0.24 0.00 1.00 -1.26 -5.09 119.30 112.74 1t3k s MET 3 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 55.69 54.29 1t3k s MET 3 Cb 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 34.83 33.47 1t3k s MET 3 CO 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 175.02 173.78 1t3k s ALA 4 N 0.99 1.92 0.01 3.03 0.00 -1.26 -5.05 121.76 121.39 1t3k s ALA 4 Ca 0.18 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1t3k s ALA 4 Cb -0.23 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1t3k s ALA 4 CO 0.01 -1.24 0.03 0.54 0.00 0.00 0.00 175.76 175.09 1t3k n ARG 5 N 4.69 0.02 0.00 0.00 3.00 -1.26 -5.10 116.66 118.01 1t3k n ARG 5 Ca -0.10 -0.04 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 1t3k n ARG 5 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.96 1t3k n ARG 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1t3k n SER 6 N -0.70 0.00 -4.76 0.55 2.88 -1.26 -4.67 113.62 105.65 1t3k n SER 6 Ca -0.00 0.60 -0.39 0.00 -1.33 0.00 0.00 58.87 57.75 1t3k n SER 6 Cb 0.02 -0.10 -0.05 0.00 -0.75 0.00 0.00 64.21 63.32 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 -1.39 4.84 0.01 2.46 -1.16 -1.26 -4.72 121.20 119.98 1t3k s ILE 7 Ca 0.00 1.37 0.02 0.00 -0.51 0.00 0.00 60.65 61.53 1t3k s ILE 7 Cb 0.00 -3.99 -0.01 0.00 0.61 0.00 0.00 42.46 39.07 1t3k s ILE 7 CO 0.00 0.41 -0.06 -0.44 -2.81 0.00 0.00 174.94 172.03 1t3k s SER 8 N -0.18 0.73 0.10 4.50 0.01 -0.84 -5.00 113.70 113.02 1t3k s SER 8 Ca 0.33 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.42 1t3k s SER 8 Cb -0.19 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1t3k s SER 8 CO 0.19 -0.03 -0.22 -0.72 0.41 0.00 0.00 173.24 172.87 1t3k s TYR 9 N -0.57 1.92 0.02 2.43 1.13 -1.26 -2.75 117.35 118.27 1t3k s TYR 9 Ca -0.02 -0.40 -0.04 0.00 -1.41 0.00 0.00 57.07 55.19 1t3k s TYR 9 Cb -0.05 -1.07 -0.01 0.00 -1.10 0.00 0.00 41.96 39.73 1t3k s TYR 9 CO 0.00 0.21 0.07 0.96 -2.51 0.00 0.00 175.55 174.28 1t3k s ILE 10 N -1.07 0.12 0.83 -3.49 -0.00 -0.67 -4.86 121.20 112.06 1t3k s ILE 10 Ca 0.08 -0.95 -0.12 0.00 -0.00 0.00 0.00 60.65 59.66 1t3k s ILE 10 Cb -0.10 -0.61 0.09 0.00 -0.00 0.00 0.00 42.46 41.84 1t3k s ILE 10 CO 0.04 -0.53 1.17 -0.89 -0.00 0.00 0.00 174.94 174.74 1t3k s THR 11 N -1.99 2.00 0.00 8.37 2.01 -1.26 -3.83 115.64 120.94 1t3k s THR 11 Ca -0.10 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1t3k s THR 11 Cb -0.05 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1t3k s THR 11 CO -0.02 0.00 0.98 -1.20 -0.69 0.00 0.00 174.62 173.69 1t3k n SER 12 N -3.42 0.00 -0.14 3.53 7.64 -1.26 -0.46 113.62 119.52 1t3k n SER 12 Ca 0.08 0.98 -0.00 0.00 1.01 0.00 0.00 58.87 60.93 1t3k n SER 12 Cb 0.61 -0.48 0.25 0.00 -1.01 0.00 0.00 64.21 63.57 1t3k n SER 12 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1t3k h THR 13 N 0.00 1.20 -0.09 0.44 1.35 -2.02 -0.71 112.91 113.08 1t3k h THR 13 Ca 0.00 -0.56 0.02 0.00 -0.55 0.00 0.00 66.41 65.33 1t3k h THR 13 Cb 0.00 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 66.86 1t3k h THR 13 CO 0.00 0.23 0.17 1.56 -0.25 0.00 0.00 175.52 177.24 1t3k h GLN 14 N 0.83 0.00 0.00 4.72 1.08 -1.45 0.74 115.11 121.03 1t3k h GLN 14 Ca 0.21 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.32 1t3k h GLN 14 Cb 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1t3k h GLN 14 CO -0.03 0.00 -0.40 1.37 -0.95 0.00 0.00 178.83 178.83 1t3k h LEU 15 N 0.00 0.00 0.24 1.46 8.10 0.83 -2.45 115.31 123.49 1t3k h LEU 15 Ca 0.04 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 1t3k h LEU 15 Cb 0.39 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.60 1t3k h LEU 15 CO -0.00 0.40 -0.17 0.25 -4.11 0.00 0.00 178.44 174.81 1t3k h LEU 16 N 0.00 -0.43 0.00 0.17 7.12 0.47 0.50 115.31 123.14 1t3k h LEU 16 Ca -0.00 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1t3k h LEU 16 Cb 1.07 0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1t3k h LEU 16 CO 0.05 -0.27 -0.40 1.55 -0.13 0.00 0.00 178.44 179.24 1t3k h PRO 17 N -0.41 0.00 -1.08 5.25 0.13 -1.64 -3.34 132.00 130.90 1t3k h PRO 17 Ca -0.02 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.52 1t3k h PRO 17 Cb 0.35 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.08 1t3k h PRO 17 CO 0.00 0.07 -0.47 -0.11 -0.23 0.00 0.00 178.00 177.26 1t3k n LEU 18 