#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4t n THR 11 N 0.00 0.00 -0.24 0.00 -1.04 -1.25 -3.71 114.28 108.03 1q4t n THR 11 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1q4t n THR 11 Cb 0.00 0.27 0.17 0.00 -1.82 0.00 0.00 70.33 68.94 1q4t n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1q4t h GLY 12 N 0.00 0.99 -0.07 3.41 0.00 -2.00 -0.39 103.07 105.02 1q4t h GLY 12 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1q4t h GLY 12 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 176.98 1q4t n GLY 13 N -1.34 2.05 2.20 4.60 0.00 -1.26 -4.97 105.19 106.47 1q4t n GLY 13 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.34 -3.48 -4.75 1.61 5.15 -0.16 -0.34 115.26 112.96 1q4t n ASN 14 Ca 0.01 0.10 -0.32 0.00 -0.60 0.00 0.00 54.58 53.76 1q4t n ASN 14 Cb 0.21 -2.20 0.08 0.00 -0.53 0.00 0.00 39.78 37.34 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 -2.07 3.22 0.20 1.20 1.02 -1.24 -4.69 118.68 116.32 1q4t s LEU 15 Ca 0.00 2.04 -0.33 0.00 0.02 0.00 0.00 54.13 55.86 1q4t s LEU 15 Cb 0.00 -4.55 -0.13 0.00 0.02 0.00 0.00 46.19 41.52 1q4t s LEU 15 CO 0.00 -2.02 1.54 -0.81 0.02 0.00 0.00 176.35 175.08 1q4t n PRO 16 N -2.97 2.21 -2.90 1.29 -0.04 -1.26 -3.26 135.00 128.07 1q4t n PRO 16 Ca 0.11 0.79 -0.44 0.00 -0.04 0.00 0.00 63.50 63.92 1q4t n PRO 16 Cb 0.52 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 1q4t n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1q4t s ASP 17 N 0.70 6.50 -0.00 3.54 2.15 -1.26 -4.49 116.67 123.81 1q4t s ASP 17 Ca 0.74 -1.76 0.04 0.00 0.43 0.00 0.00 52.55 52.00 1q4t s ASP 17 Cb -0.64 -2.41 -0.04 0.00 -0.30 0.00 0.00 42.92 39.53 1q4t s ASP 17 CO 0.42 -1.17 0.15 1.33 -0.17 0.00 0.00 175.17 175.73 1q4t n VAL 18 N 5.66 0.00 -4.19 1.11 0.24 -1.26 -5.02 118.33 114.86 1q4t n VAL 18 Ca 0.17 -0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1q4t n VAL 18 Cb 0.48 0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 33.70 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 -1.43 1.14 0.10 2.33 0.00 -1.26 -4.89 121.76 117.75 1q4t s ALA 19 Ca 0.01 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.57 1q4t s ALA 19 Cb 0.03 0.08 -0.18 0.00 0.00 0.00 0.00 23.12 23.05 1q4t s ALA 19 CO 0.15 -0.13 1.23 0.66 0.00 0.00 0.00 175.76 177.67 1q4t h SER 20 N 3.15 0.64 -4.66 0.00 4.64 -2.01 -3.46 113.55 111.85 1q4t h SER 20 Ca -0.36 -0.55 -0.32 0.00 -0.47 0.00 0.00 61.79 60.09 1q4t h SER 20 Cb 1.18 -0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 62.86 1q4t h SER 20 CO 0.60 1.36 -0.75 -1.38 -0.87 0.00 0.00 176.83 175.79 1q4t s HIS 21 N -3.14 0.85 0.06 4.77 -3.43 -1.26 -5.16 115.29 107.98 1q4t s HIS 21 Ca -0.07 -0.48 0.08 0.00 -0.80 0.00 0.00 55.06 53.79 1q4t s HIS 21 Cb 0.08 -0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 30.70 1q4t s HIS 21 CO 0.89 -0.04 -0.21 0.71 -2.00 0.00 0.00 174.74 174.10 1q4t s TYR 22 N -1.32 1.79 0.32 0.38 1.51 -1.26 -5.06 117.35 113.71 1q4t s TYR 22 Ca -0.07 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1q4t s TYR 22 Cb -0.10 -1.04 0.55 0.00 -0.11 0.00 0.00 41.96 41.27 1q4t s TYR 22 CO 0.01 0.13 1.97 -1.35 -1.11 0.00 0.00 175.55 175.20 1q4t h PRO 23 N 4.60 0.95 -4.56 -1.71 0.11 -2.03 -3.41 132.00 125.95 1q4t h PRO 23 Ca -0.44 -0.06 -0.44 0.00 0.11 0.00 0.00 66.00 65.17 1q4t h PRO 23 Cb 1.17 -0.21 -0.31 0.00 0.11 0.00 0.00 31.00 31.75 1q4t h PRO 23 CO 0.42 0.63 -0.79 0.08 -0.21 0.00 0.00 178.00 178.13 1q4t s VAL 24 N -5.83 0.83 0.29 3.15 1.01 -1.26 -5.12 120.40 113.47 1q4t s VAL 24 Ca -0.11 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 1q4t s VAL 24 Cb 0.18 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.72 1q4t s VAL 24 CO 0.78 0.26 1.26 0.00 0.00 0.00 0.00 175.10 177.41 1q4t s ALA 25 N 0.32 3.49 0.20 5.51 0.00 -1.26 -4.86 121.76 125.16 1q4t s ALA 25 Ca -0.06 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.86 1q4t s ALA 25 Cb -0.10 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 19.73 1q4t s ALA 25 CO 0.01 -0.51 1.58 -0.92 0.00 0.00 0.00 175.76 175.92 1q4t h TYR 26 N 3.92 -0.92 -0.25 0.00 3.20 -1.98 0.21 116.97 121.15 1q4t h TYR 26 Ca -0.47 0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.55 1q4t h TYR 26 Cb 1.22 0.51 -0.01 0.00 1.54 0.00 0.00 36.73 39.99 1q4t h TYR 26 CO 0.58 -0.38 0.27 0.93 -1.64 0.00 0.00 178.16 177.91 1q4t h GLU 27 N -0.12 0.00 0.00 1.82 3.07 -1.92 -1.60 114.58 115.84 1q4t h GLU 27 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1q4t h GLU 27 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1q4t h GLU 27 CO -0.75 0.00 -1.27 1.04 -1.40 0.00 0.00 179.01 176.63 1q4t n GLN 28 N -3.81 0.58 -1.36 2.33 3.00 0.67 -3.82 117.38 114.98 1q4t n GLN 28 Ca 0.03 