#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4s h LYS 2 N 0.00 0.95 0.00 2.12 3.64 -2.04 -3.35 116.57 117.89 1i4s h LYS 2 Ca 0.00 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1i4s h LYS 2 Cb 0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1i4s h LYS 2 CO 0.00 0.87 0.00 0.00 -2.27 0.00 0.00 179.45 178.05 1i4s n MET 3 N -4.24 0.00 -0.07 1.90 0.00 -1.26 -4.87 117.12 108.58 1i4s n MET 3 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1i4s n MET 3 Cb 0.26 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.29 1i4s n MET 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1i4s n LEU 4 N -1.23 0.14 -1.94 3.17 7.94 -1.26 -3.57 117.00 120.25 1i4s n LEU 4 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1i4s n LEU 4 Cb 0.00 -0.63 0.02 0.00 0.53 0.00 0.00 43.42 43.34 1i4s n LEU 4 CO 0.00 -0.07 -0.02 -0.62 -1.11 0.00 0.00 177.39 175.58 1i4s n GLU 5 N -1.98 -2.91 -0.14 1.96 -0.58 -1.26 -4.88 120.64 110.84 1i4s n GLU 5 Ca 0.00 0.58 0.04 0.00 -0.42 0.00 0.00 57.16 57.36 1i4s n GLU 5 Cb 0.00 -4.75 0.12 0.00 -0.57 0.00 0.00 31.44 26.24 1i4s n GLU 5 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1i4s n GLN 6 N -2.76 1.65 0.16 3.49 10.64 -1.23 -3.35 117.38 125.98 1i4s n GLN 6 Ca -0.08 -0.98 0.01 0.00 -1.83 0.00 0.00 57.00 54.11 1i4s n GLN 6 Cb 0.58 -1.23 0.27 0.00 -0.86 0.00 0.00 30.24 29.00 1i4s n GLN 6 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1i4s h LEU 7 N 1.58 0.02 -1.69 2.61 5.85 -1.90 -2.93 115.31 118.86 1i4s h LEU 7 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1i4s h LEU 7 Cb 0.38 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1i4s h LEU 7 CO 0.01 0.49 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.16 1i4s h GLU 8 N 0.02 0.00 0.08 1.25 5.08 -1.76 0.96 114.58 120.21 1i4s h GLU 8 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1i4s h GLU 8 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1i4s h GLU 8 CO 0.06 0.11 -1.40 -0.22 -1.00 0.00 0.00 179.01 176.56 1i4s h LYS 9 N 0.00 0.17 -0.10 2.33 1.63 -1.76 0.74 116.57 119.58 1i4s h LYS 9 Ca -0.00 -0.29 -0.12 0.00 -0.85 0.00 0.00 60.65 59.38 1i4s h LYS 9 Cb 0.46 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1i4s h LYS 9 CO 0.01 1.03 -0.48 0.87 -3.45 0.00 0.00 179.45 177.44 1i4s h LYS 10 N 0.05 0.25 0.00 1.90 1.57 -1.32 -3.19 116.57 115.84 1i4s h LYS 10 Ca -0.18 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.35 1i4s h LYS 10 Cb 1.96 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 1i4s h LYS 10 CO 0.15 0.68 -0.50 1.25 -0.57 0.00 0.00 179.45 180.46 1i4s h LEU 11 N 0.20 0.00 0.04 2.94 5.85 0.97 -3.47 115.31 121.86 1i4s h LEU 11 Ca 0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1i4s h LEU 11 Cb 0.92 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1i4s h LEU 11 CO 0.07 0.50 -0.02 0.61 -0.34 0.00 0.00 178.44 179.27 1i4s n GLY 12 N 1.21 0.49 3.08 3.75 0.00 0.15 -5.01 105.19 108.86 1i4s n GLY 12 Ca 0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1i4s n GLY 12 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i4s s TYR 13 N -1.99 -0.24 -0.24 1.61 5.04 -0.58 -5.03 117.35 115.91 1i4s s TYR 13 Ca 0.00 0.59 -0.06 0.00 -2.44 0.00 0.00 57.07 55.16 1i4s s TYR 13 Cb 0.00 0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.36 1i4s s TYR 13 CO 0.00 -0.13 0.01 0.99 -1.34 0.00 0.00 175.55 175.09 1i4s s THR 14 N 0.29 3.81 0.29 4.34 2.01 -1.26 -4.39 115.64 120.72 1i4s s THR 14 Ca -0.01 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 1i4s s THR 14 Cb -0.03 -2.78 -0.10 0.00 0.01 0.00 0.00 