N -2.98 5.37 0.00 1.56 -0.00 -0.92 -4.80 117.00 115.23 1t3k n LEU 18 Ca 0.02 -4.83 0.00 0.00 -0.00 0.00 0.00 56.01 51.20 1t3k n LEU 18 Cb 0.57 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 1t3k n LEU 18 CO 0.37 2.05 0.00 1.41 -0.00 0.00 0.00 177.39 181.22 1t3k n HIS 19 N -0.66 0.00 -2.36 1.96 8.25 0.16 -4.73 115.22 117.83 1t3k n HIS 19 Ca 0.46 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.67 1t3k n HIS 19 Cb 0.80 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.92 1t3k n HIS 19 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1t3k n ARG 20 N 0.00 3.31 -4.15 -0.41 1.74 -1.26 -4.60 116.66 111.28 1t3k n ARG 20 Ca 0.00 -4.31 -0.14 0.00 -0.77 0.00 0.00 57.85 52.63 1t3k n ARG 20 Cb 0.00 -2.18 -0.11 0.00 -1.02 0.00 0.00 32.46 29.15 1t3k n ARG 20 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1t3k s ARG 21 N -3.54 0.79 0.48 5.56 0.52 -1.26 -5.04 118.95 116.45 1t3k s ARG 21 Ca 0.47 -1.09 0.19 0.00 -0.52 0.00 0.00 55.73 54.78 1t3k s ARG 21 Cb 0.40 -0.48 1.17 0.00 0.52 0.00 0.00 34.95 36.57 1t3k s ARG 21 CO -0.10 0.07 2.03 -1.00 0.02 0.00 0.00 175.30 176.31 1t3k h PRO 22 N 3.72 0.00 -4.19 3.54 0.13 -1.96 -3.34 132.00 129.91 1t3k h PRO 22 Ca -0.37 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.33 1t3k h PRO 22 Cb 1.19 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.37 1t3k h PRO 22 CO 0.51 0.16 1.94 0.09 -0.23 0.00 0.00 178.00 180.47 1t3k n ASN 23 N -4.08 2.38 -3.82 1.44 5.03 -1.26 -4.82 115.26 110.12 1t3k n ASN 23 Ca -0.02 -2.40 -0.21 0.00 0.87 0.00 0.00 54.58 52.82 1t3k n ASN 23 Cb 0.24 -0.86 -0.17 0.00 -1.02 0.00 0.00 39.78 37.97 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1t3k s ILE 24 N 4.94 0.38 -0.25 2.41 1.10 -1.26 0.19 121.20 128.72 1t3k s ILE 24 Ca 0.43 0.04 -0.18 0.00 -0.51 0.00 0.00 60.65 60.43 1t3k s ILE 24 Cb 0.10 -0.49 0.07 0.00 0.15 0.00 0.00 42.46 42.30 1t3k s ILE 24 CO 0.10 0.23 0.64 0.00 -2.11 0.00 0.00 174.94 173.79 1t3k s ALA 25 N 1.45 -1.65 -0.28 1.50 0.00 -0.31 -4.91 121.76 117.56 1t3k s ALA 25 Ca -0.03 2.05 -0.09 0.00 0.00 0.00 0.00 51.96 53.89 1t3k s ALA 25 Cb -0.13 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1t3k s ALA 25 CO -0.03 -0.33 0.13 0.42 0.00 0.00 0.00 175.76 175.95 1t3k s ILE 26 N 1.04 4.64 -0.20 0.00 1.09 -1.26 -1.92 121.20 124.59 1t3k s ILE 26 Ca -0.06 -0.20 -0.14 0.00 -1.10 0.00 0.00 60.65 59.16 1t3k s ILE 26 Cb -0.05 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 38.04 1t3k s ILE 26 CO -0.10 0.21 0.29 0.27 -0.10 0.00 0.00 174.94 175.51 1t3k s ILE 27 N 1.65 5.28 0.39 2.92 -0.00 0.10 -0.83 121.20 130.71 1t3k s ILE 27 Ca 0.06 0.49 0.08 0.00 -0.00 0.00 0.00 60.65 61.28 1t3k s ILE 27 Cb -0.16 -3.63 -0.05 0.00 -0.00 0.00 0.00 42.46 38.62 1t3k s ILE 27 CO 0.06 0.33 0.14 -0.62 -0.00 0.00 0.00 174.94 174.85 1t3k s ASP 28 N 0.84 4.39 -0.59 4.36 2.15 -1.26 -2.23 116.67 124.34 1t3k s ASP 28 Ca 0.15 -1.03 0.02 0.00 0.43 0.00 0.00 52.55 52.12 1t3k s ASP 28 Cb -0.14 -0.52 0.41 0.00 -0.30 0.00 0.00 42.92 42.37 1t3k s ASP 28 CO 0.05 -0.45 1.56 1.33 -0.17 0.00 0.00 175.17 177.49 1t3k n VAL 29 N -1.16 2.98 -4.39 1.11 0.24 -1.15 -1.63 118.33 114.34 1t3k n VAL 29 Ca -0.02 -4.35 -0.34 0.00 -2.04 0.00 0.00 64.34 57.59 1t3k n VAL 29 Cb 0.64 -1.23 -0.13 0.00 -1.47 0.00 0.00 33.84 31.65 1t3k n VAL 29 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1t3k s ARG 30 N -3.77 3.57 0.99 7.34 3.00 0.58 -4.18 118.95 126.49 1t3k s ARG 30 Ca 0.52 -0.57 -0.20 0.00 0.00 0.00 0.00 55.73 55.49 1t3k s ARG 30 Cb 0.43 -2.89 -0.01 0.00 0.00 0.00 0.00 34.95 32.48 1t3k s ARG 30 CO -0.21 0.16 -0.55 -0.25 0.00 0.00 0.00 175.30 174.45 1t3k n ASP 31 N 3.75 -2.69 -0.20 0.23 9.92 -1.26 -3.59 116.55 122.72 1t3k n ASP 31 Ca -0.18 -0.12 0.22 0.00 -0.53 0.00 0.00 54.79 54.18 1t3k n ASP 31 Cb 0.52 -0.70 0.58 0.00 -0.64 0.00 0.00 41.12 40.89 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1t3k h GLU 32 N -1.77 0.26 0.17 -1.24 4.57 -1.93 0.76 114.58 115.40 1t3k h GLU 32 Ca -0.38 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.78 1t3k h GLU 32 Cb 1.14 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1t3k h GLU 32 CO 0.24 0.17 -0.08 1.49 -1.18 0.00 0.00 179.01 179.65 1t3k h GLU 33 N 0.26 -0.22 0.00 1.92 4.57 -2.01 -2.90 114.58 116.21 1t3k h GLU 33 Ca 0.44 