#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3k s ALA 2 N 0.00 4.24 -0.38 -5.12 0.00 -1.26 -4.75 121.76 114.49 1t3k s ALA 2 Ca 0.00 -3.74 0.06 0.00 0.00 0.00 0.00 51.96 48.28 1t3k s ALA 2 Cb 0.00 -2.98 0.28 0.00 0.00 0.00 0.00 23.12 20.42 1t3k s ALA 2 CO 0.00 -2.16 1.25 0.00 0.00 0.00 0.00 175.76 174.84 1t3k n MET 3 N 2.64 0.81 -3.00 0.00 -0.00 -1.26 -5.09 117.12 111.23 1t3k n MET 3 Ca 0.20 -1.44 0.04 0.00 -0.00 0.00 0.00 57.70 56.50 1t3k n MET 3 Cb 0.38 -0.17 0.00 0.00 -0.00 0.00 0.00 33.22 33.43 1t3k n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t3k s ALA 4 N 0.15 -4.27 0.00 3.17 0.00 -1.26 -4.71 121.76 114.84 1t3k s ALA 4 Ca 0.17 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1t3k s ALA 4 Cb 0.28 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1t3k s ALA 4 CO -0.07 -2.26 0.00 0.54 0.00 0.00 0.00 175.76 173.96 1t3k n ARG 5 N 4.54 0.00 -0.78 0.00 3.00 -1.26 -5.02 116.66 117.14 1t3k n ARG 5 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.59 1t3k n ARG 5 Cb 0.60 0.00 0.13 0.00 0.00 0.00 0.00 32.46 33.19 1t3k n ARG 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1t3k n SER 6 N -0.31 -2.38 -3.15 0.55 7.64 -1.26 -2.30 113.62 112.41 1t3k n SER 6 Ca 0.00 0.23 -0.22 0.00 1.01 0.00 0.00 58.87 59.89 1t3k n SER 6 Cb 0.00 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.03 1t3k n SER 6 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1t3k n ILE 7 N -3.70 0.00 -4.06 0.44 -6.64 0.50 -4.81 119.36 101.09 1t3k n ILE 7 Ca 0.05 0.00 -0.11 0.00 -1.77 0.00 0.00 62.75 60.92 1t3k n ILE 7 Cb 0.56 -0.26 -0.06 0.00 -1.44 0.00 0.00 39.64 38.44 1t3k n ILE 7 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 1t3k s SER 8 N -2.24 0.13 0.43 7.28 0.01 -0.97 -4.92 113.70 113.42 1t3k s SER 8 Ca 0.43 -1.14 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 1t3k s SER 8 Cb -0.25 0.55 -0.07 0.00 0.21 0.00 0.00 66.02 66.46 1t3k s SER 8 CO 0.53 -1.09 0.82 -0.72 0.41 0.00 0.00 173.24 173.19 1t3k s TYR 9 N -3.90 3.47 0.18 2.43 -0.85 -1.25 -0.60 117.35 116.83 1t3k s TYR 9 Ca 0.28 1.14 0.07 0.00 -0.52 0.00 0.00 57.07 58.04 1t3k s TYR 9 Cb 0.01 -2.52 -0.04 0.00 0.38 0.00 0.00 41.96 39.78 1t3k s TYR 9 CO 0.12 -0.17 -0.14 0.96 -1.52 0.00 0.00 175.55 174.80 1t3k s ILE 10 N -2.44 1.59 0.54 -3.49 -0.00 0.17 -4.03 121.20 113.54 1t3k s ILE 10 Ca 0.53 -2.11 0.03 0.00 -0.00 0.00 0.00 60.65 59.10 1t3k s ILE 10 Cb -0.10 -1.94 0.04 0.00 -0.00 0.00 0.00 42.46 40.46 1t3k s ILE 10 CO 0.32 -0.59 0.75 -0.89 -0.00 0.00 0.00 174.94 174.53 1t3k s THR 11 N -2.89 2.68 0.07 8.37 2.01 -1.26 -4.17 115.64 120.44 1t3k s THR 11 Ca 0.19 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 1t3k s THR 11 Cb -0.01 -2.95 -0.18 0.00 0.01 0.00 0.00 72.50 69.37 1t3k s THR 11 CO 0.05 0.00 1.60 -1.28 -0.69 0.00 0.00 174.62 174.30 1t3k h SER 12 N 0.13 -0.61 -0.38 3.53 0.87 -1.98 -2.64 113.55 112.47 1t3k h SER 12 Ca -0.41 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1t3k h SER 12 Cb 1.29 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 1t3k h SER 12 CO 0.50 -0.41 0.21 0.71 -0.53 0.00 0.00 176.83 177.30 1t3k h THR 13 N -0.76 1.14 0.00 2.23 1.35 -2.03 0.18 112.91 115.02 1t3k h THR 13 Ca -0.07 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1t3k h THR 13 Cb 0.57 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1t3k h THR 13 CO 0.12 0.16 0.15 0.00 -0.25 0.00 0.00 175.52 175.70 1t3k n GLN 14 N -4.41 0.12 0.05 4.72 -0.00 -1.01 0.10 117.38 116.95 1t3k n GLN 14 Ca 0.03 0.60 -0.05 0.00 -0.00 0.00 0.00 57.00 57.59 1t3k n GLN 14 Cb 0.11 -2.03 0.16 0.00 -0.00 0.00 0.00 30.24 28.48 1t3k n GLN 14 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1t3k h LEU 15 N 0.00 0.39 0.43 2.61 6.46 -0.51 -0.77 115.31 123.92 1t3k h LEU 15 Ca 0.00 -0.18 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1t3k h LEU 15 Cb 0.30 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1t3k h LEU 15 CO 0.00 0.79 -0.21 0.25 -0.62 0.00 0.00 178.44 178.65 1t3k h LEU 16 N 0.30 -0.49 -3.78 2.25 6.46 0.54 -2.89 115.31 117.71 1t3k h LEU 16 Ca 0.02 0.00 -0.50 0.00 -0.12 0.00 0.00 57.88 57.28 1t3k h LEU 16 Cb 0.91 0.13 -0.26 0.00 -0.73 0.00 0.00 40.66 40.71 1t3k h LEU 16 CO 0.08 -0.33 0.64 -0.81 -0.62 0.00 0.00 178.44 177.40 1t3k n PRO 17 N -5.33 2.22 0.18 5.25 -0.04 -1.21 -4.69 135.00 