72.50 69.61 1i4s s THR 14 CO -0.01 0.36 1.23 -0.36 -0.69 0.00 0.00 174.62 175.15 1i4s s PHE 15 N 1.54 3.27 -0.00 4.92 0.40 -1.26 -4.99 117.98 121.86 1i4s s PHE 15 Ca 0.06 1.49 -0.02 0.00 -0.60 0.00 0.00 56.93 57.85 1i4s s PHE 15 Cb -0.15 -3.52 -0.01 0.00 0.51 0.00 0.00 43.02 39.84 1i4s s PHE 15 CO 0.00 -1.39 0.58 0.87 0.70 0.00 0.00 175.22 175.99 1i4s h LYS 16 N 3.88 -0.08 -5.71 0.44 6.56 -1.99 -3.41 116.57 116.24 1i4s h LYS 16 Ca -0.47 0.01 -0.63 0.00 -1.06 0.00 0.00 60.65 58.49 1i4s h LYS 16 Cb 1.22 0.02 -0.13 0.00 -0.57 0.00 0.00 32.23 32.77 1i4s h LYS 16 CO 0.68 -0.06 0.31 0.34 -2.06 0.00 0.00 179.45 178.67 1i4s s ASP 17 N -2.72 6.41 0.00 0.86 2.15 -1.26 -4.91 116.67 117.19 1i4s s ASP 17 Ca -0.01 -0.11 0.21 0.00 0.43 0.00 0.00 52.55 53.06 1i4s s ASP 17 Cb 0.00 -2.37 1.04 0.00 -0.30 0.00 0.00 42.92 41.29 1i4s s ASP 17 CO 0.04 -0.87 1.65 1.17 -0.17 0.00 0.00 175.17 176.99 1i4s n LYS 18 N 6.60 0.30 0.06 4.34 3.00 -1.26 -2.89 118.16 128.31 1i4s n LYS 18 Ca 0.02 0.09 -0.13 0.00 -0.00 0.00 0.00 58.31 58.28 1i4s n LYS 18 Cb 0.48 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.97 1i4s n LYS 18 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1i4s h SER 19 N 0.00 0.56 -0.06 3.14 4.64 -1.98 -3.11 113.55 116.74 1i4s h SER 19 Ca 0.00 -0.43 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 1i4s h SER 19 Cb 0.19 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1i4s h SER 19 CO 0.00 1.23 -0.10 -0.07 -0.87 0.00 0.00 176.83 177.01 1i4s h LEU 20 N 0.25 -0.34 -0.94 5.97 3.38 -1.94 0.12 115.31 121.81 1i4s h LEU 20 Ca -0.08 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.22 1i4s h LEU 20 Cb 1.55 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 42.28 1i4s h LEU 20 CO 0.16 -0.08 0.30 0.25 0.09 0.00 0.00 178.44 179.16 1i4s h LEU 21 N -0.09 0.04 -0.52 1.67 6.46 -1.73 0.19 115.31 121.34 1i4s h LEU 21 Ca 0.01 0.22 -0.15 0.00 -0.12 0.00 0.00 57.88 57.84 1i4s h LEU 21 Cb 0.12 0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1i4s h LEU 21 CO -0.10 -0.23 -0.44 -0.33 -0.62 0.00 0.00 178.44 176.72 1i4s h GLU 22 N 0.16 0.71 -0.07 1.25 5.08 -1.36 -2.63 114.58 117.72 1i4s h GLU 22 Ca 0.64 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1i4s h GLU 22 Cb 1.40 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1i4s h GLU 22 CO -0.72 1.01 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.75 1i4s h LYS 23 N 0.58 0.14 -0.05 2.33 3.64 0.20 -1.67 116.57 121.74 1i4s h LYS 23 Ca 0.04 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1i4s h LYS 23 Cb 0.98 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1i4s h LYS 23 CO 0.09 0.45 -0.53 0.00 -2.27 0.00 0.00 179.45 177.20 1i4s h ALA 24 N 1.55 1.03 -0.01 5.00 0.00 -1.01 -1.42 119.26 124.40 1i4s h ALA 24 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1i4s h ALA 24 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1i4s h ALA 24 CO 0.05 0.67 -0.34 1.28 0.00 0.00 0.00 179.25 180.91 1i4s n LEU 25 N -3.92 1.01 -4.58 0.00 4.77 -0.98 -4.61 117.00 108.70 1i4s n LEU 25 Ca -0.02 -0.26 -0.37 0.00 -0.03 0.00 0.00 56.01 55.34 1i4s n LEU 25 Cb 0.55 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 1i4s n LEU 25 CO 0.42 0.20 -0.21 -0.89 -1.33 0.00 0.00 177.39 175.58 1i4s s THR 26 N -2.61 5.00 0.56 -5.08 2.01 -0.66 -0.47 115.64 114.39 1i4s s THR 26 Ca 0.21 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 1i4s s THR 26 Cb 0.19 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 1i4s s THR 26 CO 0.57 0.33 1.01 -2.28 -0.69 0.00 0.00 174.62 173.56 1i4s s HIS 27 N 1.30 