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1t3k h GLU 33 Cb 1.29 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1t3k h GLU 33 CO -0.12 0.21 0.00 0.54 -1.18 0.00 0.00 179.01 178.46 1t3k n ARG 34 N -4.93 0.11 0.08 1.92 1.74 -0.84 -1.86 116.66 112.87 1t3k n ARG 34 Ca -0.08 0.34 -0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1t3k n ARG 34 Cb 0.26 -1.70 -0.07 0.00 -1.02 0.00 0.00 32.46 29.93 1t3k n ARG 34 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1t3k h ASN 35 N 0.00 -0.23 1.37 0.55 -0.73 0.59 -3.27 115.58 113.86 1t3k h ASN 35 Ca 0.00 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 57.84 1t3k h ASN 35 Cb 0.33 0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.97 1t3k h ASN 35 CO 0.00 0.29 -0.15 0.10 -0.37 0.00 0.00 177.43 177.31 1t3k h TYR 36 N -0.88 0.00 -1.78 0.67 -0.00 -1.45 -3.28 116.97 110.26 1t3k h TYR 36 Ca -0.03 0.00 0.54 0.00 -0.00 0.00 0.00 58.73 59.24 1t3k h TYR 36 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 36.73 37.14 1t3k h TYR 36 CO 0.07 0.15 1.24 0.22 -0.00 0.00 0.00 178.16 179.84 1t3k h ASP 37 N 0.00 0.07 -3.45 0.10 3.58 -1.42 -3.41 116.42 111.89 1t3k h ASP 37 Ca -0.00 0.05 -0.57 0.00 0.42 0.00 0.00 57.03 56.93 1t3k h ASP 37 Cb 0.87 0.06 0.17 0.00 1.72 0.00 0.00 39.33 42.15 1t3k h ASP 37 CO 0.02 -0.09 -0.05 0.61 -2.88 0.00 0.00 179.24 176.85 1t3k n GLY 38 N -1.79 -0.74 2.85 -0.78 0.00 -1.24 -5.00 105.19 98.49 1t3k n GLY 38 Ca 0.43 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1t3k n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t3k s HIS 39 N -1.66 1.55 -2.13 1.61 3.76 -1.26 -4.42 115.29 112.73 1t3k s HIS 39 Ca 0.73 -1.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 1t3k s HIS 39 Cb -0.40 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1t3k s HIS 39 CO 0.50 -0.61 0.00 -0.89 -0.85 0.00 0.00 174.74 172.89 1t3k n ILE 40 N 4.91 -0.07 -3.86 0.60 5.41 -1.26 -2.34 119.36 122.75 1t3k n ILE 40 Ca -0.11 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.53 1t3k n ILE 40 Cb 0.47 -2.02 -0.12 0.00 -0.71 0.00 0.00 39.64 37.26 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 -2.77 -0.23 0.00 -1.39 0.00 0.42 -4.01 121.76 113.78 1t3k s ALA 41 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1t3k s ALA 41 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1t3k s ALA 41 CO 0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1t3k n GLY 42 N 2.53 1.11 3.51 0.00 0.00 -1.05 -1.79 105.19 109.51 1t3k n GLY 42 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1t3k n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t3k n SER 43 N 0.00 -3.76 -4.01 1.61 7.64 -1.25 -4.76 113.62 109.10 1t3k n SER 43 Ca 0.00 -0.79 -0.23 0.00 1.01 0.00 0.00 58.87 58.86 1t3k n SER 43 Cb 0.00 -4.46 -0.16 0.00 -1.01 0.00 0.00 64.21 58.58 1t3k n SER 43 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t3k s LEU 44 N -6.20 1.65 0.11 -3.43 1.43 -0.01 -4.26 118.68 107.97 1t3k s LEU 44 Ca 0.23 -0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1t3k s LEU 44 Cb -0.05 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1t3k s LEU 44 CO 0.79 0.04 -0.16 -2.28 0.23 0.00 0.00 176.35 174.96 1t3k s HIS 45 N 0.56 1.48 0.00 0.29 2.46 -0.64 -4.16 115.29 115.27 1t3k s HIS 45 Ca -0.11 -0.49 0.00 0.00 0.47 0.00 0.00 55.06 54.93 1t3k s HIS 45 Cb -0.14 -0.79 0.00 0.00 -0.13 0.00 0.00 32.58 31.52 1t3k s HIS 45 CO 0.02 0.15 0.00 2.48 -2.47 0.00 0.00 174.74 174.93 1t3k n TYR 46 N 0.84 0.00 -2.20 3.88 4.11 -0.94 -0.79 117.16 122.05 1t3k n TYR 46 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1t3k n TYR 46 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.89 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 -1.82 0.00 -1.50 -3.48 0.00 -1.24 0.22 120.51 112.69 1t3k n ALA 47 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1t3k n ALA 47 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.09 1.00 0.13 0.00 7.64 -1.26 -4.62 113.62 115.42 1t3k n SER 48 Ca 0.00 -2.37 0.13 0.00 1.01 0.00 0.00 58.87 57.64 1t3k n SER 48 Cb 0.00 -0.27 0.35 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.00 0.00 0.00 0.23 0.00 -1.97 -3.36 103.07 97.98 1t3k h GLY 49 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1t3k h GLY 49 CO 0.00 0.00 -1.41 -1.26 0.00 0.00 0.00 176.54 173.87 1t3k n SER 50 N -2.45 1.43 -1.39 0.19 2.88 -1.26 -4.96 113.62 108.05 1t3k n SER 50 Ca 0.05 0.24 -0.08 0.00 -1.33 0.00 0.00 58.87 57.75 1t3k n SER 50 Cb 0.45 -0.