0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.76 1q4t n GLN 28 Cb 0.41 -1.72 0.16 0.00 0.00 0.00 0.00 30.24 29.09 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 -3.39 1.98 0.22 5.09 -4.23 -0.63 -4.78 115.64 109.89 1q4t s THR 29 Ca -0.02 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.41 1q4t s THR 29 Cb 0.11 -2.63 0.16 0.00 1.34 0.00 0.00 72.50 71.48 1q4t s THR 29 CO 0.82 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.95 1q4t h LEU 30 N -1.76 0.50 -0.18 4.79 5.85 -1.92 0.14 115.31 122.72 1q4t h LEU 30 Ca -0.52 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.28 1q4t h LEU 30 Cb 1.33 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1q4t h LEU 30 CO 0.58 0.31 -0.03 0.44 -0.34 0.00 0.00 178.44 179.40 1q4t h ASP 31 N 0.64 -0.15 -0.72 1.25 3.32 -1.92 -0.61 116.42 118.24 1q4t h ASP 31 Ca 0.32 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 1q4t h ASP 31 Cb 0.27 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1q4t h ASP 31 CO -0.22 -0.05 0.29 1.23 -1.72 0.00 0.00 179.24 178.77 1q4t h GLY 32 N 0.01 1.15 1.00 2.75 0.00 -1.16 0.12 103.07 106.94 1q4t h GLY 32 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1q4t h GLY 32 CO -0.18 0.59 0.11 -0.84 0.00 0.00 0.00 176.54 176.22 1q4t h THR 33 N 1.03 1.05 0.00 4.70 2.02 -0.09 -2.83 112.91 118.78 1q4t h THR 33 Ca 0.24 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1q4t h THR 33 Cb 0.21 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1q4t h THR 33 CO -0.02 0.05 -0.36 1.33 0.37 0.00 0.00 175.52 176.88 1q4t n VAL 34 N -4.96 0.13 -1.71 3.16 0.24 -0.30 -4.97 118.33 109.93 1q4t n VAL 34 Ca -0.04 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1q4t n VAL 34 Cb 0.03 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1q4t n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q4t n GLY 35 N 1.45 0.82 3.75 7.63 0.00 0.23 -4.72 105.19 114.34 1q4t n GLY 35 Ca 0.05 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.64 3.67 -0.05 1.61 0.08 -0.15 -4.47 117.98 116.02 1q4t s PHE 36 Ca 0.00 1.71 0.00 0.00 0.12 0.00 0.00 56.93 58.77 1q4t s PHE 36 Cb 0.00 -3.22 0.02 0.00 -0.57 0.00 0.00 43.02 39.25 1q4t s PHE 36 CO 0.00 -0.36 -0.03 0.08 -0.10 0.00 0.00 175.22 174.81 1q4t s VAL 37 N -0.87 0.48 0.07 -0.44 1.01 -0.28 -4.65 120.40 115.72 1q4t s VAL 37 Ca 0.45 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 1q4t s VAL 37 Cb -0.30 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1q4t s VAL 37 CO 0.37 0.23 0.99 -0.63 0.00 0.00 0.00 175.10 176.07 1q4t s ILE 38 N 1.21 4.57 0.00 2.22 1.01 0.54 -0.84 121.20 129.91 1q4t s ILE 38 Ca -0.07 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1q4t s ILE 38 Cb -0.14 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.06 1q4t s ILE 38 CO -0.02 0.24 0.00 -0.67 0.00 0.00 0.00 174.94 174.49 1q4t n ASP 39 N 3.27 0.00 -4.92 3.58 2.03 0.75 -4.72 116.55 116.54 1q4t n ASP 39 Ca 0.04 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.07 1q4t n ASP 39 Cb 0.49 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 1q4t n ASP 39 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1q4t s GLU 40 N 0.00 3.58 -0.26 -0.67 2.02 -1.21 -4.88 118.70 117.27 1q4t s GLU 40 Ca 0.00 -0.16 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 1q4t s GLU 40 Cb 0.00 -2.73 0.15 0.00 0.10 0.00 0.00 34.13 31.64 1q4t s GLU 40 CO 0.00 0.29 0.46 1.41 0.02 0.00 0.00 175.26 177.44 1q4t s MET 41 N -3.49 0.42 0.31 1.61 -2.45 -1.26 -0.28 119.30 114.16 1q4t s MET 41 Ca 0.41 0.77 0.03 0.00 -1.25 0.00 0.00 55.69 55.65 1q4t s MET 41 Cb -0.11 -0.02 -0.05 0.00 1.25 0.00 0.00 34.83 35.91 1q4t s MET 41 CO 0.30 -0.57 0.11 0.95 1.05 0.00 0.00 175.02 176.85 1q4t s THR 42 N 2.66 0.67 0.48 10.11 -4.23 0.64 -5.01 115.64 120.97 1q4t s THR 42 Ca 0.13 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.93 1q4t s THR 42 Cb -0.15 -2.61 0.32 0.00 1.34 0.00 0.00 72.50 71.40 1q4t s THR 42 CO -0.17 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 175.41 1q4t h PRO 43 N 2.20 0.00 -0.01 3.99 0.11 -2.00 -2.98 132.00 133.31 1q4t h PRO 43 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 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 0.61 0.07 -0.15 0.39 -0.21 0.00 0.00 178.00 178.70 1q4t n GLU 44 N -3.69 2.23 -3.63 1.05 1.02 -1.26 -4.85 120.64 111.52 1q4t n GLU 44 Ca -0.02 -0.52 -0.13 0.00 -0.02 0.00 0.00 57.16 56.47 1q4t n GLU 44 Cb 0.18 -1.00 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.12 0.77 0.04 3.49 3.52 -1.13 -0.60 118.95 123.92 1q4t s ARG 45 Ca 0.06 0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 56.46 1q4t s ARG 45 Cb 0.06 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.81 1q4t s ARG 45 CO 0.18 -0.10 0.10 