3.46 0.47 4.92 2.46 0.06 -1.48 115.29 126.48 1i4s s HIS 27 Ca 0.06 1.42 0.30 0.00 0.47 0.00 0.00 55.06 57.31 1i4s s HIS 27 Cb -0.14 -2.79 1.65 0.00 -0.13 0.00 0.00 32.58 31.17 1i4s s HIS 27 CO 0.06 -0.54 2.15 -0.24 -2.47 0.00 0.00 174.74 173.70 1i4s h VAL 28 N 0.49 0.47 0.00 0.89 3.04 -1.87 -1.51 116.25 117.75 1i4s h VAL 28 Ca -0.46 -0.33 -0.10 0.00 -1.01 0.00 0.00 66.70 64.80 1i4s h VAL 28 Cb 1.19 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1i4s h VAL 28 CO 0.61 0.07 -0.48 0.77 -1.01 0.00 0.00 177.57 177.53 1i4s h SER 29 N 0.00 0.00 0.06 3.17 4.64 -1.92 -2.89 113.55 116.61 1i4s h SER 29 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i4s h SER 29 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1i4s h SER 29 CO 0.01 0.48 -0.03 0.22 -0.87 0.00 0.00 176.83 176.64 1i4s h TYR 30 N 0.00 -0.07 -3.24 4.77 5.03 -1.58 -3.37 116.97 118.51 1i4s h TYR 30 Ca -0.00 -0.00 -0.44 0.00 2.58 0.00 0.00 58.73 60.86 1i4s h TYR 30 Cb 1.13 0.02 -0.39 0.00 1.55 0.00 0.00 36.73 39.04 1i4s h TYR 30 CO 0.00 0.52 -0.76 0.45 -1.32 0.00 0.00 178.16 177.05 1i4s s SER 31 N -5.80 1.82 0.34 -2.11 0.15 -0.64 -4.96 113.70 102.50 1i4s s SER 31 Ca -0.13 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 56.52 1i4s s SER 31 Cb -0.01 -0.38 0.60 0.00 -1.71 0.00 0.00 66.02 64.53 1i4s s SER 31 CO 0.50 -0.25 1.70 0.07 1.20 0.00 0.00 173.24 176.47 1i4s h LYS 32 N 8.35 0.00 0.00 5.44 2.10 -1.80 -3.31 116.57 127.35 1i4s h LYS 32 Ca -0.17 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.25 1i4s h LYS 32 Cb 1.13 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.41 1i4s h LYS 32 CO 0.25 0.00 -2.04 1.63 -2.00 0.00 0.00 179.45 177.30 1i4s n LYS 33 N -2.72 0.66 -3.48 0.07 5.02 -1.26 -4.73 118.16 111.73 1i4s n LYS 33 Ca 0.04 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.08 1i4s n LYS 33 Cb 0.47 -1.60 -0.11 0.00 -0.02 0.00 0.00 35.03 33.77 1i4s n LYS 33 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1i4s s GLU 34 N -2.82 0.97 0.44 1.97 0.41 -1.25 -5.12 118.70 113.30 1i4s s GLU 34 Ca -0.08 -2.00 0.03 0.00 -0.41 0.00 0.00 54.97 52.52 1i4s s GLU 34 Cb 0.09 -1.62 -0.02 0.00 -1.78 0.00 0.00 34.13 30.79 1i4s s GLU 34 CO 0.84 -1.32 0.09 -3.38 -0.49 0.00 0.00 175.26 171.01 1i4s s HIS 35 N 0.23 1.82 -1.25 1.61 -3.43 -1.25 -4.77 115.29 108.25 1i4s s HIS 35 Ca 0.27 -1.18 0.15 0.00 -0.80 0.00 0.00 55.06 53.51 1i4s s HIS 35 Cb -0.06 -1.30 0.72 0.00 -1.43 0.00 0.00 32.58 30.51 1i4s s HIS 35 CO -0.13 -0.13 1.46 2.48 -2.00 0.00 0.00 174.74 176.42 1i4s n TYR 36 N -1.02 0.00 -0.30 0.38 0.18 -0.54 -4.40 117.16 111.46 1i4s n TYR 36 Ca -0.10 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.76 1i4s n TYR 36 Cb 0.66 -0.38 0.23 0.00 -0.38 0.00 0.00 39.34 39.47 1i4s n TYR 36 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1i4s h GLU 37 N 0.00 0.64 0.02 -3.48 4.81 -1.86 0.28 114.58 114.99 1i4s h GLU 37 Ca 0.00 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 1i4s h GLU 37 Cb 0.19 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1i4s h GLU 37 CO 0.00 0.42 -1.25 1.15 -0.73 0.00 0.00 179.01 178.60 1i4s h THR 38 N 0.66 1.42 -0.35 0.32 2.02 -1.98 -2.93 112.91 112.07 1i4s h THR 38 Ca 0.48 -3.16 -0.00 0.00 0.77 0.00 0.00 66.41 64.49 1i4s h THR 38 Cb 0.67 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.79 1i4s h THR 38 CO -0.36 0.83 0.20 -0.07 0.37 0.00 0.00 175.52 176.49 1i4s h LEU 39 N 0.01 0.43 -0.77 2.58 3.38 -1.64 -2.66 115.31 116.63 1i4s h LEU 39 Ca -0.11 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 57.94 1i4s h LEU 39 Cb 1.87 