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.32 1t3k n SER 50 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1t3k n PHE 51 N -3.94 -0.75 -2.00 0.66 1.16 -1.26 -4.44 117.46 106.89 1t3k n PHE 51 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.34 1t3k n PHE 51 Cb 0.57 -1.98 0.00 0.00 -1.61 0.00 0.00 39.48 36.46 1t3k n PHE 51 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1t3k n ASP 52 N -0.14 0.00 -0.01 5.98 2.03 -1.26 -4.90 116.55 118.25 1t3k n ASP 52 Ca -0.08 -1.18 0.02 0.00 0.52 0.00 0.00 54.79 54.07 1t3k n ASP 52 Cb 0.30 -0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.61 1t3k n ASP 52 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1t3k n ASP 53 N 0.00 3.21 -1.09 1.67 5.75 -1.26 -4.56 116.55 120.27 1t3k n ASP 53 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.86 1t3k n ASP 53 Cb 0.54 1.20 0.26 0.00 -1.03 0.00 0.00 41.12 42.09 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1t3k n LYS 54 N -1.89 3.18 0.03 0.11 4.76 -1.26 -4.35 118.16 118.75 1t3k n LYS 54 Ca -0.04 -2.57 -0.13 0.00 -2.87 0.00 0.00 58.31 52.70 1t3k n LYS 54 Cb 0.33 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.75 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 2.91 1.14 0.00 -0.18 1.08 -1.91 -3.04 117.51 117.50 1t3k h ILE 55 Ca 0.00 -2.86 0.00 0.00 -0.39 0.00 0.00 64.86 61.61 1t3k h ILE 55 Cb 1.16 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 37.57 1t3k h ILE 55 CO 0.13 0.76 -0.36 -1.20 -0.69 0.00 0.00 178.15 176.78 1t3k n SER 56 N -3.32 0.62 -0.02 1.72 7.64 -1.26 -2.57 113.62 116.43 1t3k n SER 56 Ca -0.14 0.24 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 1t3k n SER 56 Cb 1.03 -0.17 -0.10 0.00 -1.01 0.00 0.00 64.21 63.96 1t3k n SER 56 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1t3k h HIS 57 N 0.00 -0.05 0.00 1.43 6.17 -1.75 0.04 115.15 120.99 1t3k h HIS 57 Ca 0.00 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.00 1t3k h HIS 57 Cb 0.68 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 1t3k h HIS 57 CO 0.00 0.58 -0.38 1.25 0.71 0.00 0.00 177.93 180.08 1t3k h LEU 58 N -0.73 0.00 -0.59 0.26 5.85 -1.61 -1.81 115.31 116.68 1t3k h LEU 58 Ca -0.01 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 1t3k h LEU 58 Cb 0.64 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1t3k h LEU 58 CO 0.01 0.38 -0.45 0.58 -0.34 0.00 0.00 178.44 178.62 1t3k h VAL 59 N 0.00 1.30 -0.02 1.05 2.07 -1.47 0.31 116.25 119.49 1t3k h VAL 59 Ca -0.00 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 65.73 1t3k h VAL 59 Cb 0.73 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1t3k h VAL 59 CO 0.05 0.52 -0.63 1.56 0.02 0.00 0.00 177.57 179.09 1t3k h GLN 60 N 0.49 0.09 0.00 1.57 1.08 -0.42 -3.37 115.11 114.54 1t3k h GLN 60 Ca 0.03 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1t3k h GLN 60 Cb 0.98 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1t3k h GLN 60 CO 0.09 0.69 -0.53 0.09 -0.95 0.00 0.00 178.83 178.21 1t3k n ASN 61 N -3.81 1.62 -4.30 1.46 5.03 -0.73 -4.96 115.26 109.56 1t3k n ASN 61 Ca -0.02 0.53 -0.34 0.00 0.87 0.00 0.00 54.58 55.62 1t3k n ASN 61 Cb 0.63 -0.81 -0.07 0.00 -1.02 0.00 0.00 39.78 38.52 1t3k n ASN 61 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1t3k n VAL 62 N -4.32 -1.09 1.15 2.41 0.24 0.11 -4.77 118.33 112.06 1t3k n VAL 62 Ca -0.07 -0.26 0.07 0.00 -2.04 0.00 0.00 64.34 62.03 1t3k n VAL 62 Cb 0.28 -1.29 0.39 0.00 -1.47 0.00 0.00 33.84 31.75 1t3k n VAL 62 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1t3k n LYS 63 N -4.37 0.57 0.00 7.34 4.76 -1.26 -4.82 118.16 120.39 1t3k n LYS 63 Ca -0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.32 1t3k n LYS 63 Cb 0.59 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 1t3k n LYS 63 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1t3k n ASP 64 N -0.86 0.00 -3.70 4.39 5.75 -1.07 -4.57 116.55 116.48 1t3k n ASP 64 Ca 0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.63 1t3k n ASP 64 Cb 0.05 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.07 1t3k n ASP 64 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1t3k