0.00 -0.81 0.00 0.00 175.30 174.67 1q4t s ALA 46 N 0.25 -0.05 0.08 6.12 0.00 0.18 -0.26 121.76 128.08 1q4t s ALA 46 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1q4t s ALA 46 Cb -0.05 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1q4t s ALA 46 CO -0.00 -0.33 -0.07 0.95 0.00 0.00 0.00 175.76 176.30 1q4t s THR 47 N -2.74 0.68 0.20 0.00 -4.23 0.61 -0.65 115.64 109.50 1q4t s THR 47 Ca -0.04 -1.68 -0.21 0.00 -1.18 0.00 0.00 61.69 58.58 1q4t s THR 47 Cb -0.00 -1.37 0.05 0.00 1.34 0.00 0.00 72.50 72.51 1q4t s THR 47 CO -0.05 -0.71 0.61 0.00 -0.54 0.00 0.00 174.62 173.92 1q4t s ALA 48 N -2.92 -1.35 0.25 3.99 0.00 -0.73 -0.18 121.76 120.83 1q4t s ALA 48 Ca 0.05 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 1q4t s ALA 48 Cb 0.00 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 1q4t s ALA 48 CO -0.03 -0.85 0.48 -1.54 0.00 0.00 0.00 175.76 173.82 1q4t s SER 49 N -2.82 -0.06 -0.20 0.00 1.04 -0.02 -0.43 113.70 111.20 1q4t s SER 49 Ca 0.05 -0.95 -0.19 0.00 0.48 0.00 0.00 55.95 55.33 1q4t s SER 49 Cb -0.02 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.74 1q4t s SER 49 CO -0.06 -1.15 0.56 0.54 0.98 0.00 0.00 173.24 174.11 1q4t s VAL 50 N -3.98 0.00 0.01 5.02 0.11 -0.45 -1.13 120.40 119.99 1q4t s VAL 50 Ca 0.23 -0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.99 1q4t s VAL 50 Cb -0.01 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1q4t s VAL 50 CO 0.09 -0.00 0.91 -0.70 -3.33 0.00 0.00 175.10 172.07 1q4t s GLU 51 N 0.25 4.56 0.01 1.54 2.12 -1.26 -1.32 118.70 124.61 1q4t s GLU 51 Ca -0.00 1.30 -0.30 0.00 0.36 0.00 0.00 54.97 56.32 1q4t s GLU 51 Cb -0.04 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1q4t s GLU 51 CO 0.01 0.04 1.21 0.08 -0.54 0.00 0.00 175.26 176.07 1q4t s VAL 52 N 0.70 4.10 0.29 3.70 1.01 0.26 -4.93 120.40 125.54 1q4t s VAL 52 Ca 0.47 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.97 1q4t s VAL 52 Cb -0.21 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1q4t s VAL 52 CO 0.26 0.06 0.19 0.42 0.00 0.00 0.00 175.10 176.03 1q4t s THR 53 N 1.58 0.16 0.51 3.92 -4.23 -1.26 -4.58 115.64 111.74 1q4t s THR 53 Ca 0.58 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.26 1q4t s THR 53 Cb -0.28 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.37 1q4t s THR 53 CO 0.26 0.00 2.10 0.44 -0.54 0.00 0.00 174.62 176.88 1q4t h ASP 54 N 2.26 0.06 0.06 3.99 3.32 -1.94 -1.18 116.42 122.99 1q4t h ASP 54 Ca -0.31 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1q4t h ASP 54 Cb 1.24 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1q4t h ASP 54 CO 0.47 0.04 -0.01 0.74 -1.72 0.00 0.00 179.24 178.76 1q4t h THR 55 N 0.07 0.31 -0.00 0.35 2.02 -1.97 -0.57 112.91 113.12 1q4t h THR 55 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1q4t h THR 55 Cb 0.26 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1q4t h THR 55 CO -0.01 0.01 -0.67 -0.11 0.37 0.00 0.00 175.52 175.11 1q4t n LEU 56 N -3.52 0.92 -4.99 2.58 7.94 -0.45 -4.96 117.00 114.52 1q4t n LEU 56 Ca -0.03 -0.31 -0.18 0.00 -1.11 0.00 0.00 56.01 54.38 1q4t n LEU 56 Cb 0.10 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 43.94 1q4t n LEU 56 CO 0.25 0.21 0.13 -0.13 -1.11 0.00 0.00 177.39 176.73 1q4t s ARG 57 N -2.89 2.81 0.52 1.96 0.52 -0.22 -1.05 118.95 120.59 1q4t s ARG 57 Ca 0.12 -1.26 0.07 0.00 -0.52 0.00 0.00 55.73 54.14 1q4t s ARG 57 Cb 0.17 -2.72 0.04 0.00 0.52 0.00 0.00 34.95 32.96 1q4t s ARG 57 CO 0.74 -0.24 0.53 1.14 0.02 0.00 0.00 175.30 177.48 1q4t s GLN 58 N -4.31 2.36 0.61 3.54 1.03 -0.15 -4.63 119.66 118.11 1q4t s GLN 58 Ca 0.54 -1.75 0.33 0.00 0.04 0.00 0.00 55.36 54.51 1q4t s GLN 58 Cb -0.09 -2.36 1.94 0.00 0.03 0.00 0.00 33.01 32.53 1q4t s GLN 58 CO 0.32 -0.58 2.26 0.07 -2.54 0.00 0.00 175.29 174.82 1q4t h ARG 59 N 0.63 0.00 -0.00 9.60 0.11 -1.96 -1.28 114.38 121.49 1q4t h ARG 59 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 1q4t h ARG 59 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1q4t h ARG 59 CO 0.52 0.00 -0.01 0.91 0.10 0.00 0.00 179.97 181.49 1q4t n TRP 60 N -3.64 0.00 -0.44 4.08 7.02 -1.26 -4.90 117.44 118.30 1q4t n TRP 60 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1q4t n TRP 60 Cb 0.12 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 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 1.07 0.72 3.92 6.99 0.00 -0.48 -5.07 105.19 112.35 1q4t n GLY 61 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 4.16 0.20 0.99 2.01 -1.26 -4.71 118.68 120.07 1q4t s LEU 62 Ca 0.00 -0.02 -0.32 0.00 0.01 0.00 0.00 54.13 53.80 1q4t s LEU 62 Cb 0.00 -2.70 -0.12 0.00 0.01 0.00 0.00 46.19 43.38 1q4t s LEU 62 CO 0.00 -0.05 1.69 -0.69 1.01 0.00 0.00 176.35 178.31 1q4t