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 42.41 1i4s h LEU 39 CO 0.12 0.38 0.29 -0.08 0.09 0.00 0.00 178.44 179.24 1i4s h GLU 40 N 0.45 0.39 -0.33 1.13 4.81 -0.47 0.26 114.58 120.82 1i4s h GLU 40 Ca 0.12 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1i4s h GLU 40 Cb 0.04 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1i4s h GLU 40 CO -0.02 0.26 0.09 0.35 -0.73 0.00 0.00 179.01 178.95 1i4s h PHE 41 N 0.40 0.54 -0.13 0.92 3.57 -1.30 -0.07 116.94 120.88 1i4s h PHE 41 Ca 0.44 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 1i4s h PHE 41 Cb 0.71 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1i4s h PHE 41 CO -0.18 0.56 0.06 1.25 -2.23 0.00 0.00 178.31 177.77 1i4s h LEU 42 N 0.37 0.17 -2.34 0.59 6.46 -1.12 -3.21 115.31 116.23 1i4s h LEU 42 Ca 0.10 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1i4s h LEU 42 Cb 0.28 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1i4s h LEU 42 CO -0.00 0.26 -0.00 1.23 -0.62 0.00 0.00 178.44 179.31 1i4s h GLY 43 N 0.08 0.00 0.89 3.75 0.00 -0.11 -1.36 103.07 106.32 1i4s h GLY 43 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1i4s h GLY 43 CO -0.01 0.00 -0.17 -1.80 0.00 0.00 0.00 176.54 174.57 1i4s h ASP 44 N 0.00 0.60 -0.11 0.19 3.58 -1.01 -1.94 116.42 117.72 1i4s h ASP 44 Ca -0.00 -0.43 -0.17 0.00 0.42 0.00 0.00 57.03 56.84 1i4s h ASP 44 Cb 0.00 -0.17 0.01 0.00 1.72 0.00 0.00 39.33 40.89 1i4s h ASP 44 CO 0.00 0.90 -0.61 0.00 -2.88 0.00 0.00 179.24 176.65 1i4s h ALA 45 N 0.72 0.22 0.40 -0.78 0.00 -1.51 -1.95 119.26 116.36 1i4s h ALA 45 Ca 0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1i4s h ALA 45 Cb 0.70 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1i4s h ALA 45 CO 0.05 0.48 -0.49 1.25 0.00 0.00 0.00 179.25 180.54 1i4s h LEU 46 N 0.24 -1.36 -0.71 0.00 7.12 -1.34 -1.00 115.31 118.26 1i4s h LEU 46 Ca -0.05 0.12 -0.03 0.00 0.13 0.00 0.00 57.88 58.05 1i4s h LEU 46 Cb 1.25 0.46 -0.03 0.00 -0.53 0.00 0.00 40.66 41.81 1i4s h LEU 46 CO 0.13 -0.62 0.32 0.58 -0.13 0.00 0.00 178.44 178.71 1i4s h VAL 47 N -0.92 1.24 -0.64 1.05 2.07 -1.44 -0.39 116.25 117.22 1i4s h VAL 47 Ca -0.04 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 66.89 1i4s h VAL 47 Cb 0.83 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1i4s h VAL 47 CO -0.11 0.29 0.20 -1.13 0.02 0.00 0.00 177.57 176.84 1i4s h ASN 48 N 1.00 0.14 0.03 0.57 -1.24 -1.24 0.77 115.58 115.61 1i4s h ASN 48 Ca 0.24 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.35 1i4s h ASN 48 Cb 0.15 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1i4s h ASN 48 CO -0.03 0.07 -0.01 0.15 -1.29 0.00 0.00 177.43 176.32 1i4s h PHE 49 N 0.35 -0.03 -0.78 0.67 3.57 0.02 0.82 116.94 121.56 1i4s h PHE 49 Ca 0.34 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.96 1i4s h PHE 49 Cb 0.49 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.15 1i4s h PHE 49 CO -0.20 0.04 0.38 0.74 -2.23 0.00 0.00 178.31 177.04 1i4s h PHE 50 N -0.10 0.67 -0.03 0.41 0.04 0.18 -0.21 116.94 117.90 1i4s h PHE 50 Ca -0.00 0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.60 1i4s h PHE 50 Cb 0.09 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.07 1i4s h PHE 50 CO -0.06 0.18 -0.74 0.82 -0.60 0.00 0.00 178.31 177.91 1i4s h ILE 51 N 0.59 1.36 -0.33 -0.55 5.03 -0.72 -2.56 117.51 120.34 1i4s h ILE 51 Ca 0.41 -2.09 -0.03 0.00 -0.12 0.00 0.00 64.86 63.03 1i4s h ILE 51 Cb 0.53 2.43 -0.02 0.00 -3.03 0.00 0.00 36.82 36.73 1i4s h ILE 51 CO -0.33 0.63 0.07 0.58 -0.68 0.00 0.00 178.15 178.42 1i4s h VAL 52 N 0.14 1.16 -0.33 1.67 