n LYS 65 N 0.00 0.00 -3.61 0.11 4.01 -1.26 -2.69 118.16 114.71 1t3k n LYS 65 Ca 0.00 -0.56 -0.04 0.00 -0.51 0.00 0.00 58.31 57.21 1t3k n LYS 65 Cb 0.00 -1.84 -0.06 0.00 -0.51 0.00 0.00 35.03 32.62 1t3k n LYS 65 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1t3k s ASP 66 N 5.20 -0.78 -0.16 4.39 -1.08 -1.26 -4.33 116.67 118.64 1t3k s ASP 66 Ca 0.38 1.27 -0.15 0.00 -0.52 0.00 0.00 52.55 53.52 1t3k s ASP 66 Cb 0.08 1.90 -0.04 0.00 -1.46 0.00 0.00 42.92 43.40 1t3k s ASP 66 CO 0.19 -0.23 0.35 0.42 0.52 0.00 0.00 175.17 176.42 1t3k s THR 67 N 2.78 5.26 -0.09 1.71 -4.23 0.51 0.23 115.64 121.81 1t3k s THR 67 Ca -0.02 0.66 0.04 0.00 -1.18 0.00 0.00 61.69 61.19 1t3k s THR 67 Cb -0.12 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1t3k s THR 67 CO -0.17 0.35 -0.22 -1.48 -0.54 0.00 0.00 174.62 172.56 1t3k s LEU 68 N 0.65 2.02 -0.17 4.79 2.34 -0.26 -1.17 118.68 126.88 1t3k s LEU 68 Ca 0.19 -0.51 0.00 0.00 0.06 0.00 0.00 54.13 53.87 1t3k s LEU 68 Cb -0.14 -1.30 0.01 0.00 -0.56 0.00 0.00 46.19 44.20 1t3k s LEU 68 CO 0.06 0.15 -0.17 -0.69 -1.06 0.00 0.00 176.35 174.64 1t3k s VAL 69 N 0.33 2.41 0.12 1.48 1.01 -0.81 -0.32 120.40 124.62 1t3k s VAL 69 Ca -0.16 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1t3k s VAL 69 Cb -0.17 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 1t3k s VAL 69 CO 0.08 0.52 0.20 0.72 0.00 0.00 0.00 175.10 176.61 1t3k s PHE 70 N 1.07 3.37 0.00 5.22 -0.71 -0.82 -0.73 117.98 125.38 1t3k s PHE 70 Ca -0.01 0.11 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 1t3k s PHE 70 Cb -0.14 -1.65 0.00 0.00 -1.21 0.00 0.00 43.02 40.02 1t3k s PHE 70 CO -0.05 0.54 0.00 0.72 -1.34 0.00 0.00 175.22 175.08 1t3k n HIS 71 N -0.14 0.00 -2.52 3.49 8.25 -0.94 -2.31 115.22 121.05 1t3k n HIS 71 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.38 1t3k n HIS 71 Cb 0.53 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 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 -5.98 -0.66 0.41 2.88 -1.25 -2.08 113.62 106.94 1t3k n SER 72 Ca 0.00 1.22 -0.08 0.00 -1.33 0.00 0.00 58.87 58.68 1t3k n SER 72 Cb 0.00 -4.70 -0.03 0.00 -0.75 0.00 0.00 64.21 58.73 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 0.75 -0.14 -1.07 -1.46 0.00 0.44 -2.04 120.51 117.00 1t3k n ALA 73 Ca -0.07 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 1t3k n ALA 73 Cb 0.10 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 1t3k n ALA 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1t3k n LEU 74 N -0.95 0.15 -1.86 0.00 4.77 -1.22 -3.40 117.00 114.49 1t3k n LEU 74 Ca -0.08 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1t3k n LEU 74 Cb 0.30 -1.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.00 1t3k n LEU 74 CO 0.12 -0.43 -0.02 -1.20 -1.33 0.00 0.00 177.39 174.52 1t3k n SER 75 N -0.17 -1.10 -3.91 -1.43 7.64 -0.86 0.20 113.62 113.99 1t3k n SER 75 Ca -0.02 0.27 -0.27 0.00 1.01 0.00 0.00 58.87 59.86 1t3k n SER 75 Cb 0.23 -1.21 0.01 0.00 -1.01 0.00 0.00 64.21 62.23 1t3k n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1t3k n GLN 76 N -1.93 -4.42 0.00 1.43 1.13 -1.22 -0.08 117.38 112.29 1t3k n GLN 76 Ca -0.02 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 1t3k n GLN 76 Cb 0.32 -5.09 0.00 0.00 0.11 0.00 0.00 30.24 25.59 1t3k n GLN 76 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1t3k n VAL 77 N -4.45 0.00 0.17 5.09 0.31 0.13 -4.86 118.33 114.73 1t3k n VAL 77 Ca -0.15 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.23 1t3k n VAL 77 Cb 0.61 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.71 1t3k n VAL 77 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1t3k h ARG 78 N 2.34 0.00 -0.55 5.55 -0.00 -0.56 -3.36 114.38 117.80 1t3k h ARG 78 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.54 1t3k h ARG 78 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 29.90 1t3k h ARG 78 CO 0.00 0.38 -0.29 0.41 0.00 0.00 0.00 179.97 180.47 1t3k n GLY 79 N 0.86 -1.35 0.37 0.04 0.00 -1.23 0.28 105.19 104.17 1t3k n GLY 79 Ca 0.01 0.64 0.04 0.00 0.00 0.00 0.00 46.02 46.72 1t3k n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1t3k h PRO 80 N 0.00 1.00 -0.28 1.61 0.13 -1.90 0.11 132.00 132.68 1t3k h PRO 80 Ca 0.12 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1t3k h PRO 80 Cb 