s VAL 63 N -2.01 2.15 0.32 -1.59 1.01 0.10 -0.98 120.40 119.41 1q4t s VAL 63 Ca 0.34 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 1q4t s VAL 63 Cb -0.09 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 33.11 1q4t s VAL 63 CO 0.28 0.01 1.51 -2.28 0.00 0.00 0.00 175.10 174.61 1q4t s HIS 64 N 1.15 2.76 0.33 5.22 2.46 -0.22 -4.75 115.29 122.25 1q4t s HIS 64 Ca 0.74 1.01 0.05 0.00 0.47 0.00 0.00 55.06 57.33 1q4t s HIS 64 Cb -0.48 -3.98 0.70 0.00 -0.13 0.00 0.00 32.58 28.68 1q4t s HIS 64 CO 0.32 -3.09 1.89 0.78 -2.47 0.00 0.00 174.74 172.17 1q4t h GLY 65 N 4.13 1.26 2.00 1.59 0.00 -1.90 0.24 103.07 110.39 1q4t h GLY 65 Ca -0.48 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1q4t h GLY 65 CO 0.73 0.17 -0.04 -1.33 0.00 0.00 0.00 176.54 176.07 1q4t h GLY 66 N 0.83 0.00 1.00 4.60 0.00 -1.96 -2.11 103.07 105.43 1q4t h GLY 66 Ca 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.63 1q4t h GLY 66 CO -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 176.54 176.10 1q4t h ALA 67 N 1.96 0.47 -0.47 3.60 0.00 -0.82 0.18 119.26 124.18 1q4t h ALA 67 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1q4t h ALA 67 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1q4t h ALA 67 CO 0.00 0.47 0.12 1.88 0.00 0.00 0.00 179.25 181.72 1q4t h TYR 68 N 0.52 0.79 -0.65 0.00 -1.99 -1.35 -1.15 116.97 113.15 1q4t h TYR 68 Ca 0.06 -0.09 0.05 0.00 2.00 0.00 0.00 58.73 60.74 1q4t h TYR 68 Cb 0.82 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 39.28 1q4t h TYR 68 CO 0.07 0.72 0.37 0.00 -0.00 0.00 0.00 178.16 179.32 1q4t h ALA 70 N 1.32 0.76 -0.33 0.00 0.00 -0.74 0.17 119.26 120.45 1q4t h ALA 70 Ca 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1q4t h ALA 70 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1q4t h ALA 70 CO -0.15 0.65 0.17 1.25 0.00 0.00 0.00 179.25 181.17 1q4t h LEU 71 N 0.92 0.42 -0.74 0.00 5.85 -0.93 0.97 115.31 121.79 1q4t h LEU 71 Ca 0.15 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1q4t h LEU 71 Cb 0.64 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1q4t h LEU 71 CO 0.04 0.41 0.27 0.00 -0.34 0.00 0.00 178.44 178.82 1q4t h ALA 72 N 1.03 0.96 0.26 1.25 0.00 -1.10 -0.89 119.26 120.78 1q4t h ALA 72 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1q4t h ALA 72 Cb 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1q4t h ALA 72 CO -0.02 0.61 -0.13 1.49 0.00 0.00 0.00 179.25 181.21 1q4t h GLU 73 N 1.08 -0.34 -0.33 0.00 4.57 -0.21 -1.40 114.58 117.95 1q4t h GLU 73 Ca 0.24 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1q4t h GLU 73 Cb 0.25 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1q4t h GLU 73 CO -0.02 -0.12 0.22 1.98 -1.18 0.00 0.00 179.01 179.89 1q4t h MET 74 N -0.51 0.44 0.04 1.92 4.05 -0.71 -2.03 114.93 118.13 1q4t h MET 74 Ca -0.04 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1q4t h MET 74 Cb 0.38 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1q4t h MET 74 CO 0.06 0.30 -0.16 1.25 0.23 0.00 0.00 176.91 178.58 1q4t h LEU 75 N 0.44 -0.46 -0.85 3.39 5.85 -1.07 0.35 115.31 122.98 1q4t h LEU 75 Ca 0.12 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 1q4t h LEU 75 Cb -0.04 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1q4t h LEU 75 CO -0.03 -0.23 -0.01 0.00 -0.34 0.00 0.00 178.44 177.84 1q4t h ALA 76 N 0.61 1.04 -0.03 1.25 0.00 -1.26 0.36 119.26 121.22 1q4t h ALA 76 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1q4t h ALA 76 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1q4t h ALA 76 CO -0.12 0.60 -0.04 1.15 0.00 0.00 0.00 179.25 180.83 1q4t h THR 77 N 0.79 1.40 -0.78 0.00 2.02 -1.13 -2.62 112.91 112.59 1q4t h THR 77 Ca 0.15 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 1q4t h THR 77 Cb 0.48 2.18 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 1q4t h THR 77 CO 0.02 0.34 0.38 -0.33 0.37 0.00 0.00 175.52 176.30 1q4t h GLU 78 N -0.41 1.12 -0.61 6.66 4.39 -0.22 0.32 114.58 125.84 1q4t h GLU 78 Ca 0.00 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.57 1q4t h GLU 78 Cb 0.57 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1q4t h GLU 78 CO 0.01 0.86 0.40 0.00 -1.16 0.00 0.00 179.01 179.12 1q4t h ALA 79 N 1.30 1.65 -0.09 3.43 0.00 -0.92 0.19 119.26 124.83 1q4t h ALA 79 Ca 0.27 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1q4t h ALA 79 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1q4t h ALA 79 CO -0.03 0.29 -0.17 1.15 0.00 0.00 0.00 179.25 180.48 1q4t h THR 80 N 0.74 1.40 -0.76 0.00 2.02 -0.89 -3.15 112.91 112.27 1q4t h THR 80 Ca 0.24 -1.47 0.15 0.00 0.77 0.00 0.00 66.41 66.10 1q4t h THR 80 Cb 0.05 2.15 -0.10 0.00 -1.74 0.00 0.00 68.15 68.51 1q4t h THR 80 CO -0.06 0.42 0.28 0.58 