#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4t n GLY 13 N 0.00 0.54 2.36 -0.02 0.00 -1.26 -4.95 105.19 101.86 1q4t n GLY 13 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1q4t n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q4t n ASN 14 N 1.07 -3.96 -4.79 1.61 5.15 -1.26 0.63 115.26 113.71 1q4t n ASN 14 Ca 0.11 -0.11 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 1q4t n ASN 14 Cb 0.47 -2.96 0.04 0.00 -0.53 0.00 0.00 39.78 36.80 1q4t n ASN 14 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1q4t s LEU 15 N -3.71 3.35 0.12 1.20 1.02 -1.26 -4.62 118.68 114.78 1q4t s LEU 15 Ca 0.11 1.86 -0.33 0.00 0.02 0.00 0.00 54.13 55.79 1q4t s LEU 15 Cb -0.05 -4.53 -0.13 0.00 0.02 0.00 0.00 46.19 41.50 1q4t s LEU 15 CO 0.13 -1.49 1.68 -2.65 0.02 0.00 0.00 176.35 174.04 1q4t n PRO 16 N -2.50 2.31 -2.76 1.29 -0.02 -1.26 -4.88 135.00 127.17 1q4t n PRO 16 Ca 0.09 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 1q4t n PRO 16 Cb 0.53 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1q4t n PRO 16 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1q4t s ASP 17 N 1.72 6.40 0.00 2.55 2.15 -1.26 -4.68 116.67 123.55 1q4t s ASP 17 Ca 0.81 -1.37 0.05 0.00 0.43 0.00 0.00 52.55 52.47 1q4t s ASP 17 Cb -0.64 -2.47 -0.03 0.00 -0.30 0.00 0.00 42.92 39.48 1q4t s ASP 17 CO 0.40 -1.39 0.32 1.33 -0.17 0.00 0.00 175.17 175.65 1q4t n VAL 18 N 6.10 0.00 -4.02 1.11 0.24 -1.26 -5.03 118.33 115.47 1q4t n VAL 18 Ca 0.16 -0.42 -0.08 0.00 -2.04 0.00 0.00 64.34 61.96 1q4t n VAL 18 Cb 0.49 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.79 1q4t n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q4t s ALA 19 N -1.20 0.29 0.14 2.33 0.00 -1.26 -4.93 121.76 117.13 1q4t s ALA 19 Ca 0.03 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1q4t s ALA 19 Cb 0.04 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 1q4t s ALA 19 CO 0.16 -0.41 1.45 0.77 0.00 0.00 0.00 175.76 177.74 1q4t h SER 20 N 3.06 0.96 -4.43 0.00 0.02 -2.01 -3.44 113.55 107.70 1q4t h SER 20 Ca -0.34 -0.48 -0.41 0.00 -0.84 0.00 0.00 61.79 59.73 1q4t h SER 20 Cb 1.16 -0.27 -0.23 0.00 0.14 0.00 0.00 62.40 63.20 1q4t h SER 20 CO 0.63 1.27 -0.78 -1.00 -1.14 0.00 0.00 176.83 175.81 1q4t s HIS 21 N -4.26 1.14 -0.02 3.45 3.76 -1.26 -5.14 115.29 112.96 1q4t s HIS 21 Ca -0.11 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.46 1q4t s HIS 21 Cb 0.11 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 33.12 1q4t s HIS 21 CO 0.88 0.03 -0.22 0.71 -0.85 0.00 0.00 174.74 175.30 1q4t s TYR 22 N -1.09 1.96 0.36 1.40 1.51 -1.26 -5.04 117.35 115.18 1q4t s TYR 22 Ca -0.01 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1q4t s TYR 22 Cb -0.09 -1.26 0.69 0.00 -0.11 0.00 0.00 41.96 41.19 1q4t s TYR 22 CO 0.02 -0.05 1.98 -1.35 -1.11 0.00 0.00 175.55 175.04 1q4t h PRO 23 N 5.66 0.78 -5.64 -1.71 0.11 -2.03 -3.42 132.00 125.76 1q4t h PRO 23 Ca -0.39 -0.05 -0.62 0.00 0.11 0.00 0.00 66.00 65.05 1q4t h PRO 23 Cb 1.14 -0.18 -0.31 0.00 0.11 0.00 0.00 31.00 31.76 1q4t h PRO 23 CO 0.48 0.52 -0.86 0.08 -0.21 0.00 0.00 178.00 178.00 1q4t s VAL 24 N -5.70 1.71 0.40 3.15 1.01 -1.26 -5.10 120.40 114.61 1q4t s VAL 24 Ca -0.10 -0.88 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1q4t s VAL 24 Cb 0.19 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 1q4t s VAL 24 CO 0.77 0.48 1.16 0.00 0.00 0.00 0.00 175.10 177.51 1q4t s ALA 25 N -0.07 3.16 0.20 5.51 0.00 -1.26 -4.87 121.76 124.42 1q4t s ALA 25 Ca -0.03 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 1q4t s ALA 25 Cb -0.12 -3.37 0.19 0.00 0.00 0.00 0.00 23.12 19.82 1q4t s ALA 25 CO 0.03 -0.49 1.61 -0.92 0.00 0.00 0.00 175.76 175.99 1q4t h TYR 26 N 2.66 -0.57 -0.08 0.00 3.20 -1.97 0.14 116.97 120.35 1q4t h TYR 26 Ca -0.49 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.47 1q4t h TYR 26 Cb 1.23 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.84 1q4t h TYR 26 CO 0.55 -0.32 0.09 0.93 -1.64 0.00 0.00 178.16 177.78 1q4t h GLU 27 N -0.08 0.00 0.00 1.82 3.07 -1.91 -1.90 114.58 115.59 1q4t h GLU 27 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1q4t h GLU 27 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1q4t h GLU 27 CO -0.66 0.00 -1.03 1.04 -1.40 0.00 0.00 179.01 176.97 1q4t n GLN 28 N -3.86 0.44 -1.09 2.33 3.00 0.43 -4.00 117.38 114.63 1q4t n GLN 28 Ca -0.01 0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.74 1q4t n GLN 28 Cb 0.19 -1.69 0.20 0.00 0.00 0.00 0.00 30.24 28.94 1q4t n GLN 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1q4t s THR 29 N -3.28 1.89 0.20 5.09 -4.23 -0.73 -4.76 115.64 109.82 1q4t s THR 29 Ca 0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.44 1q4t s THR 29 Cb 0.12 -2.46 0.14 0.00 1.34 0.00 0.00 72.50 71.65 1q4t s THR 29 CO 0.79 0.00 1.76 0.25 -0.54 0.00 0.00 174.62 176.88 1q4t h LEU 30 N -2.17 1.05 -0.43 4.79 5.85 -1.93 0.41 115.31 122.88 1q4t h LEU 30 Ca -0.53 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.06 1q4t h LEU 30 Cb 1.33 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1q4t h LEU 30 CO 0.51 0.95 0.16 0.44 -0.34 0.00 0.00 178.44 180.16 1q4t h ASP 31 N 1.10 0.17 0.31 1.25 3.32 -1.91 -1.73 116.42 118.92 1q4t h ASP 31 Ca 0.25 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 1q4t h ASP 31 Cb 0.24 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1q4t h ASP 31 CO -0.02 0.13 -0.56 1.23 -1.72 0.00 0.00 179.24 178.30 1q4t h GLY 32 N 0.32 0.29 1.02 2.75 0.00 -1.35 0.48 103.07 106.58 1q4t h GLY 32 Ca 0.20 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1q4t h GLY 32 CO -0.20 0.31 0.09 -0.84 0.00 0.00 0.00 176.54 175.89 1q4t h THR 33 N 0.21 1.26 0.00 4.70 2.02 -0.24 -3.10 112.91 117.76 1q4t h THR 33 Ca 0.00 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1q4t h THR 33 Cb 1.05 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1q4t h THR 33 CO 0.09 0.36 -0.74 -0.37 0.37 0.00 0.00 175.52 175.23 1q4t h VAL 34 N 0.82 0.00 0.00 3.16 -1.51 -1.30 -3.49 116.25 113.94 1q4t h VAL 34 Ca 0.17 -0.90 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1q4t h VAL 34 Cb 0.42 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1q4t h VAL 34 CO 0.01 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.96 1q4t n GLY 35 N 1.20 1.62 3.76 5.19 0.00 -0.09 -4.72 105.19 112.15 1q4t n GLY 35 Ca 0.01 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1q4t n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q4t s PHE 36 N -2.00 3.21 -0.03 1.61 0.08 -0.04 -4.48 117.98 116.33 1q4t s PHE 36 Ca 0.00 1.41 0.01 0.00 0.12 0.00 0.00 56.93 58.47 1q4t s PHE 36 Cb 0.00 -3.58 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 1q4t s PHE 36 CO 0.00 -1.61 -0.02 0.08 -0.10 0.00 0.00 175.22 173.57 1q4t s VAL 37 N -0.78 0.30 0.06 -0.44 1.01 -0.45 -4.60 120.40 115.50 1q4t s VAL 37 Ca 0.50 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.20 1q4t s VAL 37 Cb -0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1q4t s VAL 37 CO 0.46 0.17 0.95 -0.63 0.00 0.00 0.00 175.10 176.05 1q4t s ILE 38 N 0.96 4.66 0.00 2.22 1.01 0.20 -1.16 121.20 129.10 1q4t s ILE 38 Ca -0.11 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.57 1q4t s ILE 38 Cb -0.14 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1q4t s ILE 38 CO -0.01 0.26 0.00 0.47 0.00 0.00 0.00 174.94 175.66 1q4t n ASP 39 N 3.21 0.00 -4.69 3.58 8.00 0.10 -4.70 116.55 122.05 1q4t n ASP 39 Ca 0.03 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.28 1q4t n ASP 39 Cb 0.50 -0.42 -0.07 0.00 -0.02 0.00 0.00 41.12 41.11 1q4t n ASP 39 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q4t s GLU 40 N -0.86 2.49 -0.23 -1.24 2.02 -1.18 -4.92 118.70 114.78 1q4t s GLU 40 Ca 0.00 -1.16 -0.08 0.00 0.02 0.00 0.00 54.97 53.75 1q4t s GLU 40 Cb 0.00 -2.36 0.10 0.00 0.10 0.00 0.00 34.13 31.98 1q4t s GLU 40 CO 0.00 0.42 0.50 1.41 0.02 0.00 0.00 175.26 177.62 1q4t s MET 41 N -3.29 0.42 0.30 1.61 1.75 -1.26 -0.89 119.30 117.93 1q4t s MET 41 Ca 0.30 1.19 0.03 0.00 -1.25 0.00 0.00 55.69 55.96 1q4t s MET 41 Cb -0.08 0.53 -0.04 0.00 2.84 0.00 0.00 34.83 38.08 1q4t s MET 41 CO 0.20 -0.23 0.17 0.95 -0.65 0.00 0.00 175.02 175.46 1q4t s THR 42 N 2.71 0.26 0.38 10.11 -4.23 -0.24 -5.01 115.64 119.62 1q4t s THR 42 Ca -0.03 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.76 1q4t s THR 42 Cb -0.12 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.52 1q4t s THR 42 CO -0.15 0.00 2.06 -0.65 -0.54 0.00 0.00 174.62 175.34 1q4t h PRO 43 N 2.24 0.00 -0.01 3.99 0.11 -2.00 -3.05 132.00 133.28 1q4t h PRO 43 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1q4t h PRO 43 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1q4t h PRO 43 CO 0.50 0.11 -0.03 0.39 -0.21 0.00 0.00 178.00 178.77 1q4t n GLU 44 N -3.54 0.52 -3.61 1.05 1.02 -1.26 -4.85 120.64 109.97 1q4t n GLU 44 Ca -0.01 -0.95 -0.12 0.00 -0.02 0.00 0.00 57.16 56.06 1q4t n GLU 44 Cb 0.25 -1.15 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 1q4t n GLU 44 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1q4t s ARG 45 N -0.80 0.67 0.10 3.49 3.52 -1.15 -1.32 118.95 123.46 1q4t s ARG 45 Ca 0.10 0.60 -0.12 0.00 -0.13 0.00 0.00 55.73 56.18 1q4t s ARG 45 Cb 0.07 0.33 0.01 0.00 -1.56 0.00 0.00 34.95 33.80 1q4t s ARG 45 CO 0.12 -0.12 0.27 0.00 -0.81 0.00 0.00 175.30 174.76 1q4t s ALA 46 N -0.10 -0.51 0.07 6.12 0.00 -0.20 -1.07 121.76 126.07 1q4t s ALA 46 Ca -0.00 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.61 1q4t s ALA 46 Cb -0.04 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1q4t s ALA 46 CO -0.01 -0.54 -0.06 0.95 0.00 0.00 0.00 175.76 176.09 