131.38 1t3k n PRO 17 Ca -0.11 -2.68 -0.08 0.00 -0.04 0.00 0.00 63.50 60.58 1t3k n PRO 17 Cb 0.25 -2.05 -0.04 0.00 -0.04 0.00 0.00 33.50 31.62 1t3k n PRO 17 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1t3k h LEU 18 N 1.42 -0.56 0.00 1.53 6.46 -0.91 -3.48 115.31 119.78 1t3k h LEU 18 Ca 0.54 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.34 1t3k h LEU 18 Cb 1.95 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 42.05 1t3k h LEU 18 CO 1.11 -0.32 0.00 1.41 -0.62 0.00 0.00 178.44 180.02 1t3k n HIS 19 N -3.64 0.00 -2.68 1.25 8.25 -1.26 -5.04 115.22 112.10 1t3k n HIS 19 Ca -0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.37 1t3k n HIS 19 Cb 0.22 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.34 1t3k n HIS 19 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1t3k n ARG 20 N 0.00 -1.14 -5.09 -0.41 0.63 -1.26 -5.05 116.66 104.33 1t3k n ARG 20 Ca 0.00 1.08 -0.32 0.00 -0.92 0.00 0.00 57.85 57.69 1t3k n ARG 20 Cb 0.00 -4.65 -0.15 0.00 0.45 0.00 0.00 32.46 28.12 1t3k n ARG 20 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1t3k s ARG 21 N -3.26 2.34 0.00 -0.14 0.52 -1.26 -5.02 118.95 112.14 1t3k s ARG 21 Ca 0.09 -0.81 0.27 0.00 -0.52 0.00 0.00 55.73 54.76 1t3k s ARG 21 Cb -0.01 -2.22 1.24 0.00 0.52 0.00 0.00 34.95 34.48 1t3k s ARG 21 CO 0.55 0.58 1.89 -0.35 0.02 0.00 0.00 175.30 177.99 1t3k n PRO 22 N 2.42 0.17 -0.62 3.54 -0.04 -1.26 -3.28 135.00 135.92 1t3k n PRO 22 Ca -0.17 0.04 -0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1t3k n PRO 22 Cb 0.52 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.70 1t3k n PRO 22 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1t3k n ASN 23 N -1.41 3.89 -4.83 3.54 6.94 -1.26 -4.93 115.26 117.20 1t3k n ASN 23 Ca 0.09 -2.70 -0.36 0.00 -0.02 0.00 0.00 54.58 51.59 1t3k n ASN 23 Cb 0.27 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 36.98 1t3k n ASN 23 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1t3k s ILE 24 N -2.11 5.39 -0.17 1.53 2.07 -1.21 0.39 121.20 127.09 1t3k s ILE 24 Ca 0.35 0.17 -0.23 0.00 -1.41 0.00 0.00 60.65 59.53 1t3k s ILE 24 Cb 0.27 -3.37 0.06 0.00 0.13 0.00 0.00 42.46 39.56 1t3k s ILE 24 CO 0.09 0.58 0.61 0.00 -1.91 0.00 0.00 174.94 174.31 1t3k s ALA 25 N -0.72 -1.53 -0.17 1.50 0.00 -0.17 -4.92 121.76 115.74 1t3k s ALA 25 Ca 0.13 1.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.54 1t3k s ALA 25 Cb -0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 1t3k s ALA 25 CO 0.03 -0.31 0.12 0.42 0.00 0.00 0.00 175.76 176.02 1t3k s ILE 26 N -0.18 5.35 -0.02 0.00 1.01 -1.26 -1.66 121.20 124.45 1t3k s ILE 26 Ca -0.04 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 1t3k s ILE 26 Cb -0.03 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1t3k s ILE 26 CO 0.03 0.49 0.34 -0.63 0.00 0.00 0.00 174.94 175.18 1t3k s ILE 27 N -0.04 5.15 -0.07 2.92 -1.09 0.14 0.14 121.20 128.35 1t3k s ILE 27 Ca 0.10 0.64 -0.00 0.00 -2.23 0.00 0.00 60.65 59.16 1t3k s ILE 27 Cb -0.11 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1t3k s ILE 27 CO -0.00 0.56 -0.03 -1.81 -1.23 0.00 0.00 174.94 172.42 1t3k s ASP 28 N -1.15 1.48 -0.19 3.58 1.11 -0.94 -2.49 116.67 118.07 1t3k s ASP 28 Ca 0.23 -0.15 -0.09 0.00 0.18 0.00 0.00 52.55 52.71 1t3k s ASP 28 Cb -0.15 -0.54 -0.05 0.00 1.07 0.00 0.00 42.92 43.25 1t3k s ASP 28 CO 0.12 -0.12 0.12 -0.69 1.18 0.00 0.00 175.17 175.78 1t3k s VAL 29 N 1.49 5.33 -0.02 -1.27 1.01 -1.25 -1.42 120.40 124.28 1t3k s VAL 29 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1t3k s VAL 29 Cb -0.13 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1t3k s VAL 29 CO -0.03 0.46 0.36 0.54 0.00 0.00 0.00 175.10 176.42 1t3k n ARG 30 N 3.42 0.07 0.00 2.72 5.12 -0.88 -4.74 116.66 122.36 1t3k n ARG 30 Ca -0.16 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 55.65 1t3k n ARG 30 Cb 0.52 0.26 0.00 0.00 -1.16 0.00 0.00 32.46 32.09 1t3k n ARG 30 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1t3k n ASP 31 N -0.08 -1.84 -0.41 0.55 -0.08 -1.26 -2.21 116.55 111.23 1t3k n ASP 31 Ca -0.02 0.00 0.33 0.00 -1.51 0.00 0.00 54.79 53.59 1t3k n ASP 31 Cb 0.42 0.00 0.54 0.00 2.34 0.00 0.00 41.12 44.42 1t3k n ASP 31 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1t3k n GLU 32 N -0.37 -0.02 0.09 -0.67 -0.58 -1.26 0.16 120.64 118.00 1t3k