0.26 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1t3k h PRO 80 CO -0.53 0.66 0.09 1.15 -0.23 0.00 0.00 178.00 179.14 1t3k h THR 81 N 1.03 1.13 -0.48 1.56 2.02 0.39 0.18 112.91 118.74 1t3k h THR 81 Ca 0.40 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1t3k h THR 81 Cb 0.23 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1t3k h THR 81 CO -0.16 0.15 0.27 0.00 0.37 0.00 0.00 175.52 176.15 1t3k h ALA 83 N 1.11 1.32 -0.36 0.00 0.00 -0.77 -1.55 119.26 119.01 1t3k h ALA 83 Ca 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1t3k h ALA 83 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1t3k h ALA 83 CO -0.03 0.51 0.06 0.00 0.00 0.00 0.00 179.25 179.79 1t3k h ARG 84 N 0.02 0.54 -0.20 0.00 2.47 0.69 0.75 114.38 118.64 1t3k h ARG 84 Ca -0.00 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 1t3k h ARG 84 Cb 0.72 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1t3k h ARG 84 CO 0.05 0.53 -0.12 0.00 0.56 0.00 0.00 179.97 180.99 1t3k h ARG 85 N 0.53 0.44 -0.26 0.04 -0.00 -0.04 -0.79 114.38 114.29 1t3k h ARG 85 Ca 0.12 -0.20 0.00 0.00 -0.50 0.00 0.00 59.98 59.40 1t3k h ARG 85 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 1t3k h ARG 85 CO 0.00 0.74 0.16 -0.07 0.00 0.00 0.00 179.97 180.81 1t3k h LEU 86 N 0.13 0.31 -0.92 3.04 3.38 -0.78 0.29 115.31 120.76 1t3k h LEU 86 Ca 0.04 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1t3k h LEU 86 Cb 0.62 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1t3k h LEU 86 CO 0.03 0.23 -0.01 0.58 0.09 0.00 0.00 178.44 179.37 1t3k h VAL 87 N 0.36 1.24 0.00 1.22 2.07 -0.42 0.06 116.25 120.78 1t3k h VAL 87 Ca 0.10 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 1t3k h VAL 87 Cb -0.02 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1t3k h VAL 87 CO -0.02 0.35 -0.14 -0.55 0.02 0.00 0.00 177.57 177.23 1t3k h ASN 88 N 0.73 0.00 0.22 0.57 7.08 0.99 0.19 115.58 125.36 1t3k h ASN 88 Ca 0.14 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.35 1t3k h ASN 88 Cb 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.70 1t3k h ASN 88 CO 0.02 0.14 -0.10 0.22 -2.08 0.00 0.00 177.43 175.63 1t3k h TYR 89 N 0.00 -0.27 -0.43 4.14 5.03 0.21 0.80 116.97 126.46 1t3k h TYR 89 Ca -0.00 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.43 1t3k h TYR 89 Cb 0.33 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1t3k h TYR 89 CO 0.00 -0.17 0.36 1.25 -1.32 0.00 0.00 178.16 178.28 1t3k h LEU 90 N -0.57 0.00 -0.53 2.82 7.12 -1.22 0.33 115.31 123.26 1t3k h LEU 90 Ca -0.03 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.83 1t3k h LEU 90 Cb 0.22 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 1t3k h LEU 90 CO 0.05 0.00 -0.42 -0.78 -0.13 0.00 0.00 178.44 177.15 1t3k h ASP 91 N 0.00 0.77 0.56 1.25 3.58 -0.55 0.85 116.42 122.88 1t3k h ASP 91 Ca 0.20 -0.36 -0.27 0.00 0.42 0.00 0.00 57.03 57.03 1t3k h ASP 91 Cb 0.92 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.76 1t3k h ASP 91 CO -0.00 1.09 -1.20 1.05 -2.88 0.00 0.00 179.24 177.30 1t3k h GLU 92 N 0.58 0.31 0.00 0.28 4.11 0.21 -3.32 114.58 116.75 1t3k h GLU 92 Ca 0.04 -0.48 -0.21 0.00 0.07 0.00 0.00 59.36 58.78 1t3k h GLU 92 Cb 0.97 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1t3k h GLU 92 CO 0.09 1.21 -1.39 0.87 0.07 0.00 0.00 179.01 179.86 1t3k h LYS 93 N 0.10 0.00 -3.03 1.06 1.79 -1.15 -3.47 116.57 111.86 1t3k h LYS 93 Ca -0.13 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.14 1t3k h LYS 93 Cb 1.91 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.52 1t3k h LYS 93 CO 0.20 0.44 -0.23 1.63 -1.08 0.00 0.00 179.45 180.42 1t3k n LYS 94 N -3.02 -1.91 0.00 3.15 5.02 0.29 -4.78 118.16 116.92 1t3k n LYS 94 Ca -0.10 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 1t3k n LYS 94 Cb 0.91 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.98 1t3k n LYS 94 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1t3k n GLU 95 N -2.30 0.00 -3.54 1.97 2.13 -1.26 -5.06 120.64 112.57 1t3k n GLU 95 Ca -0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 1t3k n GLU 95 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1t3k n GLU 95 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1t3k n ASP 96 N 0.00 0.00 0.00 4.31 5.75 -1.26 -5.09 116.55 120.26 1t3k n ASP 