1q4t s THR 47 N -3.69 0.54 0.21 0.00 -4.23 -0.07 -0.31 115.64 108.09 1q4t s THR 47 Ca 0.03 -1.52 -0.20 0.00 -1.18 0.00 0.00 61.69 58.82 1q4t s THR 47 Cb 0.03 -1.15 0.04 0.00 1.34 0.00 0.00 72.50 72.76 1q4t s THR 47 CO -0.10 -0.67 0.59 0.00 -0.54 0.00 0.00 174.62 173.89 1q4t s ALA 48 N -2.65 -1.18 0.26 3.99 0.00 -0.69 0.03 121.76 121.53 1q4t s ALA 48 Ca 0.01 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 1q4t s ALA 48 Cb -0.01 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1q4t s ALA 48 CO -0.03 -0.85 0.60 -1.54 0.00 0.00 0.00 175.76 173.93 1q4t s SER 49 N -2.85 -0.18 -0.09 0.00 1.04 -0.31 0.15 113.70 111.46 1q4t s SER 49 Ca 0.08 -0.77 -0.19 0.00 0.48 0.00 0.00 55.95 55.55 1q4t s SER 49 Cb -0.02 0.66 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1q4t s SER 49 CO -0.03 -1.24 0.46 0.54 0.98 0.00 0.00 173.24 173.95 1q4t s VAL 50 N -3.97 0.02 0.11 5.02 0.11 -0.77 -1.34 120.40 119.59 1q4t s VAL 50 Ca 0.17 -0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.78 1q4t s VAL 50 Cb -0.03 -0.72 -0.07 0.00 -1.53 0.00 0.00 36.38 34.03 1q4t s VAL 50 CO 0.08 -0.10 0.80 -1.61 -3.33 0.00 0.00 175.10 170.94 1q4t s GLU 51 N -0.64 4.56 0.07 1.54 2.02 -1.26 -1.58 118.70 123.40 1q4t s GLU 51 Ca -0.07 1.16 -0.31 0.00 0.02 0.00 0.00 54.97 55.77 1q4t s GLU 51 Cb -0.03 -3.32 -0.07 0.00 0.10 0.00 0.00 34.13 30.81 1q4t s GLU 51 CO 0.04 0.40 1.34 0.08 0.02 0.00 0.00 175.26 177.14 1q4t s VAL 52 N -0.52 3.63 0.30 2.63 1.01 0.10 -4.93 120.40 122.62 1q4t s VAL 52 Ca 0.38 1.13 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1q4t s VAL 52 Cb -0.22 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1q4t s VAL 52 CO 0.25 0.06 0.15 0.42 0.00 0.00 0.00 175.10 175.99 1q4t s THR 53 N 1.47 0.34 0.48 3.92 -4.23 -1.26 -4.63 115.64 111.73 1q4t s THR 53 Ca 0.63 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.47 1q4t s THR 53 Cb -0.33 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.35 1q4t s THR 53 CO 0.29 0.00 2.18 0.44 -0.54 0.00 0.00 174.62 176.99 1q4t h ASP 54 N 2.23 0.00 0.22 3.99 3.32 -1.95 -0.64 116.42 123.60 1q4t h ASP 54 Ca -0.34 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1q4t h ASP 54 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 1q4t h ASP 54 CO 0.53 0.05 -0.05 0.74 -1.72 0.00 0.00 179.24 178.78 1q4t h THR 55 N 0.00 0.42 -0.01 0.35 2.02 -1.96 -1.25 112.91 112.48 1q4t h THR 55 Ca -0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1q4t h THR 55 Cb 0.20 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1q4t h THR 55 CO 0.01 0.05 -0.46 -0.11 0.37 0.00 0.00 175.52 175.38 1q4t n LEU 56 N -3.58 1.55 -4.99 2.58 7.94 -0.25 -4.96 117.00 115.28 1q4t n LEU 56 Ca -0.02 -0.54 -0.18 0.00 -1.11 0.00 0.00 56.01 54.16 1q4t n LEU 56 Cb 0.16 -0.05 0.01 0.00 0.53 0.00 0.00 43.42 44.07 1q4t n LEU 56 CO 0.27 0.30 0.14 -0.13 -1.11 0.00 0.00 177.39 176.86 1q4t s ARG 57 N -2.56 2.75 0.49 1.96 0.52 -0.47 -0.55 118.95 121.09 1q4t s ARG 57 Ca 0.19 -1.31 0.07 0.00 -0.52 0.00 0.00 55.73 54.16 1q4t s ARG 57 Cb 0.18 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.98 1q4t s ARG 57 CO 0.59 -0.31 0.47 1.14 0.02 0.00 0.00 175.30 177.22 1q4t s GLN 58 N -4.35 2.40 0.64 3.54 1.03 -0.03 -4.60 119.66 118.29 1q4t s GLN 58 Ca 0.54 -1.72 0.34 0.00 0.04 0.00 0.00 55.36 54.56 1q4t s GLN 58 Cb -0.09 -2.34 1.90 0.00 0.03 0.00 0.00 33.01 32.52 1q4t s GLN 58 CO 0.33 -0.48 2.14 0.07 -2.54 0.00 0.00 175.29 174.81 1q4t h ARG 59 N 0.75 0.00 -0.04 9.60 0.11 -1.96 0.30 114.38 123.13 1q4t h ARG 59 Ca -0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1q4t h ARG 59 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1q4t h ARG 59 CO 0.54 0.00 0.00 0.91 0.10 0.00 0.00 179.97 181.52 1q4t n TRP 60 N -3.31 0.05 -0.66 4.08 7.02 -1.26 -4.91 117.44 118.46 1q4t n TRP 60 Ca -0.01 -0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.44 1q4t n TRP 60 Cb 0.26 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.15 1q4t n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1q4t n GLY 61 N 0.95 0.82 3.93 6.99 0.00 0.10 -5.05 105.19 112.92 1q4t n GLY 61 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1q4t n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q4t s LEU 62 N 0.00 4.20 0.26 0.99 2.01 -1.26 -4.68 118.68 120.19 1q4t s LEU 62 Ca 0.00 0.01 -0.31 0.00 0.01 0.00 0.00 54.13 53.85 1q4t s LEU 62 Cb 0.00 -2.74 -0.12 0.00 0.01 0.00 0.00 46.19 43.34 1q4t s LEU 62 CO 0.00 -0.03 1.65 -0.69 1.01 0.00 0.00 176.35 178.29 1q4t s VAL 63 N -1.95 2.05 0.29 -1.59 1.01 0.88 -0.85 120.40 120.25 1q4t s VAL 63 Ca 0.34 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1q4t s VAL 63 Cb -0.09 -3.02 -0.11 0.00 0.00 0.00 0.00 36.38 33.15 1q4t s VAL 63 CO 0.28 0.00 1.56 -2.28 0.00 0.00 0.00 175.10 174.66 1q4t s HIS 64 N 0.52 2.78 0.36 5.22 