n GLU 32 Ca 0.00 0.91 0.07 0.00 -0.42 0.00 0.00 57.16 57.71 1t3k n GLU 32 Cb 0.00 -1.87 0.34 0.00 -0.57 0.00 0.00 31.44 29.34 1t3k n GLU 32 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1t3k n GLU 33 N -3.97 0.08 0.29 3.49 -0.58 -0.94 -1.95 120.64 117.07 1t3k n GLU 33 Ca 0.31 0.54 0.19 0.00 -0.42 0.00 0.00 57.16 57.78 1t3k n GLU 33 Cb 1.29 -1.75 0.84 0.00 -0.57 0.00 0.00 31.44 31.24 1t3k n GLU 33 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 1t3k h ARG 34 N 0.00 0.00 0.46 3.49 0.11 0.16 -2.34 114.38 116.26 1t3k h ARG 34 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1t3k h ARG 34 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1t3k h ARG 34 CO 0.00 0.00 -0.22 -2.95 0.10 0.00 0.00 179.97 176.90 1t3k h ASN 35 N 0.00 -0.53 0.05 0.08 7.08 -1.60 -3.32 115.58 117.34 1t3k h ASN 35 Ca 0.00 -0.03 -0.00 0.00 -3.08 0.00 0.00 56.30 53.19 1t3k h ASN 35 Cb 0.34 0.14 0.00 0.00 -2.08 0.00 0.00 38.32 36.72 1t3k h ASN 35 CO 0.00 -0.31 -0.02 1.88 -2.08 0.00 0.00 177.43 176.90 1t3k h TYR 36 N -0.71 -0.06 -5.57 4.14 0.05 -1.79 -3.46 116.97 109.57 1t3k h TYR 36 Ca -0.06 -0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.51 1t3k h TYR 36 Cb 0.52 0.02 -0.13 0.00 1.01 0.00 0.00 36.73 38.16 1t3k h TYR 36 CO -0.02 0.58 -0.29 -3.47 -1.05 0.00 0.00 178.16 173.91 1t3k n ASP 37 N -4.76 -1.23 -0.54 3.88 -0.08 -0.89 -4.31 116.55 108.63 1t3k n ASP 37 Ca -0.08 -0.08 0.03 0.00 -1.51 0.00 0.00 54.79 53.15 1t3k n ASP 37 Cb 0.32 -1.15 -0.02 0.00 2.34 0.00 0.00 41.12 42.62 1t3k n ASP 37 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1t3k n GLY 38 N -0.67 -3.07 0.00 0.27 0.00 -1.26 -3.97 105.19 96.50 1t3k n GLY 38 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1t3k n GLY 38 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1t3k n HIS 39 N -2.40 0.00 -2.21 1.61 8.25 -1.24 -4.40 115.22 114.83 1t3k n HIS 39 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1t3k n HIS 39 Cb 0.21 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 1t3k n HIS 39 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1t3k n ILE 40 N 0.00 0.00 -3.86 1.59 3.06 -1.26 -4.64 119.36 114.25 1t3k n ILE 40 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 1t3k n ILE 40 Cb 0.00 -0.02 -0.12 0.00 0.54 0.00 0.00 39.64 40.05 1t3k n ILE 40 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1t3k s ALA 41 N -1.69 -0.28 0.00 1.51 0.00 0.39 -3.93 121.76 117.77 1t3k s ALA 41 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1t3k s ALA 41 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1t3k s ALA 41 CO 0.03 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1t3k n GLY 42 N 2.30 0.10 7.00 0.00 0.00 -0.93 -2.42 105.19 111.24 1t3k n GLY 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1t3k n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1t3k n SER 43 N -0.66 -0.26 -4.22 1.61 3.41 -1.26 -4.69 113.62 107.55 1t3k n SER 43 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1t3k n SER 43 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1t3k n SER 43 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1t3k s LEU 44 N 0.00 2.25 -0.24 1.04 2.96 0.37 -4.77 118.68 120.29 1t3k s LEU 44 Ca 0.00 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 1t3k s LEU 44 Cb 0.00 -0.73 0.00 0.00 0.50 0.00 0.00 46.19 45.96 1t3k s LEU 44 CO 0.00 0.03 -0.02 -1.38 -1.32 0.00 0.00 176.35 173.65 1t3k s HIS 45 N -1.09 3.02 0.19 5.38 -3.43 -1.26 -2.22 115.29 115.88 1t3k s HIS 45 Ca 0.03 -1.12 -0.12 0.00 -0.80 0.00 0.00 55.06 53.06 1t3k s HIS 45 Cb -0.09 -2.12 0.00 0.00 -1.43 0.00 0.00 32.58 28.93 1t3k s HIS 45 CO 0.03 -0.60 0.38 1.52 -2.00 0.00 0.00 174.74 174.06 1t3k s TYR 46 N 1.44 0.29 0.00 0.38 1.13 -0.50 -4.94 117.35 115.14 1t3k s TYR 46 Ca 0.04 -0.64 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 1t3k s TYR 46 Cb -0.15 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.79 1t3k s TYR 46 CO -0.03 -0.82 0.00 0.00 -2.51 0.00 0.00 175.55 172.19 1t3k n ALA 47 N -0.28 0.00 -2.70 9.51 0.00 -1.26 -2.08 120.51 123.70 1t3k n ALA 47 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1t3k n ALA 47 Cb 0.63 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.19 1t3k n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1t3k n SER 48 N -1.59 -1.03 0.09 0.00 3.41 -1.26 -4.81 113.62 108.44 1t3k n SER 48 Ca 0.00 -2.22 -0.23 0.00 -0.26 0.00 0.00 58.87 56.16 1t3k n SER 48 Cb 0.00 0.53 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 1t3k n SER 48 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1t3k h GLY 49 N 1.33 0.49 0.83 5.00 0.00 -2.03 -3.36 103.07 105.34 1t3k h GLY 49 Ca -0.39 -1.26 -0.35 0.00 0.00 0.00 0.00 47.33 45.33 1t3k h GLY 49 CO -0.12 1.10 -1.83 1.76 0.00 0.00 0.00 176.54 177.46 1t3k h SER 50 N 0.06 0.54 0.00 0.19 0.02 -1.99 -3.48 113.55 108.90 1t3k h SER 50 Ca -0.30 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.73 1t3k h SER 50 Cb 2.08 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1t3k h SER 50 CO 0.20 1.79 0.00 0.49 -1.14 0.00 0.00 176.83 178.17 1t3k n PHE 51 N -3.55 0.00 -1.67 3.45 3.01 -1.26 -4.51 117.46 112.93 1t3k n PHE 51 Ca -0.27 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.25 1t3k n PHE 51 Cb 1.07 -0.08 0.12 0.00 -0.01 0.00 0.00 39.48 40.57 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 0.23 1.50 -0.02 4.37 9.92 -1.26 -4.35 116.55 126.94 1t3k n ASP 52 Ca 0.00 -3.00 0.02 0.00 -0.53 0.00 0.00 54.79 51.28 1t3k n ASP 52 Cb 0.00 -0.40 -0.02 0.00 -0.64 0.00 0.00 41.12 40.06 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 -0.74 0.27 -0.00 -2.24 -0.08 -1.26 -4.66 116.55 107.85 1t3k n ASP 53 Ca 0.13 -0.64 0.03 0.00 -1.51 0.00 0.00 54.79 52.80 1t3k n ASP 53 Cb 0.76 0.90 -0.04 0.00 2.34 0.00 0.00 41.12 45.08 1t3k n ASP 53 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1t3k n LYS 54 N -0.95 1.87 0.00 -0.67 4.76 -1.26 -4.61 118.16 117.30 1t3k n LYS 54 Ca 0.01 -0.03 0.13 0.00 -2.87 0.00 0.00 58.31 55.54 1t3k n LYS 54 Cb 0.06 -1.01 0.33 0.00 -1.84 0.00 0.00 35.03 32.56 1t3k n LYS 54 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1t3k n ILE 55 N -1.51 0.00 0.06 -0.18 -0.00 -1.26 -2.61 119.36 113.86 1t3k n ILE 55 Ca -0.00 -0.31 -0.22 0.00 -0.00 0.00 0.00 62.75 62.21 1t3k n ILE 55 Cb 0.13 0.86 -0.15 0.00 -0.00 0.00 0.00 39.64 40.49 1t3k n ILE 55 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1t3k h SER 56 N 2.94 0.55 -0.45 4.38 4.64 -1.83 0.87 113.55 124.65 1t3k h SER 56 Ca 0.00 -0.91 -0.10 0.00 -0.47 0.00 0.00 61.79 60.31 1t3k h SER 56 Cb 0.68 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1t3k h SER 56 CO 0.00 1.68 -0.10 -0.74 -0.87 0.00 0.00 176.83 176.80 1t3k h HIS 57 N -0.08 1.01 0.00 4.77 -0.00 -1.83 0.43 115.15 119.45 1t3k h HIS 57 Ca -0.30 -0.20 -0.08 0.00 -0.00 0.00 0.00 60.37 59.80 1t3k h HIS 57 Cb 1.94 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 29.09 1t3k h HIS 57 CO 0.12 0.96 -0.40 1.37 -0.00 0.00 0.00 177.93 179.98 1t3k h LEU 58 N 0.82 0.00 -0.64 0.26 8.10 -1.54 -2.52 115.31 119.80 1t3k h LEU 58 Ca 0.13 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.99 1t3k h LEU 58 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 1t3k h LEU 58 CO 0.04 0.36 -0.42 0.58 -4.11 0.00 0.00 178.44 174.89 1t3k h VAL 59 N 0.00 1.30 0.00 0.15 2.07 0.19 -3.36 116.25 116.60 1t3k h VAL 59 Ca -0.01 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1t3k h VAL 59 Cb 1.28 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1t3k h VAL 59 CO 0.05 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.14 1t3k n GLN 60 N -4.02 0.00 -3.87 1.57 6.02 0.14 -4.35 117.38 112.87 1t3k n GLN 60 Ca -0.02 0.25 -0.30 0.00 -0.01 0.00 0.00 57.00 56.92 1t3k n GLN 60 Cb 0.53 -0.97 -0.07 0.00 1.02 0.00 0.00 30.24 30.75 1t3k n GLN 60 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1t3k n ASN 61 N -1.26 -0.70 -0.27 1.08 0.23 -0.96 -4.67 115.26 108.71 1t3k n ASN 61 Ca 0.00 -0.97 0.32 0.00 -0.53 0.00 0.00 54.58 53.40 1t3k n ASN 61 Cb 0.00 -1.23 0.59 0.00 -2.08 0.00 0.00 39.78 37.05 1t3k n ASN 61 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1t3k h VAL 62 N -0.83 0.09 -0.23 3.53 2.07 -1.89 0.97 116.25 119.96 1t3k h VAL 62 Ca -0.48 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.11 1t3k h VAL 62 Cb 1.08 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1t3k h VAL 62 CO 0.65 0.00 0.56 0.11 0.02 0.00 0.00 177.57 178.90 1t3k h LYS 63 N 0.00 0.00 0.00 1.57 1.79 -2.01 -3.44 116.57 114.48 1t3k h LYS 63 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 1t3k h LYS 63 Cb 2.