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1t3k n ASP 96 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1t3k n ASP 96 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1t3k n THR 97 N 1.38 0.00 0.00 2.12 -1.04 -1.26 -5.03 114.28 110.45 1t3k n THR 97 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1t3k n THR 97 Cb 0.00 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1t3k n THR 97 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1t3k n GLY 98 N 1.67 0.65 3.81 3.41 0.00 -1.26 -4.77 105.19 108.70 1t3k n GLY 98 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.72 0.10 -0.61 -4.36 -1.26 -2.61 121.20 117.18 1t3k s ILE 99 Ca 0.00 1.21 -0.11 0.00 -0.26 0.00 0.00 60.65 61.50 1t3k s ILE 99 Cb 0.00 -3.90 -0.20 0.00 1.25 0.00 0.00 42.46 39.62 1t3k s ILE 99 CO 0.00 0.52 1.26 0.50 0.24 0.00 0.00 174.94 177.46 1t3k h LYS 100 N 4.41 0.65 -2.40 0.37 3.64 0.31 -3.45 116.57 120.09 1t3k h LYS 100 Ca -0.49 -0.64 -0.06 0.00 -1.27 0.00 0.00 60.65 58.19 1t3k h LYS 100 Cb 1.21 0.17 -0.25 0.00 -0.41 0.00 0.00 32.23 32.95 1t3k h LYS 100 CO 0.64 1.24 -0.25 0.54 -2.27 0.00 0.00 179.45 179.35 1t3k s ASN 101 N -7.19 -0.58 -0.10 4.20 2.20 -1.21 -4.97 114.94 107.30 1t3k s ASN 101 Ca -0.09 1.13 -0.26 0.00 -0.94 0.00 0.00 52.86 52.70 1t3k s ASN 101 Cb 0.08 1.30 -0.03 0.00 -2.00 0.00 0.00 41.25 40.60 1t3k s ASN 101 CO 0.90 -0.22 0.82 0.27 -2.94 0.00 0.00 177.10 175.93 1t3k s ILE 102 N 2.10 4.94 0.19 0.54 -0.00 -1.26 -1.10 121.20 126.60 1t3k s ILE 102 Ca -0.06 1.65 -0.03 0.00 -0.00 0.00 0.00 60.65 62.21 1t3k s ILE 102 Cb -0.10 -4.14 -0.03 0.00 -0.00 0.00 0.00 42.46 38.19 1t3k s ILE 102 CO -0.15 0.14 0.17 -0.04 -0.00 0.00 0.00 174.94 175.06 1t3k s MET 103 N 1.42 1.19 0.12 0.37 -1.94 0.56 -1.98 119.30 119.03 1t3k s MET 103 Ca 0.41 -1.50 0.08 0.00 -1.71 0.00 0.00 55.69 52.96 1t3k s MET 103 Cb -0.18 0.30 -0.04 0.00 2.01 0.00 0.00 34.83 36.92 1t3k s MET 103 CO 0.18 -0.40 -0.19 0.96 -0.01 0.00 0.00 175.02 175.56 1t3k s ILE 104 N -4.10 1.63 -0.20 2.53 -5.25 -1.11 -1.95 121.20 112.74 1t3k s ILE 104 Ca 0.32 -1.63 -0.06 0.00 -0.99 0.00 0.00 60.65 58.28 1t3k s ILE 104 Cb 0.06 -1.57 -0.03 0.00 2.95 0.00 0.00 42.46 43.86 1t3k s ILE 104 CO 0.09 -0.19 0.04 -0.22 -1.79 0.00 0.00 174.94 172.87 1t3k s LEU 105 N -2.15 3.51 0.14 0.37 2.96 -0.98 -1.66 118.68 120.87 1t3k s LEU 105 Ca 0.08 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1t3k s LEU 105 Cb -0.08 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1t3k s LEU 105 CO 0.04 0.09 1.35 -0.33 -1.32 0.00 0.00 176.35 176.19 1t3k h GLU 106 N 7.34 0.51 0.00 1.98 5.08 -1.92 -3.42 114.58 124.15 1t3k h GLU 106 Ca -0.36 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 1t3k h GLU 106 Cb 1.18 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1t3k h GLU 106 CO 0.63 1.09 0.00 0.54 -1.00 0.00 0.00 179.01 180.28 1t3k n ARG 107 N -3.84 0.00 -3.52 2.33 5.12 -1.26 -4.76 116.66 110.74 1t3k n ARG 107 Ca -0.06 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.61 1t3k n ARG 107 Cb 0.76 -0.23 0.05 0.00 -1.16 0.00 0.00 32.46 31.88 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1t3k n GLY 108 N 2.59 -1.07 2.81 -0.13 0.00 -1.26 -2.15 105.19 105.98 1t3k n GLY 108 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1t3k n GLY 108 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1t3k n PHE 109 N -3.73 0.00 -0.18 1.61 7.35 -1.26 0.17 117.46 121.41 1t3k n PHE 109 Ca -0.09 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.56 1t3k n PHE 109 Cb 0.60 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.48 1t3k n PHE 109 CO 0.00 0.00 0.00 -2.95 -0.76 0.00 0.00 176.76 173.05 1t3k h ASN 110 N 0.00 0.48 -0.12 -2.13 -1.07 -1.73 -0.75 115.58 110.26 1t3k h ASN 110 Ca 0.00 0.01 -0.10 0.00 0.07 0.00 0.00 56.30 56.29 1t3k h ASN 110 Cb 0.00 -0.08 -0.01 0.00 -2.07 0.00 0.00 38.32 36.15 1t3k h ASN 110 CO 0.00 0.33 -0.23 1.23 0.07 0.00 0.00 177.43 178.83 1t3k h GLY 111 N 0.61 0.59 0.77 9.14 0.00 -1.90 0.11 103.07 112.40 1t3k h GLY 111 Ca 0.23 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1t3k h GLY 111 CO -0.12 0.44 -0.10 -0.25 0.00 0.00 0.00 176.54 176.51 1t3k h TRP 112 N 0.49 -0.27 -0.00 5.60 2.91 -1.72 1.28 115.95 124.24 1t3k h TRP 112 Ca 0.07 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1t3k h TRP 112 