2.46 0.29 -4.74 115.29 122.17 1q4t s HIS 64 Ca 0.68 0.86 0.08 0.00 0.47 0.00 0.00 55.06 57.16 1q4t s HIS 64 Cb -0.49 -4.02 0.80 0.00 -0.13 0.00 0.00 32.58 28.75 1q4t s HIS 64 CO 0.41 -3.37 1.88 0.78 -2.47 0.00 0.00 174.74 171.97 1q4t h GLY 65 N 4.68 1.16 2.00 1.59 0.00 -1.90 0.29 103.07 110.88 1q4t h GLY 65 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1q4t h GLY 65 CO 0.77 0.11 0.00 -1.33 0.00 0.00 0.00 176.54 176.10 1q4t h GLY 66 N 0.70 0.00 0.88 4.60 0.00 -1.96 -1.98 103.07 105.32 1q4t h GLY 66 Ca 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 1q4t h GLY 66 CO -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.28 1q4t h ALA 67 N 2.00 0.40 -0.22 3.60 0.00 -0.73 0.26 119.26 124.56 1q4t h ALA 67 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1q4t h ALA 67 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1q4t h ALA 67 CO -0.00 0.22 0.10 1.88 0.00 0.00 0.00 179.25 181.45 1q4t h TYR 68 N 0.33 0.33 -0.52 0.00 -1.99 -1.34 -1.17 116.97 112.60 1q4t h TYR 68 Ca 0.07 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.86 1q4t h TYR 68 Cb 0.55 -0.10 -0.07 0.00 2.00 0.00 0.00 36.73 39.11 1q4t h TYR 68 CO 0.05 0.34 0.16 0.00 -0.00 0.00 0.00 178.16 178.71 1q4t h ALA 70 N 1.37 0.56 -0.39 0.00 0.00 -0.73 0.26 119.26 120.33 1q4t h ALA 70 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1q4t h ALA 70 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1q4t h ALA 70 CO -0.29 0.04 0.21 1.25 0.00 0.00 0.00 179.25 180.46 1q4t h LEU 71 N 0.59 0.49 -0.43 0.00 5.85 -0.95 0.17 115.31 121.02 1q4t h LEU 71 Ca 0.16 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1q4t h LEU 71 Cb -0.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1q4t h LEU 71 CO -0.03 0.45 0.12 0.00 -0.34 0.00 0.00 178.44 178.64 1q4t h ALA 72 N 1.06 0.57 -0.17 1.25 0.00 -1.08 -0.11 119.26 120.78 1q4t h ALA 72 Ca 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1q4t h ALA 72 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1q4t h ALA 72 CO -0.02 0.23 0.11 1.49 0.00 0.00 0.00 179.25 181.06 1q4t h GLU 73 N 0.56 0.23 -0.31 0.00 4.57 -0.22 -1.14 114.58 118.28 1q4t h GLU 73 Ca 0.14 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1q4t h GLU 73 Cb 0.29 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1q4t h GLU 73 CO -0.00 0.19 0.10 1.98 -1.18 0.00 0.00 179.01 180.11 1q4t h MET 74 N 0.21 0.47 0.03 1.92 4.05 -0.85 -1.52 114.93 119.24 1q4t h MET 74 Ca 0.06 -0.10 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1q4t h MET 74 Cb 0.02 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1q4t h MET 74 CO -0.01 0.51 -0.02 1.25 0.23 0.00 0.00 176.91 178.86 1q4t h LEU 75 N 0.34 -0.05 -0.47 3.39 5.85 -0.87 0.15 115.31 123.65 1q4t h LEU 75 Ca 0.10 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1q4t h LEU 75 Cb 0.23 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1q4t h LEU 75 CO -0.00 -0.04 0.07 0.00 -0.34 0.00 0.00 178.44 178.13 1q4t h ALA 76 N 0.92 0.63 0.23 1.25 0.00 -1.26 -0.89 119.26 120.14 1q4t h ALA 76 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1q4t h ALA 76 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1q4t h ALA 76 CO -0.00 0.36 -0.11 1.15 0.00 0.00 0.00 179.25 180.64 1q4t h THR 77 N 0.65 0.83 -0.65 0.00 2.02 -1.14 -2.75 112.91 111.87 1q4t h THR 77 Ca 0.14 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1q4t h THR 77 Cb 0.39 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1q4t h THR 77 CO 0.01 0.11 0.41 -0.33 0.37 0.00 0.00 175.52 176.08 1q4t h GLU 78 N -0.57 0.88 -0.04 6.66 4.39 -0.71 0.72 114.58 125.91 1q4t h GLU 78 Ca -0.03 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1q4t h GLU 78 Cb 0.42 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1q4t h GLU 78 CO 0.05 0.61 -0.07 0.00 -1.16 0.00 0.00 179.01 178.44 1q4t h ALA 79 N 1.55 1.82 0.01 3.43 0.00 -1.11 0.39 119.26 125.35 1q4t h ALA 79 Ca 0.24 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1q4t h ALA 79 Cb -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1q4t h ALA 79 CO -0.05 0.14 -0.59 1.15 0.00 0.00 0.00 179.25 179.90 1q4t h THR 80 N 0.05 1.45 -0.93 0.00 2.02 -0.89 -3.26 112.91 111.35 1q4t h THR 80 Ca 0.01 -2.11 0.09 0.00 0.77 0.00 0.00 66.41 65.18 1q4t h THR 80 Cb 0.15 2.67 -0.07 0.00 -1.74 0.00 0.00 68.15 69.16 1q4t h THR 80 CO 0.01 0.61 0.57 0.58 0.37 0.00 0.00 175.52 177.66 1q4t h VAL 81 N -0.17 0.97 -0.95 3.16 2.07 -0.41 -0.63 116.25 120.28 1q4t h VAL 81 Ca -0.08 -0.33 0.18 0.00 0.82 0.00 0.00 66.70 67.29 1q4t h VAL 81 Cb 1.31 -0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1q4t h VAL 81 CO 0.11 0.18 0.60 0.00 0.02 0.00 0.00 177.57 178.49 1q4t h ALA 82 N 1.48 1.86 0.04 1.67 0.00 -0.97 -0.11 119.26 123.23 1q4t h ALA 82 Ca 0.44 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 55.15 