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.40 1t3k h LYS 63 CO -0.01 0.00 0.00 -3.47 -1.08 0.00 0.00 179.45 174.89 1t3k n ASP 64 N -3.12 0.00 -4.55 0.86 2.03 0.33 -4.88 116.55 107.22 1t3k n ASP 64 Ca 0.04 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.03 1t3k n ASP 64 Cb 0.67 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.03 1t3k n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1t3k s LYS 65 N 0.00 2.04 -0.25 -0.67 2.20 -1.26 -4.57 119.74 117.24 1t3k s LYS 65 Ca 0.00 1.14 -0.06 0.00 -0.36 0.00 0.00 55.97 56.69 1t3k s LYS 65 Cb 0.00 -4.62 0.12 0.00 -1.51 0.00 0.00 37.83 31.82 1t3k s LYS 65 CO 0.00 -3.47 0.50 0.16 -0.36 0.00 0.00 175.35 172.18 1t3k s ASP 66 N 11.59 -0.59 -0.09 1.43 1.47 -1.25 -4.81 116.67 124.42 1t3k s ASP 66 Ca 0.94 1.04 0.04 0.00 1.18 0.00 0.00 52.55 55.74 1t3k s ASP 66 Cb -0.16 1.70 0.00 0.00 -0.34 0.00 0.00 42.92 44.13 1t3k s ASP 66 CO 0.22 -0.24 -0.20 -0.89 0.68 0.00 0.00 175.17 174.73 1t3k s THR 67 N 2.72 1.76 -0.04 2.11 2.01 1.28 0.31 115.64 125.79 1t3k s THR 67 Ca 0.02 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1t3k s THR 67 Cb -0.13 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.85 1t3k s THR 67 CO -0.16 0.49 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.41 1t3k s LEU 68 N 0.42 1.69 -0.13 4.42 1.02 -0.35 -1.00 118.68 124.75 1t3k s LEU 68 Ca -0.17 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 53.78 1t3k s LEU 68 Cb -0.17 -0.64 0.01 0.00 0.02 0.00 0.00 46.19 45.42 1t3k s LEU 68 CO 0.07 0.05 -0.17 0.68 0.02 0.00 0.00 176.35 177.00 1t3k s VAL 69 N 0.41 1.68 0.16 -1.59 -7.23 -0.67 -1.19 120.40 111.98 1t3k s VAL 69 Ca -0.07 -0.75 0.03 0.00 -1.81 0.00 0.00 61.98 59.38 1t3k s VAL 69 Cb -0.12 -1.53 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 1t3k s VAL 69 CO 0.01 0.48 0.29 -0.36 -0.31 0.00 0.00 175.10 175.21 1t3k s PHE 70 N 1.02 3.47 0.00 2.82 0.08 -0.54 0.27 117.98 125.11 1t3k s PHE 70 Ca -0.05 0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.10 1t3k s PHE 70 Cb -0.15 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 1t3k s PHE 70 CO -0.03 0.51 0.00 1.58 -0.10 0.00 0.00 175.22 177.18 1t3k n HIS 71 N -0.63 0.00 -2.26 0.36 -0.00 -1.04 -2.93 115.22 108.72 1t3k n HIS 71 Ca -0.07 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.06 1t3k n HIS 71 Cb 0.54 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.44 1t3k n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1t3k n SER 72 N 2.83 -2.53 0.00 0.26 2.88 -1.23 -0.57 113.62 115.27 1t3k n SER 72 Ca 0.00 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1t3k n SER 72 Cb 0.00 -1.85 0.00 0.00 -0.75 0.00 0.00 64.21 61.61 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 -1.94 0.00 0.00 -1.46 0.00 -1.15 -2.34 120.51 113.62 1t3k n ALA 73 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1t3k n ALA 73 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1t3k n ALA 73 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1t3k n LEU 74 N 0.00 0.00 -0.16 0.00 7.94 -1.24 -4.41 117.00 119.13 1t3k n LEU 74 Ca 0.00 0.00 0.28 0.00 -1.11 0.00 0.00 56.01 55.18 1t3k n LEU 74 Cb 0.00 0.00 0.72 0.00 0.53 0.00 0.00 43.42 44.67 1t3k n LEU 74 CO 0.00 0.00 1.25 -1.28 -1.11 0.00 0.00 177.39 176.25 1t3k h SER 75 N 0.00 0.00 0.00 1.96 0.87 -0.97 -3.37 113.55 112.04 1t3k h SER 75 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1t3k h SER 75 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1t3k h SER 75 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 1t3k n GLN 76 N -4.22 0.00 0.00 2.24 -0.00 -1.26 -4.92 117.38 109.22 1t3k n GLN 76 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 1t3k n GLN 76 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 31.18 1t3k n GLN 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1t3k n VAL 77 N 0.00 0.00 0.15 -0.39 0.31 -1.26 -4.76 118.33 112.39 1t3k n VAL 77 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 1t3k n VAL 77 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 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 0.96 0.00 0.00 5.55 -0.00 -1.94 -3.40 114.38 115.55 1t3k h ARG 78 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1t3k h ARG 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1t3k h ARG 78 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.97 180.86 1t3k n GLY 79 N 0.92 0.00 0.30 0.04 