0.37 0.00 0.00 175.52 177.11 1q4t h VAL 81 N -0.19 0.62 -1.01 3.16 2.07 0.41 -0.64 116.25 120.68 1q4t h VAL 81 Ca 0.00 -0.14 0.23 0.00 0.82 0.00 0.00 66.70 67.62 1q4t h VAL 81 Cb 0.76 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 1q4t h VAL 81 CO 0.04 0.07 0.62 0.00 0.02 0.00 0.00 177.57 178.32 1q4t h ALA 82 N 1.57 1.90 0.07 1.67 0.00 -0.61 -2.00 119.26 121.85 1q4t h ALA 82 Ca 0.42 0.09 -0.32 0.00 0.00 0.00 0.00 54.91 55.10 1q4t h ALA 82 Cb 0.67 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1q4t h ALA 82 CO -0.43 -0.32 -1.76 0.28 0.00 0.00 0.00 179.25 177.03 1q4t n VAL 83 N -4.76 1.67 0.12 0.00 0.31 -0.40 -4.59 118.33 110.69 1q4t n VAL 83 Ca 0.25 -0.41 0.04 0.00 -0.01 0.00 0.00 64.34 64.21 1q4t n VAL 83 Cb 0.73 -1.85 0.01 0.00 -0.91 0.00 0.00 33.84 31.82 1q4t n VAL 83 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1q4t h VAL 84 N -0.37 0.60 -0.27 2.52 -1.51 -1.00 -3.37 116.25 112.85 1q4t h VAL 84 Ca -0.41 -1.92 0.06 0.00 -1.23 0.00 0.00 66.70 63.19 1q4t h VAL 84 Cb 1.74 2.20 -0.08 0.00 -2.13 0.00 0.00 31.29 33.02 1q4t h VAL 84 CO -0.05 0.34 -0.42 -0.74 -1.23 0.00 0.00 177.57 175.48 1q4t h HIS 85 N 0.00 -1.22 0.00 5.19 6.17 -1.50 0.22 115.15 124.02 1q4t h HIS 85 Ca -0.04 0.06 -0.00 0.00 0.71 0.00 0.00 60.37 61.09 1q4t h HIS 85 Cb 1.36 0.57 -0.00 0.00 2.52 0.00 0.00 27.41 31.86 1q4t h HIS 85 CO 0.00 -0.45 -0.01 1.05 0.71 0.00 0.00 177.93 179.22 1q4t h GLU 86 N -0.40 0.00 -0.59 5.26 4.11 -1.82 0.20 114.58 121.34 1q4t h GLU 86 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1q4t h GLU 86 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1q4t h GLU 86 CO -0.49 0.01 0.00 1.63 0.07 0.00 0.00 179.01 180.23 1q4t n LYS 87 N -3.42 2.18 -1.00 1.06 5.02 0.67 -4.86 118.16 117.81 1q4t n LYS 87 Ca -0.03 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1q4t n LYS 87 Cb 0.10 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.57 0.54 3.98 0.72 0.00 0.70 -5.02 105.19 106.68 1q4t n GLY 88 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.05 2.81 0.10 1.61 -1.94 -0.55 -2.18 119.30 119.10 1q4t s MET 89 Ca 0.00 -1.26 0.09 0.00 -1.71 0.00 0.00 55.69 52.81 1q4t s MET 89 Cb 0.00 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 1q4t s MET 89 CO 0.00 -0.20 -0.22 1.41 -0.01 0.00 0.00 175.02 176.00 1q4t s MET 90 N -4.28 1.70 -0.03 2.03 -2.45 0.48 -4.00 119.30 112.75 1q4t s MET 90 Ca 0.52 -1.20 -0.00 0.00 -1.25 0.00 0.00 55.69 53.76 1q4t s MET 90 Cb -0.09 -2.03 0.03 0.00 1.25 0.00 0.00 34.83 33.99 1q4t s MET 90 CO 0.32 0.48 0.01 0.00 1.05 0.00 0.00 175.02 176.88 1q4t s ALA 91 N -1.03 0.32 0.04 4.11 0.00 -1.26 -0.28 121.76 123.67 1q4t s ALA 91 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1q4t s ALA 91 Cb -0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 1q4t s ALA 91 CO 0.07 -0.16 -0.04 0.14 0.00 0.00 0.00 175.76 175.77 1q4t s VAL 92 N 1.24 0.30 0.17 0.00 -7.23 -0.82 -4.92 120.40 109.14 1q4t s VAL 92 Ca -0.07 -1.40 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1q4t s VAL 92 Cb -0.13 -0.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.77 1q4t s VAL 92 CO -0.02 -0.71 1.32 -0.83 -0.31 0.00 0.00 175.10 174.54 1q4t s GLY 93 N -2.22 2.33 -0.09 2.32 0.00 -1.26 -0.80 107.32 107.60 1q4t s GLY 93 Ca -0.03 1.08 0.07 0.00 0.00 0.00 0.00 44.72 45.85 1q4t s GLY 93 CO -0.05 2.13 0.02 -0.18 0.00 0.00 0.00 173.10 175.03 1q4t n GLN 94 N 3.07 2.36 -3.73 2.90 7.27 0.09 -4.81 117.38 124.53 1q4t n GLN 94 Ca 0.08 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.02 1q4t n GLN 94 Cb 0.43 -1.23 -0.10 0.00 2.41 0.00 0.00 30.24 31.75 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 -4.18 -0.42 -0.13 1.69 0.15 -1.01 -5.00 113.70 104.80 1q4t s SER 95 Ca -0.05 0.80 -0.04 0.00 0.70 0.00 0.00 55.95 57.36 1q4t s SER 95 Cb 0.03 0.78 0.05 0.00 -1.71 0.00 0.00 66.02 65.17 1q4t s SER 95 CO 0.36 -0.15 0.07 0.21 1.20 0.00 0.00 173.24 174.94 1q4t s ASN 96 N 0.45 1.96 -0.31 5.45 3.84 -1.26 -0.81 114.94 124.26 1q4t s ASN 96 Ca -0.02 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.69 1q4t s ASN 96 Cb -0.04 -0.24 0.08 0.00 -0.55 0.00 0.00 41.25 40.51 1q4t s ASN 96 CO -0.02 -0.31 0.00 -2.28 -2.79 0.00 0.00 177.10 171.70 1q4t s HIS 97 N 2.13 3.55 -0.14 0.43 5.65 -0.84 -4.98 115.29 121.10 1q4t s HIS 97 Ca 0.03 -2.65 -0.04 0.00 0.25 0.00 0.00 55.06 52.65 1q4t s HIS 97 Cb -0.15 -2.55 -0.03 0.00 -1.18 0.00 0.00 32.58 28.67 1q4t s HIS 97 CO -0.07 -0.92 0.01 0.99 -0.65 0.00 0.00 174.74 174.10 1q4t s THR 98 N 1.01 4.31 -0.07 0.89 2.01 -1.26 -0.22 115.64 122.31 1q4t s THR 98 Ca 0.03 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1q4t s THR 98 Cb -0.20 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 1q4t