1q4t h ALA 82 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1q4t h ALA 82 CO -0.23 -0.17 -1.30 0.28 0.00 0.00 0.00 179.25 177.83 1q4t h VAL 83 N 0.66 0.97 0.00 0.00 2.07 -1.31 -3.41 116.25 115.23 1q4t h VAL 83 Ca 0.51 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 1q4t h VAL 83 Cb 0.91 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1q4t h VAL 83 CO -0.27 0.51 -0.33 -0.37 0.02 0.00 0.00 177.57 177.13 1q4t h VAL 84 N -0.68 0.25 0.01 2.57 -1.51 -0.96 -3.36 116.25 112.57 1q4t h VAL 84 Ca -0.32 -1.37 0.03 0.00 -1.23 0.00 0.00 66.70 63.80 1q4t h VAL 84 Cb 1.49 2.05 -0.04 0.00 -2.13 0.00 0.00 31.29 32.67 1q4t h VAL 84 CO -0.09 0.15 -0.20 -0.74 -1.23 0.00 0.00 177.57 175.45 1q4t h HIS 85 N 0.00 -0.54 0.00 5.19 6.17 -1.14 0.23 115.15 125.07 1q4t h HIS 85 Ca -0.01 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1q4t h HIS 85 Cb 1.13 0.24 0.00 0.00 2.52 0.00 0.00 27.41 31.30 1q4t h HIS 85 CO 0.00 -0.29 0.00 -0.85 0.71 0.00 0.00 177.93 177.50 1q4t n GLU 86 N -5.33 0.02 -0.51 5.26 0.28 -1.26 -1.07 120.64 118.03 1q4t n GLU 86 Ca -0.05 0.24 0.08 0.00 -0.16 0.00 0.00 57.16 57.28 1q4t n GLU 86 Cb 0.25 -1.50 0.29 0.00 1.43 0.00 0.00 31.44 31.91 1q4t n GLU 86 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q4t n LYS 87 N -1.25 3.45 -0.90 3.44 5.02 0.79 -4.92 118.16 123.79 1q4t n LYS 87 Ca 0.01 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 1q4t n LYS 87 Cb 0.01 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1q4t n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q4t n GLY 88 N 0.50 0.63 3.80 0.72 0.00 -0.23 -5.01 105.19 105.60 1q4t n GLY 88 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1q4t n GLY 88 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q4t s MET 89 N -0.10 2.88 0.08 1.61 -1.94 -1.01 -0.58 119.30 120.24 1q4t s MET 89 Ca 0.00 -0.99 0.06 0.00 -1.71 0.00 0.00 55.69 53.05 1q4t s MET 89 Cb 0.00 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 1q4t s MET 89 CO 0.00 0.44 -0.10 0.00 -0.01 0.00 0.00 175.02 175.35 1q4t s MET 90 N -3.50 2.22 -0.07 2.03 0.23 0.28 -3.92 119.30 116.57 1q4t s MET 90 Ca 0.32 -0.95 0.02 0.00 -1.03 0.00 0.00 55.69 54.05 1q4t s MET 90 Cb -0.09 -2.34 0.01 0.00 -1.53 0.00 0.00 34.83 30.89 1q4t s MET 90 CO 0.24 0.53 -0.14 0.00 -2.03 0.00 0.00 175.02 173.62 1q4t s ALA 91 N -1.14 1.43 0.07 3.16 0.00 -1.26 -0.71 121.76 123.31 1q4t s ALA 91 Ca 0.20 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1q4t s ALA 91 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1q4t s ALA 91 CO 0.11 0.12 -0.05 0.14 0.00 0.00 0.00 175.76 176.09 1q4t s VAL 92 N 0.65 0.43 0.14 0.00 -7.23 -0.57 -4.91 120.40 108.90 1q4t s VAL 92 Ca -0.15 -1.71 -0.30 0.00 -1.81 0.00 0.00 61.98 58.01 1q4t s VAL 92 Cb -0.16 -1.39 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 1q4t s VAL 92 CO 0.04 -0.85 1.14 -0.83 -0.31 0.00 0.00 175.10 174.30 1q4t s GLY 93 N -2.72 2.68 -0.18 2.32 0.00 -1.26 -0.41 107.32 107.76 1q4t s GLY 93 Ca 0.05 0.84 0.03 0.00 0.00 0.00 0.00 44.72 45.64 1q4t s GLY 93 CO -0.06 1.81 -0.14 -0.18 0.00 0.00 0.00 173.10 174.53 1q4t n GLN 94 N 2.93 0.59 -3.78 2.90 7.27 0.54 -4.79 117.38 123.05 1q4t n GLN 94 Ca 0.05 0.09 -0.13 0.00 0.07 0.00 0.00 57.00 57.08 1q4t n GLN 94 Cb 0.46 -1.36 -0.11 0.00 2.41 0.00 0.00 30.24 31.64 1q4t n GLN 94 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1q4t s SER 95 N -5.64 -0.28 -0.14 1.69 0.15 -0.92 -5.00 113.70 103.57 1q4t s SER 95 Ca -0.22 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.91 1q4t s SER 95 Cb 0.06 0.56 0.05 0.00 -1.71 0.00 0.00 66.02 64.97 1q4t s SER 95 CO 0.44 -0.14 0.04 0.21 1.20 0.00 0.00 173.24 174.99 1q4t s ASN 96 N -0.03 2.22 -0.30 5.45 3.84 -1.26 -0.53 114.94 124.33 1q4t s ASN 96 Ca -0.02 -0.47 0.02 0.00 0.21 0.00 0.00 52.86 52.60 1q4t s ASN 96 Cb -0.02 -0.43 0.07 0.00 -0.55 0.00 0.00 41.25 40.32 1q4t s ASN 96 CO 0.01 -0.28 -0.02 -2.28 -2.79 0.00 0.00 177.10 171.74 1q4t s HIS 97 N 1.98 3.41 -0.11 0.43 5.65 -0.26 -4.95 115.29 121.45 1q4t s HIS 97 Ca 0.02 -2.38 -0.02 0.00 0.25 0.00 0.00 55.06 52.93 1q4t s HIS 97 Cb -0.15 -2.31 -0.03 0.00 -1.18 0.00 0.00 32.58 28.92 1q4t s HIS 97 CO -0.07 -0.89 -0.04 0.99 -0.65 0.00 0.00 174.74 174.09 1q4t s THR 98 N 1.09 3.94 -0.06 0.89 2.01 -1.26 -0.08 115.64 122.17 1q4t s THR 98 Ca -0.02 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.66 1q4t s THR 98 Cb -0.20 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1q4t s THR 98 CO -0.05 0.56 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.77 1q4t s SER 99 N -0.34 3.25 -0.24 3.53 0.01 0.01 -4.98 113.70 114.93 1q4t s SER 99 Ca 0.06 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 56.79 1q4t s SER 99 Cb -0.12 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.16 1q4t s SER 99 CO 0.02 0.25 0.03 -0.36 0.41 0.00 0.00 173.24 173.58 1q4t s PHE 100 N -0.16 3.04 -0.20 2.43 0.40 -1.26 -1.65 117.98 120.58 1q4t s PHE 100 Ca -0.03 -0.63 0.08 0.00 -0.60 0.00 0.00 56.93 55.75 1q4t s PHE 100 Cb -0.14 -2.19 -0.18 0.00 0.51 0.00 0.00 43.02 41.02 1q4t s PHE 100 CO 0.04 -0.44 -0.08 1.19 0.70 0.00 0.00 175.22 176.63 1q4t n PHE 101 N 4.87 0.00 -3.70 0.36 3.72 0.59 -5.00 117.46 118.31 1q4t n PHE 101 Ca -0.17 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.11 1q4t n PHE 101 Cb 0.51 -0.87 -0.09 0.00 -0.94 0.00 0.00 39.48 38.09 1q4t n PHE 101 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1q4t s ARG 102 N -2.44 0.54 0.85 -1.08 3.52 -0.80 -5.02 118.95 114.52 1q4t s ARG 102 Ca -0.20 0.77 -0.12 0.00 -0.13 0.00 0.00 55.73 56.05 1q4t s ARG 102 Cb 0.07 0.18 0.10 0.00 -1.56 0.00 0.00 34.95 33.74 1q4t s ARG 102 CO 0.62 -0.10 1.10 -1.25 -0.81 0.00 0.00 175.30 174.86 1q4t s PRO 103 N 0.71 1.61 -0.08 5.12 0.04 -1.26 -4.61 135.00 136.53 1q4t s PRO 103 Ca -0.04 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.61 1q4t s PRO 103 Cb -0.05 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1q4t s PRO 103 CO -0.05 -1.94 -0.14 0.08 0.04 0.00 0.00 177.00 174.99 1q4t s VAL 104 N -3.13 1.32 -0.22 -0.36 1.01 -1.26 -5.03 120.40 112.72 1q4t s VAL 104 Ca 0.62 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.13 1q4t s VAL 104 Cb -0.15 -1.20 -0.21 0.00 0.00 0.00 0.00 36.38 34.82 1q4t s VAL 104 CO 0.55 0.40 -0.07 1.17 0.00 0.00 0.00 175.10 177.14 1q4t n LYS 105 N 3.93 0.71 -3.83 2.72 4.81 -1.26 -0.08 118.16 125.15 1q4t n LYS 105 Ca -0.21 0.07 -0.07 0.00 -0.87 0.00 0.00 58.31 57.23 1q4t n LYS 105 Cb 0.52 -1.51 0.01 0.00 0.02 0.00 0.00 35.03 34.07 1q4t n LYS 105 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1q4t s GLU 106 N -2.49 1.83 0.28 1.64 -1.05 -1.26 -4.74 118.70 112.91 1q4t s GLU 106 Ca -0.22 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 1q4t s GLU 106 Cb 0.07 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1q4t s GLU 106 CO 0.70 -0.85 0.00 0.41 0.95 0.00 0.00 175.26 176.47 1q4t n GLY 107 N -0.55 0.95 3.26 -3.83 0.00 -1.26 -4.85 105.19 98.92 1q4t n GLY 107 Ca -0.06 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1q4t n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q4t s HIS 108 N 0.00 0.89 -0.10 1.61 3.76 -1.26 0.03 115.29 120.22 1q4t s HIS 108 Ca 0.00 -1.18 0.01 0.00 -0.15 0.00 0.00 55.06 53.74 1q4t s HIS 108 Cb 0.00 -0.37 0.02 0.00 1.11 0.00 0.00 32.58 33.33 1q4t s HIS 108 CO 0.00 -0.68 -0.12 0.08 -0.85 0.00 0.00 174.74 173.17 1q4t s VAL 109 N -4.09 1.26 -0.11 -0.90 1.01 -0.62 -4.06 120.40 112.90 1q4t s VAL 109 Ca 0.31 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1q4t s VAL 109 Cb 0.06 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1q4t s VAL 109 CO 0.08 0.40 -0.19 -0.13 0.00 0.00 0.00 175.10 175.26 1q4t s ARG 110 N 1.12 3.12 0.02 2.72 0.52 0.65 -1.84 118.95 125.27 1q4t s ARG 110 Ca -0.05 -0.79 0.06 0.00 -0.52 0.00 0.00 55.73 54.42 1q4t s ARG 110 Cb -0.14 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 1q4t s ARG 110 CO -0.02 0.23 -0.15 0.00 0.02 0.00 0.00 175.30 175.38 1q4t s ALA 111 N 0.25 2.71 -0.08 2.13 0.00 0.12 -0.35 121.76 126.54 1q4t s ALA 111 Ca -0.13 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 1q4t s ALA 111 Cb -0.16 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.11 1q4t s ALA 111 CO 0.07 0.58 -0.05 -2.00 0.00 0.00 0.00 175.76 174.36 1q4t s GLU 112 N -1.34 1.09 -0.21 0.00 2.12 -0.01 -1.70 118.70 118.65 1q4t s GLU 112 Ca 0.15 -0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.31 1q4t s GLU 112 Cb -0.11 -1.19 -0.02 0.00 0.26 0.00 0.00 34.13 33.07 1q4t s GLU 112 CO 0.05 -0.20 0.00 0.00 -0.54 0.00 0.00 175.26 174.58 1q4t s ALA 113 N 1.48 3.02 -0.23 6.30 0.00 0.58 -0.33 121.76 132.57 1q4t s ALA 113 Ca -0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1q4t s ALA 113 Cb -0.13 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.20 1q4t s ALA 113 CO -0.04 -0.21 -0.04 0.08 0.00 0.00 0.00 175.76 175.55 1q4t s VAL 114 N 1.10 3.34 0.03 0.00 1.01 -0.08 -1.03 120.40 124.77 1q4t s VAL 114 Ca 0.02 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1q4t s VAL 114 Cb -0.14 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1q4t s VAL 114 CO 0.01 0.38 1.39 -0.60 0.00 0.00 0.00 175.10 176.28 1q4t s ARG 115 N 1.46 4.30 -0.01 2.72 3.52 -0.43 -0.71 118.95 129.81 1q4t s ARG 115 Ca 0.05 1.99 0.07 0.00 -0.13 0.00 0.00 55.73 57.71 1q4t s ARG 115 Cb -0.15 -3.49 -0.10 0.00 -1.56 0.00 0.00 34.95 29.65 1q4t s ARG 115 CO -0.03 -0.53 0.21 0.44 -0.81 0.00 0.00 175.30 174.58 1q4t n ILE 116 N 4.46 0.00 -3.69 4.11 -5.35 0.54 -4.95 119.36 114.48 1q4t n ILE 116 Ca 0.13 -0.22 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 1q4t n ILE 116 Cb 0.43 0.54 -0.10 0.00 -1.74 0.00 0.00 39.64 38.78 1q4t n ILE 116 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1q4t s HIS 117 N -2.26 -0.66 -0.57 4.28 5.04 -1.13 -4.98 115.29 115.02 1q4t s HIS 117 Ca -0.01 1.43 0.04 0.00 -1.54 0.00 0.00 55.06 54.98 1q4t s HIS 117 Cb 0.05 0.30 0.15 0.00 0.04 0.00 0.00 32.58 33.13 1q4t s HIS 117 CO 0.31 -0.35 0.37 0.00 -2.34 0.00 0.00 174.74 172.73 1q4t s ALA 118 N 1.12 3.00 0.69 1.58 0.00 -1.26 -0.74 121.76 126.14 1q4t s ALA 118 Ca -0.07 -3.25 -0.03 0.00 0.00 0.00 0.00 51.96 48.60 1q4t s ALA 118 Cb -0.06 -2.02 0.08 0.00 0.00 0.00 0.00 23.12 21.12 1q4t s ALA 118 CO -0.10 -2.06 0.96 0.20 0.00 0.00 0.00 175.76 174.77 1q4t s GLY 119 N -0.61 1.76 0.39 0.00 0.00 0.10 -4.96 107.32 103.99 1q4t s GLY 119 Ca 0.23 -1.31 0.07 0.00 0.00 0.00 0.00 44.72 43.72 1q4t s GLY 119 CO -0.10 -0.86 1.98 1.48 0.00 0.00 0.00 173.10 175.60 1q4t h SER 120 N -0.47 0.40 0.00 1.64 4.64 -1.99 -3.27 113.55 114.50 1q4t h SER 120 Ca -0.41 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1q4t h SER 120 Cb 1.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1q4t h SER 120 CO 0.50 0.40 -0.66 0.35 -0.87 0.00 0.00 176.83 176.55 1q4t n THR 121 N -4.38 0.00 -3.80 2.95 -2.24 -1.26 -4.79 114.28 100.76 1q4t n THR 121 Ca 0.01 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1q4t n THR 121 Cb 0.16 0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 1q4t n THR 121 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1q4t s THR 122 N -1.82 -0.03 -0.01 4.28 2.01 -1.24 -0.33 115.64 118.51 1q4t s THR 122 Ca 0.00 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1q4t s THR 122 Cb 0.03 -0.11 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 1q4t s THR 122 CO 0.18 0.05 -0.15 0.26 -0.69 0.00 0.00 174.62 174.27 1q4t s TRP 123 N 0.61 2.65 -0.07 4.92 0.52 0.19 0.00 118.94 127.76 1q4t s TRP 123 Ca -0.05 -0.20 0.04 0.00 0.02 0.00 0.00 56.10 55.92 1q4t s TRP 123 Cb -0.07 -1.55 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 1q4t s TRP 123 CO -0.02 0.22 -0.20 0.12 0.02 0.00 0.00 176.95 177.09 1q4t s PHE 124 N -0.84 2.13 0.00 -1.98 5.36 0.08 0.00 117.98 122.74 1q4t s PHE 124 Ca 0.13 -0.76 0.05 0.00 -0.96 0.00 0.00 56.93 55.39 1q4t s PHE 124 Cb -0.11 -1.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 1q4t s PHE 124 CO 0.03 -0.30 -0.15 -1.58 -1.46 0.00 0.00 175.22 171.76 1q4t s TRP 125 N 0.24 1.36 -0.25 10.12 0.52 -0.24 -0.34 118.94 130.36 1q4t s TRP 125 Ca -0.12 -0.28 -0.10 0.00 0.02 0.00 0.00 56.10 55.62 1q4t s TRP 125 Cb -0.15 -0.86 -0.05 0.00 -1.15 0.00 0.00 33.47 31.26 1q4t s TRP 125 CO 0.05 -0.00 0.15 -0.51 0.02 0.00 0.00 176.95 176.66 1q4t s ASP 126 N -0.56 5.98 -0.12 2.95 1.01 0.12 -1.27 116.67 124.78 1q4t s ASP 126 Ca 0.05 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.37 1q4t s ASP 126 Cb -0.06 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.77 1q4t s ASP 126 CO -0.00 0.04 -0.14 -0.69 0.21 0.00 0.00 175.17 174.59 1q4t s VAL 127 N 1.21 3.02 -0.12 -1.27 1.01 0.25 -0.91 120.40 123.58 1q4t s VAL 127 Ca 0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1q4t s VAL 127 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1q4t s VAL 127 CO 0.06 0.53 -0.06 -0.44 0.00 0.00 0.00 175.10 175.18 1q4t s SER 128 N 0.27 4.63 -0.21 3.32 0.01 0.55 -0.90 113.70 121.37 1q4t s SER 128 Ca -0.10 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 1q4t s SER 128 Cb -0.16 -1.54 0.01 0.00 0.21 0.00 0.00 66.02 64.54 1q4t s SER 128 CO 0.06 0.24 -0.10 -0.76 0.41 0.00 0.00 173.24 173.08 1q4t s LEU 129 N -0.06 2.66 0.22 2.44 1.02 0.10 -0.83 118.68 124.24 1q4t s LEU 129 Ca 0.01 -0.56 0.11 0.00 0.02 0.00 0.00 54.13 53.70 1q4t s LEU 129 Cb -0.13 -1.63 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 1q4t s LEU 129 CO 0.03 -0.03 -0.20 -0.13 0.02 0.00 0.00 176.35 176.04 1q4t s ARG 130 N 1.39 1.50 0.46 1.70 0.52 0.52 -0.47 118.95 124.57 1q4t s ARG 130 Ca 0.05 -1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 53.62 1q4t s ARG 130 Cb -0.14 -1.60 0.10 0.00 0.52 0.00 0.00 34.95 33.82 1q4t s ARG 130 CO -0.07 0.31 0.63 -0.40 0.02 0.00 0.00 175.30 175.80 1q4t n ASP 131 N -0.17 0.59 0.30 0.23 5.68 -0.85 -0.25 116.55 122.07 1q4t n ASP 131 Ca -0.09 -1.56 0.19 0.00 -0.50 0.00 0.00 54.79 52.83 1q4t n ASP 131 Cb 0.58 -0.44 0.87 0.00 -1.14 0.00 0.00 41.12 41.00 1q4t n ASP 131 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1q4t h ASP 132 N -0.53 0.00 -0.05 -1.12 3.32 -1.89 -1.29 116.42 114.86 1q4t h ASP 132 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1q4t h ASP 132 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1q4t h ASP 132 CO 0.20 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 1q4t n ALA 133 N -2.11 2.57 -0.87 3.45 0.00 -1.26 -4.92 120.51 117.37 1q4t n ALA 133 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1q4t