0.00 -1.26 0.54 105.19 105.72 1t3k n GLY 79 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1t3k n GLY 79 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t3k h PRO 80 N 0.00 1.00 -0.25 1.61 0.11 -1.85 -1.50 132.00 131.14 1t3k h PRO 80 Ca 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1t3k h PRO 80 Cb 0.00 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 1t3k h PRO 80 CO 0.00 0.72 0.11 1.15 -0.21 0.00 0.00 178.00 179.76 1t3k h THR 81 N 1.01 1.10 -0.77 -1.15 2.02 1.34 -0.47 112.91 115.98 1t3k h THR 81 Ca 0.26 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1t3k h THR 81 Cb -0.03 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1t3k h THR 81 CO -0.05 0.11 0.41 0.00 0.37 0.00 0.00 175.52 176.37 1t3k h ALA 83 N 1.21 1.24 -0.38 0.00 0.00 -0.83 -0.92 119.26 119.57 1t3k h ALA 83 Ca 0.27 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1t3k h ALA 83 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1t3k h ALA 83 CO -0.04 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.77 1t3k h ARG 84 N 0.37 0.57 -0.62 0.00 2.47 0.44 -1.10 114.38 116.50 1t3k h ARG 84 Ca 0.06 -0.11 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 1t3k h ARG 84 Cb 0.56 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 1t3k h ARG 84 CO 0.04 0.55 0.07 0.00 0.56 0.00 0.00 179.97 181.19 1t3k h ARG 85 N 0.55 1.03 -0.89 0.04 3.08 0.62 0.13 114.38 118.95 1t3k h ARG 85 Ca 0.13 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.93 1t3k h ARG 85 Cb 0.26 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 1t3k h ARG 85 CO 0.00 0.97 0.58 -0.07 -1.07 0.00 0.00 179.97 180.38 1t3k h LEU 86 N 0.96 0.96 -0.89 3.04 4.07 -0.36 0.17 115.31 123.26 1t3k h LEU 86 Ca 0.19 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 1t3k h LEU 86 Cb 0.46 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 1t3k h LEU 86 CO 0.02 0.66 -0.06 0.58 -1.08 0.00 0.00 178.44 178.56 1t3k h VAL 87 N 1.12 1.25 0.24 1.22 2.07 -0.55 -1.87 116.25 119.73 1t3k h VAL 87 Ca 0.35 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1t3k h VAL 87 Cb 0.00 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1t3k h VAL 87 CO -0.12 0.37 -0.12 -1.13 0.02 0.00 0.00 177.57 176.60 1t3k h ASN 88 N 0.69 -0.27 0.13 0.57 -1.24 0.12 0.22 115.58 115.80 1t3k h ASN 88 Ca 0.13 -0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 1t3k h ASN 88 Cb 0.51 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.63 1t3k h ASN 88 CO 0.03 -0.15 -0.06 0.22 -1.29 0.00 0.00 177.43 176.18 1t3k h TYR 89 N -0.38 -0.17 -0.43 0.67 5.03 -1.18 -1.54 116.97 118.98 1t3k h TYR 89 Ca -0.03 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.40 1t3k h TYR 89 Cb 0.29 0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.61 1t3k h TYR 89 CO -0.05 0.14 0.36 1.37 -1.32 0.00 0.00 178.16 178.66 1t3k h LEU 90 N -0.48 0.00 -0.56 2.82 8.10 -1.36 0.59 115.31 124.43 1t3k h LEU 90 Ca -0.02 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.83 1t3k h LEU 90 Cb 0.38 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1t3k h LEU 90 CO 0.03 0.00 -0.38 -0.78 -4.11 0.00 0.00 178.44 173.20 1t3k h ASP 91 N 0.00 0.78 0.15 0.17 1.82 -0.34 -0.76 116.42 118.24 1t3k h ASP 91 Ca 0.20 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1t3k h ASP 91 Cb 0.92 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1t3k h ASP 91 CO -0.00 1.07 -0.07 -0.08 -1.61 0.00 0.00 179.24 178.55 1t3k h GLU 92 N 0.61 -0.19 0.17 0.28 4.57 0.11 -3.41 114.58 116.70 1t3k h GLU 92 Ca 0.05 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1t3k h GLU 92 Cb 0.92 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1t3k h GLU 92 CO 0.08 -0.13 -0.08 -0.22 -1.18 0.00 0.00 179.01 177.49 1t3k h LYS 93 N -0.78 -0.21 -1.22 1.92 1.63 -1.09 -3.50 116.57 113.31 1t3k h LYS 93 Ca -0.02 0.01 0.29 0.00 -0.85 0.00 0.00 60.65 60.09 1t3k h LYS 93 Cb 0.15 0.05 -0.20 0.00 -0.60 0.00 0.00 32.23 31.63 1t3k h LYS 93 CO 0.03 -0.14 0.91 0.21 -3.45 0.00 0.00 179.45 177.01 1t3k s LYS 94 N -2.62 0.14 0.00 1.90 2.36 -0.31 -5.06 119.74 116.15 1t3k s LYS 94 Ca -0.03 -0.05 0.00 0.00 -2.55 0.00 0.00 55.97 53.34 1t3k s LYS 94 Cb 0.00 0.07 0.00 0.00 -1.05 0.00 0.00 37.83 36.85 1t3k s LYS 94 CO 0.10 -0.06 0.00 -1.91 1.55 0.00 0.00 175.35 175.03 1t3k n GLU 95 N -0.00 -0.98 -2.18 4.03 2.13 -1.07 -4.29 120.64 118.28 1t3k n GLU 95 Ca 0.03 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.83 1t3k n GLU 95 Cb 0.57 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.27 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 -2.22 -3.46 0.04 4.31 -0.08 -1.26 -4.87 116.55 109.01 1t3k n ASP 96 Ca 0.00 0.82 0.10 0.00 -1.51 0.00 0.00 54.79 54.20 1t3k n ASP 96 Cb 0.00 -3.53 0.54 0.00 2.34 0.00 0.00 41.12 40.47 1t3k n ASP 96 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1t3k h THR 97 N 2.07 0.96 0.00 5.18 1.35 -1.92 -3.46 112.91 117.08 1t3k h THR 97 Ca -0.15 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1t3k h THR 97 Cb 0.35 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1t3k h THR 97 CO 0.03 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1t3k n GLY 98 N -1.53 2.93 3.77 5.82 0.00 -1.26 -3.87 105.19 111.05 1t3k n GLY 98 Ca 0.05 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.19 2.75 0.18 -0.61 -0.00 -1.26 -4.90 121.20 115.16 1t3k s ILE 99 Ca 0.00 0.74 -0.13 0.00 -0.00 0.00 0.00 60.65 61.26 1t3k s ILE 99 Cb 0.00 -3.46 0.08 0.00 -0.00 0.00 0.00 42.46 39.07 1t3k s ILE 99 CO 0.00 0.17 1.79 0.50 -0.00 0.00 0.00 174.94 177.40 1t3k h LYS 100 N 3.28 0.81 -2.43 0.37 3.64 0.45 -3.43 116.57 119.26 1t3k h LYS 100 Ca -0.49 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 58.73 1t3k h LYS 100 Cb 1.23 -0.16 -0.26 0.00 -0.41 0.00 0.00 32.23 32.63 1t3k h LYS 100 CO 0.65 0.61 -0.28 -0.80 -2.27 0.00 0.00 179.45 177.36 1t3k s ASN 101 N -5.87 -0.51 -0.13 4.20 -0.87 -1.18 -5.01 114.94 105.55 1t3k s ASN 101 Ca -0.13 1.09 -0.03 0.00 -1.57 0.00 0.00 52.86 52.22 1t3k s ASN 101 Cb 0.13 1.31 -0.03 0.00 -0.02 0.00 0.00 41.25 42.63 1t3k s ASN 101 CO 0.77 -0.22 -0.02 -0.51 -2.57 0.00 0.00 177.10 174.55 1t3k s ILE 102 N 2.20 4.06 0.21 0.60 1.10 -1.26 -1.21 121.20 126.90 1t3k s ILE 102 Ca -0.05 -0.31 -0.03 0.00 -0.51 0.00 0.00 60.65 59.74 1t3k s ILE 102 Cb -0.10 -2.75 -0.03 0.00 0.15 0.00 0.00 42.46 39.72 1t3k s ILE 102 CO -0.14 0.53 0.18 -0.04 -2.11 0.00 0.00 174.94 173.36 1t3k s MET 103 N -0.04 1.25 -0.13 3.50 -1.94 -0.33 0.19 119.30 121.80 1t3k s MET 103 Ca 0.02 -1.57 0.00 0.00 -1.71 0.00 0.00 55.69 52.44 1t3k s MET 103 Cb -0.13 0.30 0.02 0.00 2.01 0.00 0.00 34.83 37.03 1t3k s MET 103 CO 0.02 -0.43 -0.12 -1.50 -0.01 0.00 0.00 175.02 172.98 1t3k s ILE 104 N -4.14 1.40 -0.13 2.53 1.10 0.23 -1.46 121.20 120.73 1t3k s ILE 104 Ca 0.36 -0.53 -0.06 0.00 -0.51 0.00 0.00 60.65 59.91 1t3k s ILE 104 Cb 0.06 -1.33 -0.04 0.00 0.15 0.00 0.00 42.46 41.30 1t3k s ILE 104 CO 0.11 0.43 0.07 -1.48 -2.11 0.00 0.00 174.94 171.96 1t3k s LEU 105 N 1.46 3.92 -0.22 8.50 2.34 -1.15 -0.65 118.68 132.88 1t3k s LEU 105 Ca 0.03 0.22 0.15 0.00 0.06 0.00 0.00 54.13 54.59 1t3k s LEU 105 Cb -0.13 -1.95 0.69 0.00 -0.56 0.00 0.00 46.19 44.24 1t3k s LEU 105 CO -0.09 0.31 1.60 -0.62 -1.06 0.00 0.00 176.35 176.50 1t3k n GLU 106 N 2.61 3.93 -1.42 1.48 -0.58 -1.26 -2.92 120.64 122.49 1t3k n GLU 106 Ca -0.18 -3.02 -0.05 0.00 -0.42 0.00 0.00 57.16 53.49 1t3k n GLU 106 Cb 0.53 -2.07 -0.01 0.00 -0.57 0.00 0.00 31.44 29.32 1t3k n GLU 106 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1t3k n ARG 107 N 0.05 0.36 0.00 3.49 3.00 -1.26 -4.55 116.66 117.76 1t3k n ARG 107 Ca 0.26 -0.92 0.00 0.00 -0.00 0.00 0.00 57.85 57.19 1t3k n ARG 107 Cb 1.07 0.46 0.00 0.00 0.00 0.00 0.00 32.46 33.99 1t3k n ARG 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1t3k n GLY 108 N -0.41 -0.20 3.11 5.14 0.00 -1.25 -4.62 105.19 106.95 1t3k n GLY 108 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.14 0.00 0.20 1.61 3.01 -1.26 -4.73 117.46 115.15 1t3k n PHE 109 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 1t3k n PHE 109 Cb 0.21 -0.14 0.42 0.00 -0.01 0.00 0.00 39.48 39.96 1t3k n PHE 109 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1t3k h ASN 110 N 0.00 0.00 -0.74 4.37 -1.24 -1.74 -2.21 115.58 114.02 1t3k h ASN 110 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.07 1t3k h ASN 110 Cb 0.00 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 38.99 1t3k h ASN 110 CO 0.00 0.30 0.44 1.23 -1.29 0.00 0.00 177.43 178.10 1t3k h GLY 111 N 0.92 1.10 0.63 1.57 0.00 -1.86 1.57 103.07 107.00 1t3k h GLY 111 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1t3k h GLY 111 CO 0.04 