2.07 -0.45 0.06 116.25 120.56 1i4s h VAL 52 Ca -0.09 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 1i4s h VAL 52 Cb 1.42 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1i4s h VAL 52 CO 0.15 0.20 -0.01 -0.78 0.02 0.00 0.00 177.57 177.15 1i4s h ASP 53 N 0.47 0.57 -0.16 0.57 3.58 -1.03 -2.14 116.42 118.27 1i4s h ASP 53 Ca 0.11 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 1i4s h ASP 53 Cb 0.19 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1i4s h ASP 53 CO -0.00 0.75 -0.03 0.25 -2.88 0.00 0.00 179.24 177.32 1i4s h LEU 54 N 0.38 0.30 -0.87 2.28 5.85 -1.12 -3.13 115.31 119.01 1i4s h LEU 54 Ca 0.09 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.54 1i4s h LEU 54 Cb 0.46 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1i4s h LEU 54 CO 0.02 0.59 0.52 0.25 -0.34 0.00 0.00 178.44 179.47 1i4s h LEU 55 N 0.01 0.77 -0.75 2.25 7.12 -0.96 -1.07 115.31 122.69 1i4s h LEU 55 Ca 0.04 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1i4s h LEU 55 Cb 0.45 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1i4s h LEU 55 CO 0.01 0.45 0.00 0.58 -0.13 0.00 0.00 178.44 179.36 1i4s h VAL 56 N 0.88 0.00 0.00 1.05 2.07 -1.37 -1.94 116.25 116.94 1i4s h VAL 56 Ca 0.41 -0.56 -0.26 0.00 0.82 0.00 0.00 66.70 67.10 1i4s h VAL 56 Cb 0.32 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1i4s h VAL 56 CO -0.23 0.00 -1.70 0.00 0.02 0.00 0.00 177.57 175.66 1i4s n GLN 57 N -2.80 0.63 0.00 1.57 6.02 -0.50 -4.54 117.38 117.76 1i4s n GLN 57 Ca 0.02 0.24 0.02 0.00 -0.01 0.00 0.00 57.00 57.27 1i4s n GLN 57 Cb 0.36 -1.76 0.01 0.00 1.02 0.00 0.00 30.24 29.86 1i4s n GLN 57 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1i4s n TYR 58 N -2.96 0.00 -2.43 1.08 4.01 -0.61 -5.02 117.16 111.24 1i4s n TYR 58 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 1i4s n TYR 58 Cb 1.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.99 1i4s n TYR 58 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1i4s s SER 59 N -0.63 7.12 0.47 7.72 0.15 -0.74 -4.91 113.70 122.88 1i4s s SER 59 Ca 0.05 2.09 0.18 0.00 0.70 0.00 0.00 55.95 58.97 1i4s s SER 59 Cb 0.04 -2.59 1.16 0.00 -1.71 0.00 0.00 66.02 62.92 1i4s s SER 59 CO 0.09 -0.39 1.99 1.55 1.20 0.00 0.00 173.24 177.68 1i4s h PRO 60 N 5.99 0.24 -4.14 5.44 0.13 -1.91 -3.40 132.00 134.35 1i4s h PRO 60 Ca -0.43 -0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 1i4s h PRO 60 Cb 1.21 -0.05 -0.30 0.00 0.13 0.00 0.00 31.00 31.99 1i4s h PRO 60 CO 0.77 0.16 -0.75 1.21 -0.23 0.00 0.00 178.00 179.16 1i4s s ASN 61 N -6.29 0.56 -0.37 1.44 2.47 -1.26 -5.05 114.94 106.44 1i4s s ASN 61 Ca -0.07 -0.08 0.08 0.00 0.42 0.00 0.00 52.86 53.21 1i4s s ASN 61 Cb 0.19 -0.12 0.73 0.00 -1.45 0.00 0.00 41.25 40.60 1i4s s ASN 61 CO 0.74 0.02 1.85 0.29 -3.72 0.00 0.00 177.10 176.28 1i4s n LYS 62 N 3.25 3.29 -3.58 0.43 4.01 -1.26 -4.64 118.16 119.66 1i4s n LYS 62 Ca -0.16 -3.08 -0.37 0.00 -0.51 0.00 0.00 58.31 54.19 1i4s n LYS 62 Cb 0.56 -2.21 -0.06 0.00 -0.51 0.00 0.00 35.03 32.81 1i4s n LYS 62 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1i4s s ARG 63 N -3.10 3.81 0.40 1.97 0.52 -1.26 -4.95 118.95 116.33 1i4s s ARG 63 Ca 0.56 0.27 0.13 0.00 -0.52 0.00 0.00 55.73 56.17 1i4s s ARG 63 Cb 0.46 -3.15 0.96 0.00 0.52 0.00 0.00 34.95 33.73 1i4s s ARG 63 CO 0.13 0.67 1.90 1.05 0.02 0.00 0.00 175.30 179.06 1i4s h GLU 64 N 4.46 0.51 -0.05 3.54 -0.00 -1.98 -0.20 114.58 120.86 1i4s h GLU 64 Ca -0.51 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 58.79 1i4s h GLU 64 Cb 1.21 -0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 