s THR 98 CO -0.06 0.53 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.72 1q4t s SER 99 N -0.12 3.22 -0.31 3.53 0.01 0.11 -4.98 113.70 115.16 1q4t s SER 99 Ca 0.04 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 56.73 1q4t s SER 99 Cb -0.13 -0.94 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 1q4t s SER 99 CO 0.02 0.24 0.15 -0.36 0.41 0.00 0.00 173.24 173.70 1q4t s PHE 100 N -0.14 3.18 -0.20 2.43 0.40 -1.26 -1.81 117.98 120.59 1q4t s PHE 100 Ca -0.04 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.68 1q4t s PHE 100 Cb -0.14 -2.35 -0.21 0.00 0.51 0.00 0.00 43.02 40.83 1q4t s PHE 100 CO 0.04 -0.47 0.04 1.19 0.70 0.00 0.00 175.22 176.73 1q4t n PHE 101 N 4.98 0.55 -3.71 0.36 3.72 0.15 -4.99 117.46 118.51 1q4t n PHE 101 Ca -0.14 0.12 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1q4t n PHE 101 Cb 0.49 -1.07 -0.10 0.00 -0.94 0.00 0.00 39.48 37.86 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 -2.54 0.53 0.73 -1.08 3.52 -0.63 -5.02 118.95 114.45 1q4t s ARG 102 Ca -0.29 0.70 -0.11 0.00 -0.13 0.00 0.00 55.73 55.90 1q4t s ARG 102 Cb 0.08 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.71 1q4t s ARG 102 CO 0.68 -0.08 1.07 -1.25 -0.81 0.00 0.00 175.30 174.91 1q4t s PRO 103 N 0.48 2.67 -0.10 5.12 0.04 -1.26 -4.58 135.00 137.36 1q4t s PRO 103 Ca -0.02 0.97 0.03 0.00 0.04 0.00 0.00 61.00 62.02 1q4t s PRO 103 Cb -0.04 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1q4t s PRO 103 CO -0.02 -1.30 -0.21 0.08 0.04 0.00 0.00 177.00 175.59 1q4t s VAL 104 N -3.02 1.86 -0.20 -0.36 1.01 -1.26 -5.00 120.40 113.43 1q4t s VAL 104 Ca 0.59 -0.89 0.12 0.00 0.00 0.00 0.00 61.98 61.80 1q4t s VAL 104 Cb -0.15 -1.63 -0.21 0.00 0.00 0.00 0.00 36.38 34.39 1q4t s VAL 104 CO 0.55 0.52 -0.01 1.17 0.00 0.00 0.00 175.10 177.33 1q4t n LYS 105 N 3.71 0.89 -3.83 2.72 4.81 -1.26 0.02 118.16 125.23 1q4t n LYS 105 Ca -0.20 0.03 -0.07 0.00 -0.87 0.00 0.00 58.31 57.21 1q4t n LYS 105 Cb 0.52 -1.47 0.01 0.00 0.02 0.00 0.00 35.03 34.11 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 -2.45 1.83 1.14 1.64 -1.05 -1.26 -4.77 118.70 113.78 1q4t s GLU 106 Ca -0.15 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 1q4t s GLU 106 Cb 0.06 0.55 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 0.00 175.26 176.46 1q4t n GLY 107 N -0.54 1.00 3.28 -3.83 0.00 -1.26 -4.81 105.19 99.03 1q4t n GLY 107 Ca -0.06 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 1.39 -0.12 1.61 3.76 -1.26 0.92 115.29 121.58 1q4t s HIS 108 Ca 0.00 -1.12 0.03 0.00 -0.15 0.00 0.00 55.06 53.82 1q4t s HIS 108 Cb 0.00 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.90 1q4t s HIS 108 CO 0.00 -0.29 -0.22 0.08 -0.85 0.00 0.00 174.74 173.46 1q4t s VAL 109 N -3.73 1.99 -0.14 -0.90 1.01 -0.43 -3.87 120.40 114.33 1q4t s VAL 109 Ca 0.32 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1q4t s VAL 109 Cb 0.07 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1q4t s VAL 109 CO 0.10 0.54 -0.21 -0.13 0.00 0.00 0.00 175.10 175.40 1q4t s ARG 110 N 0.70 3.08 -0.07 2.72 0.52 -0.04 -1.34 118.95 124.50 1q4t s ARG 110 Ca -0.10 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 1q4t s ARG 110 Cb -0.16 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.81 1q4t s ARG 110 CO 0.01 0.02 -0.09 0.00 0.02 0.00 0.00 175.30 175.26 1q4t s ALA 111 N 0.75 2.87 -0.12 2.13 0.00 0.42 0.45 121.76 128.26 1q4t s ALA 111 Ca -0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1q4t s ALA 111 Cb -0.16 -1.17 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1q4t s ALA 111 CO -0.00 0.53 -0.05 -2.00 0.00 0.00 0.00 175.76 174.24 1q4t s GLU 112 N -0.66 1.32 -0.24 0.00 2.12 0.16 -1.77 118.70 119.64 1q4t s GLU 112 Ca 0.10 -0.28 -0.08 0.00 0.36 0.00 0.00 54.97 55.07 1q4t s GLU 112 Cb -0.11 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.61 1q4t s GLU 112 CO 0.01 -0.34 0.10 0.00 -0.54 0.00 0.00 175.26 174.50 1q4t s ALA 113 N 1.74 3.34 -0.17 6.30 0.00 0.17 -0.93 121.76 132.22 1q4t s ALA 113 Ca 0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1q4t s ALA 113 Cb -0.13 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1q4t s ALA 113 CO -0.08 -0.30 -0.14 0.14 0.00 0.00 0.00 175.76 175.38 1q4t s VAL 114 N 1.27 2.69 0.09 0.00 -7.23 -0.17 -0.64 120.40 116.41 1q4t s VAL 114 Ca 0.06 -0.75 -0.31 0.00 -1.81 0.00 0.00 61.98 59.17 1q4t s VAL 114 Cb -0.14 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 34.58 1q4t s VAL 114 CO 0.05 0.50 1.31 -0.60 -0.31 0.00 0.00 175.10 176.05 1q4t s ARG 115 N 0.98 4.36 -0.00 4.82 3.52 0.23 -1.39 118.95 131.47 1q4t s ARG 115 Ca -0.02 1.95 0.06 0.00 -0.13 0.00 0.00 55.73 57.59 1q4t s ARG 115 Cb -0.15 -3.31 -0.08 0.00 -1.56 0.00 0.00 