Cb 0.67 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.40 1t3k h TRP 112 CO 0.02 0.00 -0.00 1.05 -1.03 0.00 0.00 178.44 178.49 1t3k h GLU 113 N -0.52 0.00 -0.38 2.65 -0.00 -1.18 -3.30 114.58 111.86 1t3k h GLU 113 Ca -0.03 -0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.27 1t3k h GLU 113 Cb 0.39 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.12 1t3k h GLU 113 CO 0.05 0.40 -0.01 0.00 -0.00 0.00 0.00 179.01 179.45 1t3k h ALA 114 N 0.61 0.51 -1.76 1.06 0.00 -0.83 -3.13 119.26 115.71 1t3k h ALA 114 Ca 0.00 -0.26 0.53 0.00 0.00 0.00 0.00 54.91 55.18 1t3k h ALA 114 Cb 0.40 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1t3k h ALA 114 CO 0.00 0.29 1.25 0.45 0.00 0.00 0.00 179.25 181.23 1t3k n SER 115 N -4.46 0.04 0.00 0.00 2.88 0.44 -4.72 113.62 107.79 1t3k n SER 115 Ca -0.01 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1t3k n SER 115 Cb 0.29 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1t3k n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3k n GLY 116 N -1.80 2.67 3.62 0.46 0.00 -1.18 -5.07 105.19 103.89 1t3k n GLY 116 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 1t3k n GLY 116 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t3k n LYS 117 N -0.68 0.55 -2.20 1.61 -0.00 -1.26 -4.91 118.16 111.27 1t3k n LYS 117 Ca 0.00 0.24 -0.41 0.00 -0.00 0.00 0.00 58.31 58.14 1t3k n LYS 117 Cb 0.00 -2.24 -0.03 0.00 -0.00 0.00 0.00 35.03 32.76 1t3k n LYS 117 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1t3k s PRO 118 N -3.33 4.38 0.21 -1.58 0.04 -1.26 -4.82 135.00 128.64 1t3k s PRO 118 Ca 0.74 2.08 -0.09 0.00 0.04 0.00 0.00 61.00 63.76 1t3k s PRO 118 Cb -0.35 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 1t3k s PRO 118 CO 0.50 -0.25 0.52 0.14 0.04 0.00 0.00 177.00 177.94 1t3k s VAL 119 N -0.00 4.96 0.00 -0.36 -7.23 -1.26 -4.82 120.40 111.69 1t3k s VAL 119 Ca 0.56 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 61.17 1t3k s VAL 119 Cb -0.37 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 32.94 1t3k s VAL 119 CO 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 175.10 175.17 1t3k s ARG 121 N 0.00 2.07 1.05 0.00 3.52 -1.26 -4.82 118.95 119.50 1t3k s ARG 121 Ca 0.00 -0.69 -0.19 0.00 -0.13 0.00 0.00 55.73 54.72 1t3k s ARG 121 Cb 0.00 -5.10 0.04 0.00 -1.56 0.00 0.00 34.95 28.33 1t3k s ARG 121 CO 0.00 -4.35 -0.33 0.00 -0.81 0.00 0.00 175.30 169.81 1t3k n ALA 123 N -4.15 0.00 -1.36 0.00 0.00 -1.26 -5.02 120.51 108.71 1t3k n ALA 123 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1t3k n ALA 123 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1t3k n ALA 123 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1t3k n GLU 124 N 0.00 -3.42 -4.44 0.00 1.02 -1.26 -4.71 120.64 107.83 1t3k n GLU 124 Ca 0.00 2.71 -0.41 0.00 -0.02 0.00 0.00 57.16 59.44 1t3k n GLU 124 Cb 0.00 -3.56 -0.07 0.00 -0.02 0.00 0.00 31.44 27.79 1t3k n GLU 124 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1t3k n VAL 125 N -3.14 -0.17 0.00 2.62 0.24 -1.26 -4.81 118.33 111.82 1t3k n VAL 125 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1t3k n VAL 125 Cb 0.51 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 1t3k n VAL 125 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1t3k n PRO 126 N -4.07 0.00 -0.96 7.34 -0.04 -1.26 -5.07 135.00 130.94 1t3k n PRO 126 Ca 0.11 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.25 1t3k n PRO 126 Cb 0.46 -0.20 0.02 0.00 -0.04 0.00 0.00 33.50 33.74 1t3k n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t3k n LYS 128 N 1.81 0.00 -1.61 0.00 5.02 -1.26 -4.84 118.16 117.27 1t3k n LYS 128 Ca 0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 1t3k n LYS 128 Cb 0.45 -0.40 -0.04 0.00 -0.02 0.00 0.00 35.03 35.03 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1t3k n GLY 129 N 2.32 0.83 2.97 0.72 0.00 -0.89 -4.91 105.19 106.22 1t3k n GLY 129 Ca 0.00 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1t3k n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t3k s ASP 130 N -2.76 0.09 -0.21 1.61 1.01 -0.74 -3.78 116.67 111.89 1t3k s ASP 130 Ca 0.00 -0.21 0.14 0.00 0.71 0.00 0.00 52.55 53.19 1t3k s ASP 130 Cb 0.00 0.11 -0.23 0.00 1.01 0.00 0.00 42.92 43.80 1t3k s ASP 130 CO 0.00 -0.18 0.01 0.00 0.21 0.00 0.00 175.17 175.20