29.84 1i4s h GLU 64 CO 0.62 0.34 -0.08 0.78 -0.00 0.00 0.00 179.01 180.68 1i4s h GLY 65 N 0.53 0.07 0.96 1.06 0.00 -1.98 -0.80 103.07 102.92 1i4s h GLY 65 Ca 0.41 -0.04 -0.31 0.00 0.00 0.00 0.00 47.33 47.39 1i4s h GLY 65 CO -0.16 0.03 -1.73 -2.75 0.00 0.00 0.00 176.54 171.94 1i4s h PHE 66 N 0.07 0.20 0.07 5.60 3.57 -1.45 -3.41 116.94 121.59 1i4s h PHE 66 Ca 0.02 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1i4s h PHE 66 Cb 0.18 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1i4s h PHE 66 CO 0.00 1.28 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.26 1i4s h LEU 67 N 0.03 -0.08 -0.24 0.59 3.38 -0.79 -3.30 115.31 114.90 1i4s h LEU 67 Ca -0.30 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.21 1i4s h LEU 67 Cb 2.01 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.74 1i4s h LEU 67 CO 0.10 0.50 -0.04 0.28 0.09 0.00 0.00 178.44 179.37 1i4s h SER 68 N -0.70 -0.17 -0.70 -0.43 0.02 -1.38 1.36 113.55 111.55 1i4s h SER 68 Ca -0.01 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1i4s h SER 68 Cb 0.57 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1i4s h SER 68 CO 0.02 -0.05 0.22 1.55 -1.14 0.00 0.00 176.83 177.42 1i4s h PRO 69 N 0.03 1.10 -0.24 3.45 0.13 -1.79 0.33 132.00 135.01 1i4s h PRO 69 Ca 0.12 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 1i4s h PRO 69 Cb 0.17 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1i4s h PRO 69 CO -0.23 0.94 0.09 1.25 -0.23 0.00 0.00 178.00 179.82 1i4s h LEU 70 N 1.06 0.34 -0.46 1.56 6.46 -1.48 -1.33 115.31 121.46 1i4s h LEU 70 Ca 0.23 -0.17 0.09 0.00 -0.12 0.00 0.00 57.88 57.91 1i4s h LEU 70 Cb 0.30 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.06 1i4s h LEU 70 CO -0.01 0.42 -0.01 0.50 -0.62 0.00 0.00 178.44 178.72 1i4s h LYS 71 N 0.24 0.10 -0.77 1.25 3.64 0.22 -0.71 116.57 120.53 1i4s h LYS 71 Ca 0.08 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 1i4s h LYS 71 Cb 0.19 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.88 1i4s h LYS 71 CO -0.01 0.06 0.26 0.00 -2.27 0.00 0.00 179.45 177.50 1i4s h ALA 72 N 1.41 1.06 -0.15 5.00 0.00 0.04 -1.60 119.26 125.01 1i4s h ALA 72 Ca 0.23 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1i4s h ALA 72 Cb 0.34 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1i4s h ALA 72 CO -0.39 -0.29 -0.59 -0.92 0.00 0.00 0.00 179.25 177.07 1i4s h TYR 73 N 0.36 0.88 0.00 0.00 3.20 -0.37 -3.18 116.97 117.86 1i4s h TYR 73 Ca 0.43 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1i4s h TYR 73 Cb 0.72 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1i4s h TYR 73 CO -0.21 1.17 0.00 1.28 -1.64 0.00 0.00 178.16 178.77 1i4s n LEU 74 N -4.11 0.00 -0.17 2.82 4.77 -0.36 -1.51 117.00 118.44 1i4s n LEU 74 Ca -0.07 0.34 0.01 0.00 -0.03 0.00 0.00 56.01 56.27 1i4s n LEU 74 Cb 0.64 -0.34 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1i4s n LEU 74 CO 0.49 -0.16 0.53 2.30 -1.33 0.00 0.00 177.39 179.22 1i4s n ILE 75 N -1.34 0.97 -1.50 -0.08 -5.35 -0.87 -4.79 119.36 106.41 1i4s n ILE 75 Ca 0.07 -0.99 -0.30 0.00 -0.27 0.00 0.00 62.75 61.26 1i4s n ILE 75 Cb 0.15 0.51 0.11 0.00 -1.74 0.00 0.00 39.64 38.67 1i4s n ILE 75 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1i4s s SER 76 N -0.98 4.10 0.27 7.28 1.04 -0.57 -4.85 113.70 119.99 1i4s s SER 76 Ca 0.06 1.25 -0.04 0.00 0.48 0.00 0.00 55.95 57.70 1i4s s SER 76 Cb 0.03 -1.94 0.34 0.00 0.10 0.00 0.00 66.02 64.55 1i4s s SER 76 CO 0.04 -2.21 1.88 -0.08 0.98 0.00 0.00 173.24 173.85 1i4s h GLU 77 N -1.26 1.09 -0.34 4.02 4.81 -1.92 -0.58 114.58 120.40 1i4s h GLU 77 Ca -0.48 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 58.55 1i4s h GLU 77 Cb 1.29 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1i4s h GLU 77 CO 0.59 0.81 -0.05 0.93 -0.73 0.00 0.00 179.01 180.56 1i4s h GLU 78 N 1.09 0.64 -0.08 1.92 3.07 -1.92 -0.49 114.58 118.81 1i4s h GLU 78 Ca 0.27 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.88 1i4s h GLU 78 Cb 0.05 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1i4s h GLU 78 CO -0.04 0.79 -0.04 0.35 -1.40 0.00 0.00 179.01 178.67 1i4s h PHE 79 N 0.43 0.18 -0.54 4.33 3.57 -1.75 -2.11 116.94 121.07 1i4s h PHE 79 Ca 0.09 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.65 1i4s h PHE 79 Cb 0.53 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1i4s h PHE 79 CO 0.05 0.53 0.37 0.74 -2.23 0.00 0.00 178.31 177.76 1i4s h PHE 80 N -0.22 0.28 -0.19 0.41 0.04 -1.07 0.69 116.94 116.88 1i4s h PHE 80 Ca 0.02 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.64 1i4s h PHE 80 Cb 0.49 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1i4s h PHE 80 CO 0.07 0.13 -0.52 -0.91 -0.60 0.00 0.00 178.31 176.48 1i4s h ASN 81 N 0.26 0.59 -0.63 2.17 2.35 -0.87 0.18 115.58 119.63 1i4s h ASN 81 Ca 0.25 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1i4s h ASN 81 Cb 0.64 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1i4s h ASN 81 CO -0.05 1.00 0.26 0.25 -1.65 0.00 0.00 177.43 177.24 1i4s h LEU 82 N 0.42 0.87 -0.18 1.61 7.12 -0.25 -2.59 115.31 122.31 1i4s h LEU 82 Ca 0.02 -0.17 -0.23 0.00 0.13 0.00 0.00 57.88 57.63 1i4s h LEU 82 Cb 1.04 -0.22 0.01 0.00 -0.53 0.00 0.00 40.66 40.96 1i4s h LEU 82 CO 0.10 0.80 -0.90 -0.07 -0.13 0.00 0.00 178.44 178.23 1i4s h LEU 83 N 0.89 0.64 -1.58 2.25 3.38 -0.87 -3.24 115.31 116.78 1i4s h LEU 83 Ca 0.21 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1i4s h LEU 83 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1i4s h LEU 83 CO -0.02 1.27 -0.14 0.00 0.09 0.00 0.00 178.44 179.65 1i4s h ALA 84 N 0.69 1.66 -0.66 1.53 0.00 -0.53 -3.08 119.26 118.87 1i4s h ALA 84 Ca -0.08 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.79 1i4s h ALA 84 Cb 1.53 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 1i4s h ALA 84 CO 0.16 0.26 -0.29 1.96 0.00 0.00 0.00 179.25 181.34 1i4s h GLN 85 N 0.09 -0.09 -0.99 0.00 4.20 -1.49 1.15 115.11 117.98 1i4s h GLN 85 Ca 0.02 0.01 0.27 0.00 0.06 0.00 0.00 58.65 59.01 1i4s h GLN 85 Cb 0.31 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 1i4s h GLN 85 CO 0.02 -0.06 0.69 0.87 -0.67 0.00 0.00 178.83 179.68 1i4s h LYS 86 N -0.10 0.12 0.00 1.46 1.79 -1.71 0.40 116.57 118.53 1i4s h LYS 86 Ca 0.28 -0.01 -0.29 0.00 -2.18 0.00 0.00 60.65 58.45 1i4s h LYS 86 Cb 0.55 -0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.12 1i4s h LYS 86 CO -0.72 0.08 -1.95 1.28 -1.08 0.00 0.00 179.45 177.06 1i4s n LEU 87 N -4.34 0.49 -3.54 2.94 4.77 0.67 -4.97 117.00 113.03 1i4s n LEU 87 Ca 0.21 0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 1i4s n LEU 87 Cb 0.98 0.28 0.07 0.00 -2.33 0.00 0.00 43.42 42.42 1i4s n LEU 87 CO 0.36 0.38 0.07 -1.84 -1.33 0.00 0.00 177.39 175.03 1i4s n GLU 88 N -2.87 -6.24 -0.33 3.23 0.28 0.36 -4.89 120.64 110.18 1i4s n GLU 88 Ca -0.22 0.78 0.36 0.00 -0.16 0.00 0.00 57.16 57.92 1i4s n GLU 88 Cb 1.04 -5.67 0.70 0.00 1.43 0.00 0.00 31.44 28.94 1i4s n GLU 88 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1i4s h LEU 89 N -1.97 0.00 -0.21 -1.84 3.38 -1.84 -1.80 115.31 111.03 1i4s h LEU 89 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1i4s