34.95 29.86 1q4t s ARG 115 CO -0.03 -0.38 0.20 0.44 -0.81 0.00 0.00 175.30 174.73 1q4t n ILE 116 N 3.99 0.00 -3.68 4.11 -5.35 0.20 -4.95 119.36 113.68 1q4t n ILE 116 Ca 0.11 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 1q4t n ILE 116 Cb 0.44 0.72 -0.09 0.00 -1.74 0.00 0.00 39.64 38.97 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 -1.94 -0.72 -0.57 4.28 5.04 -1.02 -4.96 115.29 115.41 1q4t s HIS 117 Ca 0.00 1.58 0.04 0.00 -1.54 0.00 0.00 55.06 55.15 1q4t s HIS 117 Cb 0.04 0.33 0.16 0.00 0.04 0.00 0.00 32.58 33.15 1q4t s HIS 117 CO 0.25 -0.36 0.40 0.00 -2.34 0.00 0.00 174.74 172.68 1q4t s ALA 118 N 0.95 2.90 0.91 1.58 0.00 -1.26 -0.12 121.76 126.72 1q4t s ALA 118 Ca -0.05 -3.25 -0.12 0.00 0.00 0.00 0.00 51.96 48.54 1q4t s ALA 118 Cb -0.05 -1.98 0.19 0.00 0.00 0.00 0.00 23.12 21.28 1q4t s ALA 118 CO -0.08 -2.06 1.25 0.20 0.00 0.00 0.00 175.76 175.07 1q4t s GLY 119 N -0.70 1.79 0.36 0.00 0.00 0.11 -4.96 107.32 103.92 1q4t s GLY 119 Ca 0.25 -1.43 0.18 0.00 0.00 0.00 0.00 44.72 43.72 1q4t s GLY 119 CO -0.14 -0.68 1.73 1.48 0.00 0.00 0.00 173.10 175.49 1q4t h SER 120 N -1.40 0.00 0.00 1.64 4.64 -1.99 -3.33 113.55 113.12 1q4t h SER 120 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1q4t h SER 120 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1q4t h SER 120 CO 0.36 0.40 -1.16 0.35 -0.87 0.00 0.00 176.83 175.90 1q4t n THR 121 N -3.59 0.00 -3.79 2.95 -2.24 -1.26 -4.75 114.28 101.60 1q4t n THR 121 Ca -0.00 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1q4t n THR 121 Cb 0.51 0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.31 -0.02 0.09 4.28 2.01 -1.25 0.97 115.64 119.41 1q4t s THR 122 Ca -0.02 0.07 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1q4t s THR 122 Cb 0.04 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 1q4t s THR 122 CO 0.24 0.03 -0.11 0.26 -0.69 0.00 0.00 174.62 174.34 1q4t s TRP 123 N 0.53 2.71 -0.06 4.92 0.52 0.45 0.07 118.94 128.07 1q4t s TRP 123 Ca -0.04 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 55.94 1q4t s TRP 123 Cb -0.05 -1.44 0.02 0.00 -1.15 0.00 0.00 33.47 30.84 1q4t s TRP 123 CO -0.02 0.40 -0.10 0.12 0.02 0.00 0.00 176.95 177.36 1q4t s PHE 124 N -1.15 1.28 -0.01 -1.98 5.36 0.83 0.46 117.98 122.77 1q4t s PHE 124 Ca 0.20 -0.46 0.05 0.00 -0.96 0.00 0.00 56.93 55.76 1q4t s PHE 124 Cb -0.11 -0.97 -0.01 0.00 -0.34 0.00 0.00 43.02 41.59 1q4t s PHE 124 CO 0.12 -0.25 -0.16 -1.58 -1.46 0.00 0.00 175.22 171.89 1q4t s TRP 125 N 0.71 1.40 -0.25 10.12 0.52 -0.53 0.62 118.94 131.54 1q4t s TRP 125 Ca -0.14 -0.27 -0.11 0.00 0.02 0.00 0.00 56.10 55.60 1q4t s TRP 125 Cb -0.15 -0.91 -0.05 0.00 -1.15 0.00 0.00 33.47 31.21 1q4t s TRP 125 CO 0.03 -0.03 0.17 -0.51 0.02 0.00 0.00 176.95 176.63 1q4t s ASP 126 N -0.34 6.08 -0.12 2.95 1.01 -0.48 -0.75 116.67 125.01 1q4t s ASP 126 Ca 0.05 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1q4t s ASP 126 Cb -0.06 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 1q4t s ASP 126 CO -0.00 0.03 -0.13 -0.69 0.21 0.00 0.00 175.17 174.59 1q4t s VAL 127 N 1.26 3.09 -0.14 -1.27 1.01 0.41 -1.00 120.40 123.78 1q4t s VAL 127 Ca 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1q4t s VAL 127 Cb -0.14 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 1q4t s VAL 127 CO 0.06 0.53 -0.07 -0.94 0.00 0.00 0.00 175.10 174.68 1q4t s SER 128 N 0.23 4.50 -0.21 3.32 1.04 -0.11 -0.32 113.70 122.15 1q4t s SER 128 Ca -0.08 -0.19 -0.00 0.00 0.48 0.00 0.00 55.95 56.16 1q4t s SER 128 Cb -0.15 -1.64 0.02 0.00 0.10 0.00 0.00 66.02 64.35 1q4t s SER 128 CO 0.05 0.19 -0.13 -0.76 0.98 0.00 0.00 173.24 173.58 1q4t s LEU 129 N 0.21 2.68 0.28 2.42 1.02 0.37 -0.66 118.68 124.99 1q4t s LEU 129 Ca -0.04 -0.75 0.11 0.00 0.02 0.00 0.00 54.13 53.47 1q4t s LEU 129 Cb -0.14 -1.58 -0.05 0.00 0.02 0.00 0.00 46.19 44.44 1q4t s LEU 129 CO 0.04 -0.06 -0.12 -0.13 0.02 0.00 0.00 176.35 176.10 1q4t s ARG 130 N 1.31 1.93 0.64 1.70 0.52 0.17 -1.24 118.95 123.98 1q4t s ARG 130 Ca 0.02 -1.64 -0.01 0.00 -0.52 0.00 0.00 55.73 53.58 1q4t s ARG 130 Cb -0.15 -1.92 0.13 0.00 0.52 0.00 0.00 34.95 33.53 1q4t s ARG 130 CO -0.08 0.33 0.88 -0.40 0.02 0.00 0.00 175.30 176.05 1q4t n ASP 131 N -0.74 1.07 0.27 0.23 5.68 -0.64 -0.87 116.55 121.56 1q4t n ASP 131 Ca -0.05 -1.93 0.14 0.00 -0.50 0.00 0.00 54.79 52.45 1q4t n ASP 131 Cb 0.60 -0.58 0.76 0.00 -1.14 0.00 0.00 41.12 40.75 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 -0.59 0.00 -0.13 -1.12 3.32 -1.88 -0.40 116.42 115.62 1q4t h ASP 132 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1q4t h ASP 132 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1q4t h ASP 132 CO 0.30 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.92 