n ALA 133 Cb 0.22 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1q4t n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q4t n GLY 134 N 1.15 0.76 3.76 0.00 0.00 -0.49 -5.02 105.19 105.35 1q4t n GLY 134 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1q4t n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q4t s ARG 135 N -0.13 4.50 -0.48 1.61 0.52 -1.26 -4.75 118.95 118.96 1q4t s ARG 135 Ca 0.00 2.01 -0.28 0.00 -0.52 0.00 0.00 55.73 56.93 1q4t s ARG 135 Cb 0.00 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.35 1q4t s ARG 135 CO 0.00 0.01 1.41 -1.17 0.02 0.00 0.00 175.30 175.57 1q4t s LEU 136 N -1.62 3.51 -0.07 2.53 2.96 -1.26 -2.02 118.68 122.71 1q4t s LEU 136 Ca 0.47 0.59 0.17 0.00 -0.22 0.00 0.00 54.13 55.15 1q4t s LEU 136 Cb -0.36 -3.34 -0.23 0.00 0.50 0.00 0.00 46.19 42.76 1q4t s LEU 136 CO 0.47 -1.55 0.45 0.00 -1.32 0.00 0.00 176.35 174.40 1q4t s ALA 138 N -2.79 -1.71 0.08 0.00 0.00 -0.98 -0.30 121.76 116.05 1q4t s ALA 138 Ca -0.07 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.62 1q4t s ALA 138 Cb 0.08 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1q4t s ALA 138 CO 0.84 -0.77 -0.10 0.14 0.00 0.00 0.00 175.76 175.87 1q4t s VAL 139 N -3.35 0.84 -0.04 0.00 -7.23 -0.66 -0.72 120.40 109.24 1q4t s VAL 139 Ca 0.05 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1q4t s VAL 139 Cb -0.01 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.79 1q4t s VAL 139 CO -0.08 -0.50 -0.05 -0.55 -0.31 0.00 0.00 175.10 173.62 1q4t s SER 140 N -2.18 0.94 -0.35 4.85 0.15 -0.08 -0.81 113.70 116.22 1q4t s SER 140 Ca 0.01 -0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.42 1q4t s SER 140 Cb -0.05 -0.43 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1q4t s SER 140 CO -0.00 -0.04 0.20 -0.44 1.20 0.00 0.00 173.24 174.16 1q4t s SER 141 N 0.79 5.74 -0.17 5.45 0.01 0.88 -0.59 113.70 125.81 1q4t s SER 141 Ca -0.11 -0.74 -0.05 0.00 1.31 0.00 0.00 55.95 56.36 1q4t s SER 141 Cb -0.14 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 1q4t s SER 141 CO 0.00 -0.30 0.00 -0.04 0.41 0.00 0.00 173.24 173.31 1q4t s MET 142 N 1.61 3.76 -0.24 12.44 -1.94 -0.40 -1.10 119.30 133.43 1q4t s MET 142 Ca 0.04 -0.47 -0.04 0.00 -1.71 0.00 0.00 55.69 53.51 1q4t s MET 142 Cb -0.18 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.62 1q4t s MET 142 CO 0.07 0.21 -0.02 0.45 -0.01 0.00 0.00 175.02 175.72 1q4t s SER 143 N 0.49 4.48 -0.22 3.03 0.15 0.30 -1.08 113.70 120.86 1q4t s SER 143 Ca -0.01 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.01 1q4t s SER 143 Cb -0.14 -1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1q4t s SER 143 CO 0.02 -0.09 -0.01 -0.63 1.20 0.00 0.00 173.24 173.73 1q4t s ILE 144 N 1.44 3.65 0.14 6.45 -1.09 0.10 -0.34 121.20 131.56 1q4t s ILE 144 Ca 0.04 -0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 1q4t s ILE 144 Cb -0.15 -2.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.99 1q4t s ILE 144 CO -0.02 0.41 0.93 0.00 -1.23 0.00 0.00 174.94 175.03 1q4t s ALA 145 N 1.39 3.29 -0.18 9.38 0.00 0.46 -0.64 121.76 135.45 1q4t s ALA 145 Ca 0.05 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.56 1q4t s ALA 145 Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1q4t s ALA 145 CO -0.01 0.05 -0.16 0.08 0.00 0.00 0.00 175.76 175.72 1q4t s VAL 146 N -0.35 2.41 0.07 0.00 1.01 0.55 -1.52 120.40 122.57 1q4t s VAL 146 Ca 0.44 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1q4t s VAL 146 Cb -0.24 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1q4t s VAL 146 CO 0.30 0.51 -0.05 -0.13 0.00 0.00 0.00 175.10 175.73 1q4t s ARG 147 N 1.23 0.66 0.22 2.72 1.81 0.11 -4.56 118.95 121.16 1q4t s ARG 147 Ca 0.03 -1.15 -0.30 0.00 -1.72 0.00 0.00 55.73 52.59 1q4t s ARG 147 Cb -0.14 -0.03 -0.09 0.00 -0.45 0.00 0.00 34.95 34.24 1q4t s ARG 147 CO -0.08 -0.05 1.29 -1.25 -0.68 0.00 0.00 175.30 174.53 1q4t s PRO 148 N -3.37 4.40 0.42 3.54 0.04 -1.26 0.10 135.00 138.87 1q4t s PRO 148 Ca 0.05 2.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 1q4t s PRO 148 Cb 0.03 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.30 1q4t s PRO 148 CO -0.06 -0.21 1.45 -2.13 0.04 0.00 0.00 177.00 176.09 1q4t n ARG 149 N 2.28 2.41 -3.40 4.56 0.63 0.25 -4.71 116.66 118.68 1q4t n ARG 149 Ca 0.05 0.85 -0.34 0.00 -0.92 0.00 0.00 57.85 57.49 1q4t n ARG 149 Cb 0.43 -2.63 -0.06 0.00 0.45 0.00 0.00 32.46 30.65 1q4t n ARG 149 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1q4t s ARG 150 N -2.29 3.91 0.00 -0.14 0.52 -1.26 -5.03 118.95 114.66 1q4t s ARG 150 Ca 0.58 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 1q4t s ARG 150 Cb -0.47 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.13 1q4t s ARG 150 CO 0.60 0.45 0.05 -0.25 0.02 0.00 0.00 175.30 176.17