0.21 -0.09 -0.25 0.00 0.00 0.00 176.54 176.45 1t3k h TRP 112 N 0.81 -0.23 0.12 5.60 2.91 -1.73 2.56 115.95 125.99 1t3k h TRP 112 Ca 0.33 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.33 1t3k h TRP 112 Cb 0.17 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1t3k h TRP 112 CO -0.06 0.13 -0.06 0.93 -1.03 0.00 0.00 178.44 178.35 1t3k h GLU 113 N -0.62 -0.15 -0.04 2.65 4.39 -1.08 -0.80 114.58 118.92 1t3k h GLU 113 Ca -0.02 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1t3k h GLU 113 Cb 0.46 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1t3k h GLU 113 CO 0.04 0.21 -0.03 0.00 -1.16 0.00 0.00 179.01 178.08 1t3k h ALA 114 N 0.27 0.01 0.00 3.43 0.00 0.21 -3.30 119.26 119.89 1t3k h ALA 114 Ca -0.02 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1t3k h ALA 114 Cb 0.43 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1t3k h ALA 114 CO 0.03 -0.51 -0.00 0.45 0.00 0.00 0.00 179.25 179.21 1t3k n SER 115 N -5.14 -1.42 0.00 0.00 2.88 -0.23 -4.28 113.62 105.43 1t3k n SER 115 Ca -0.06 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.45 1t3k n SER 115 Cb 0.07 1.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 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 -0.27 0.00 0.43 0.46 0.00 0.84 -4.79 105.19 101.85 1t3k n GLY 116 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1t3k n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1t3k n LYS 117 N -2.83 0.11 -1.25 1.61 5.02 -0.43 -4.89 118.16 115.50 1t3k n LYS 117 Ca 0.00 -0.30 -0.41 0.00 -2.02 0.00 0.00 58.31 55.58 1t3k n LYS 117 Cb 0.49 0.33 -0.01 0.00 -0.02 0.00 0.00 35.03 35.82 1t3k n LYS 117 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1t3k n PRO 118 N -0.07 0.00 -4.01 1.97 -0.02 -1.26 -4.69 135.00 126.92 1t3k n PRO 118 Ca -0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1t3k n PRO 118 Cb 0.07 -0.94 -0.11 0.00 -0.02 0.00 0.00 33.50 32.49 1t3k n PRO 118 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1t3k s VAL 119 N -1.43 0.26 0.00 -1.45 1.01 -1.26 -4.77 120.40 112.76 1t3k s VAL 119 Ca 0.57 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1t3k s VAL 119 Cb -0.66 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1t3k s VAL 119 CO 0.58 -0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.27 1t3k n ARG 121 N 0.00 0.00 -1.16 0.00 1.85 -1.26 -5.01 116.66 111.08 1t3k n ARG 121 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1t3k n ARG 121 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1t3k n ARG 121 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3k n ALA 123 N -3.00 -0.77 -3.16 0.00 0.00 -1.26 -5.09 120.51 107.23 1t3k n ALA 123 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 53.44 52.50 1t3k n ALA 123 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1t3k n ALA 123 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1t3k n GLU 124 N -0.23 0.06 -0.32 0.00 0.28 -1.26 -5.03 120.64 114.13 1t3k n GLU 124 Ca -0.08 -0.17 0.18 0.00 -0.16 0.00 0.00 57.16 56.93 1t3k n GLU 124 Cb 0.75 0.26 0.37 0.00 1.43 0.00 0.00 31.44 34.25 1t3k n GLU 124 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1t3k h VAL 125 N 1.17 0.18 0.00 3.84 -1.51 -2.06 -0.65 116.25 117.22 1t3k h VAL 125 Ca -0.04 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1t3k h VAL 125 Cb 0.20 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.39 1t3k h VAL 125 CO 0.06 0.03 0.00 -0.81 -1.23 0.00 0.00 177.57 175.61 1t3k n PRO 126 N -5.27 0.00 0.00 5.19 -0.04 -1.26 -4.59 135.00 129.03 1t3k n PRO 126 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1t3k n PRO 126 Cb 0.86 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.00 0.00 -1.82 0.00 4.01 -1.26 -4.97 118.16 114.12 1t3k n LYS 128 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 1t3k n LYS 128 Cb 0.00 -0.27 -0.02 0.00 -0.51 0.00 0.00 35.03 34.23 1t3k n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1t3k n GLY 129 N 2.51 0.46 2.98 0.72 0.00 -1.11 -4.93 105.19 105.83 1t3k n GLY 129 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.69 0.06 0.01 1.61 2.15 -1.01 -4.09 116.67 112.71 1t3k s ASP 130 Ca 0.00 -0.16 0.08 0.00 0.43 0.00 0.00 52.55 52.90 1t3k s ASP 130 Cb 0.00 0.13 -0.23 0.00 -0.30 0.00 0.00 42.92 42.52 1t3k s ASP 130 CO 0.00 -0.19 0.88 0.00 -0.17 0.00 0.00 175.17 175.70