1q4t n ALA 133 N -2.24 2.53 -0.89 3.45 0.00 -1.26 -4.86 120.51 117.24 1q4t n ALA 133 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1q4t n ALA 133 Cb 0.24 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.01 0.71 3.78 0.00 0.00 -0.16 -5.03 105.19 105.50 1q4t n GLY 134 Ca 0.15 0.00 -0.37 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 -0.11 4.11 -0.60 1.61 0.52 -1.26 -4.72 118.95 118.50 1q4t s ARG 135 Ca 0.00 1.60 -0.28 0.00 -0.52 0.00 0.00 55.73 56.53 1q4t s ARG 135 Cb 0.00 -2.56 0.03 0.00 0.52 0.00 0.00 34.95 32.94 1q4t s ARG 135 CO 0.00 -0.20 1.20 -1.17 0.02 0.00 0.00 175.30 175.14 1q4t s LEU 136 N -2.63 3.43 -0.11 2.53 2.96 -1.26 -1.62 118.68 121.98 1q4t s LEU 136 Ca 0.58 0.01 0.09 0.00 -0.22 0.00 0.00 54.13 54.59 1q4t s LEU 136 Cb -0.24 -3.07 -0.24 0.00 0.50 0.00 0.00 46.19 43.14 1q4t s LEU 136 CO 0.30 -1.53 0.40 0.00 -1.32 0.00 0.00 176.35 174.20 1q4t s ALA 138 N -2.56 -1.29 0.04 0.00 0.00 -1.03 0.30 121.76 117.22 1q4t s ALA 138 Ca -0.12 0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1q4t s ALA 138 Cb 0.07 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1q4t s ALA 138 CO 0.79 -0.81 -0.06 0.14 0.00 0.00 0.00 175.76 175.83 1q4t s VAL 139 N -3.81 0.44 -0.03 0.00 -7.23 -0.75 -0.48 120.40 108.54 1q4t s VAL 139 Ca 0.05 -1.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 1q4t s VAL 139 Cb -0.01 -0.68 0.02 0.00 0.56 0.00 0.00 36.38 36.26 1q4t s VAL 139 CO -0.07 -0.49 -0.04 -0.55 -0.31 0.00 0.00 175.10 173.64 1q4t s SER 140 N -1.77 0.76 -0.34 4.85 0.15 0.56 -0.71 113.70 117.20 1q4t s SER 140 Ca -0.08 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.33 1q4t s SER 140 Cb -0.08 -0.34 -0.01 0.00 -1.71 0.00 0.00 66.02 63.88 1q4t s SER 140 CO -0.01 -0.04 0.31 -0.44 1.20 0.00 0.00 173.24 174.26 1q4t s SER 141 N 0.77 6.13 -0.12 5.45 0.01 0.69 -0.44 113.70 126.18 1q4t s SER 141 Ca -0.09 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1q4t s SER 141 Cb -0.13 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 1q4t s SER 141 CO -0.00 -0.29 -0.10 -0.04 0.41 0.00 0.00 173.24 173.21 1q4t s MET 142 N 1.90 3.33 -0.20 12.44 -1.94 0.07 -1.98 119.30 132.92 1q4t s MET 142 Ca 0.09 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 53.42 1q4t s MET 142 Cb -0.17 -2.68 -0.01 0.00 2.01 0.00 0.00 34.83 33.98 1q4t s MET 142 CO 0.11 0.30 -0.07 0.45 -0.01 0.00 0.00 175.02 175.80 1q4t s SER 143 N 0.16 4.22 -0.19 3.03 0.15 0.01 -1.45 113.70 119.62 1q4t s SER 143 Ca -0.05 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 56.19 1q4t s SER 143 Cb -0.15 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1q4t s SER 143 CO 0.04 0.03 -0.07 -0.63 1.20 0.00 0.00 173.24 173.81 1q4t s ILE 144 N 1.20 3.30 0.05 6.45 -1.09 0.17 -0.73 121.20 130.55 1q4t s ILE 144 Ca 0.02 -0.53 -0.28 0.00 -2.23 0.00 0.00 60.65 57.63 1q4t s ILE 144 Cb -0.14 -2.47 -0.05 0.00 -1.58 0.00 0.00 42.46 38.22 1q4t s ILE 144 CO -0.02 0.45 0.88 0.00 -1.23 0.00 0.00 174.94 175.03 1q4t s ALA 145 N 1.15 3.27 -0.16 9.38 0.00 0.02 -0.41 121.76 135.00 1q4t s ALA 145 Ca 0.02 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 1q4t s ALA 145 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1q4t s ALA 145 CO -0.01 -0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.67 1q4t s VAL 146 N 0.27 3.10 0.12 0.00 1.01 0.27 -1.93 120.40 123.24 1q4t s VAL 146 Ca 0.45 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1q4t s VAL 146 Cb -0.21 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1q4t s VAL 146 CO 0.26 0.49 0.05 -0.13 0.00 0.00 0.00 175.10 175.77 1q4t s ARG 147 N 0.80 0.91 0.12 2.72 1.81 0.62 -4.53 118.95 121.40 1q4t s ARG 147 Ca -0.04 -1.42 -0.30 0.00 -1.72 0.00 0.00 55.73 52.25 1q4t s ARG 147 Cb -0.15 0.23 -0.06 0.00 -0.45 0.00 0.00 34.95 34.52 1q4t s ARG 147 CO 0.01 -0.25 0.99 -2.14 -0.68 0.00 0.00 175.30 173.23 1q4t s PRO 148 N -4.04 4.68 0.33 3.54 0.02 -1.26 0.18 135.00 138.44 1q4t s PRO 148 Ca 0.23 1.51 -0.29 0.00 0.02 0.00 0.00 61.00 62.47 1q4t s PRO 148 Cb 0.07 -3.36 -0.12 0.00 0.02 0.00 0.00 34.50 31.11 1q4t s PRO 148 CO 0.01 0.18 1.35 0.54 -0.33 0.00 0.00 177.00 178.75 1q4t n ARG 149 N 2.72 2.20 0.23 5.54 1.74 -0.93 -4.71 116.66 123.45 1q4t n ARG 149 Ca 0.02 0.77 0.13 0.00 -0.77 0.00 0.00 57.85 58.01 1q4t n ARG 149 Cb 0.49 -2.39 0.24 0.00 -1.02 0.00 0.00 32.46 29.77 1q4t n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q4t h ARG 150 N 2.99 0.00 -0.03 5.56 3.08 -1.94 -3.50 114.38 120.55 1q4t h ARG 150 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1q4t h ARG 150 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1q4t h ARG 150 CO 0.66 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.31