h LEU 89 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1i4s h LEU 89 CO 0.53 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.06 1i4s n HIS 90 N -3.82 0.14 0.27 1.13 1.44 -1.26 -0.74 115.22 112.38 1i4s n HIS 90 Ca 0.27 0.07 0.12 0.00 -2.01 0.00 0.00 57.72 56.16 1i4s n HIS 90 Cb 1.41 -0.60 0.05 0.00 0.12 0.00 0.00 29.99 30.97 1i4s n HIS 90 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1i4s h LYS 91 N 0.00 0.00 -0.00 -1.40 6.56 -1.69 -3.38 116.57 116.66 1i4s h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1i4s h LYS 91 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1i4s h LYS 91 CO 0.00 0.00 -0.11 1.19 -2.06 0.00 0.00 179.45 178.47 1i4s n PHE 92 N -2.48 0.00 -2.59 -1.35 3.01 0.08 -4.41 117.46 109.72 1i4s n PHE 92 Ca 0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 1i4s n PHE 92 Cb 0.51 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.93 1i4s n PHE 92 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1i4s s ILE 93 N -0.95 3.77 -0.29 4.37 1.01 -0.87 -4.88 121.20 123.35 1i4s s ILE 93 Ca 0.03 1.55 -0.06 0.00 0.00 0.00 0.00 60.65 62.17 1i4s s ILE 93 Cb 0.03 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1i4s s ILE 93 CO 0.11 0.20 0.06 -0.13 0.00 0.00 0.00 174.94 175.19 1i4s s ARG 94 N -1.94 3.05 0.11 2.79 0.52 0.38 -5.01 118.95 118.85 1i4s s ARG 94 Ca 0.50 -0.88 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1i4s s ARG 94 Cb -0.25 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 1i4s s ARG 94 CO 0.32 -0.44 0.01 -1.50 0.02 0.00 0.00 175.30 173.70 1i4s s ILE 95 N 1.48 0.31 0.00 1.52 2.07 -1.26 -0.76 121.20 124.55 1i4s s ILE 95 Ca 0.02 -1.90 0.00 0.00 -1.41 0.00 0.00 60.65 57.36 1i4s s ILE 95 Cb -0.17 -1.87 0.00 0.00 0.13 0.00 0.00 42.46 40.55 1i4s s ILE 95 CO 0.02 -0.66 0.00 1.17 -1.91 0.00 0.00 174.94 173.55 1i4s n LYS 96 N -0.06 0.00 -1.72 3.50 4.81 -1.26 -4.74 118.16 118.70 1i4s n LYS 96 Ca -0.09 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.93 1i4s n LYS 96 Cb 0.63 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.65 1i4s n LYS 96 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1i4s s ARG 97 N 0.22 3.96 0.00 1.64 3.00 -1.26 -4.67 118.95 121.83 1i4s s ARG 97 Ca 0.00 2.43 0.00 0.00 0.00 0.00 0.00 55.73 58.16 1i4s s ARG 97 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 34.95 30.77 1i4s s ARG 97 CO 0.00 -1.16 0.57 0.41 0.00 0.00 0.00 175.30 175.12 1i4s n GLY 98 N 4.72 0.00 2.53 -3.53 0.00 -1.26 -4.58 105.19 103.07 1i4s n GLY 98 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1i4s n GLY 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i4s n LYS 99 N 3.33 0.92 -0.03 1.61 4.81 -1.26 -5.01 118.16 122.52 1i4s n LYS 99 Ca 0.00 -2.42 -0.16 0.00 -0.87 0.00 0.00 58.31 54.86 1i4s n LYS 99 Cb 0.28 -1.32 -0.07 0.00 0.02 0.00 0.00 35.03 33.94 1i4s n LYS 99 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1i4s h ILE 100 N 2.37 1.32 -2.59 3.15 -0.00 -1.96 -3.48 117.51 116.31 1i4s h ILE 100 Ca -0.04 -1.86 0.25 0.00 -0.00 0.00 0.00 64.86 63.22 1i4s h ILE 100 Cb 1.03 2.02 -0.10 0.00 -0.00 0.00 0.00 36.82 39.77 1i4s h ILE 100 CO 0.31 0.58 -0.60 0.59 -0.00 0.00 0.00 178.15 179.03 1i4s n ASN 101 N -4.09 -5.82 -0.01 2.19 5.03 -1.26 -3.88 115.26 107.41 1i4s n ASN 101 Ca -0.07 0.68 -0.04 0.00 0.87 0.00 0.00 54.58 56.02 1i4s n ASN 101 Cb 0.66 -3.63 -0.12 0.00 -1.02 0.00 0.00 39.78 35.67 1i4s n ASN 101 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1i4s n GLU 102 N -3.52 0.64 0.16 3.52 1.02 -1.26 -3.54 120.64 117.65 1i4s n GLU 102 Ca -0.02 0.17 0.01 0.00 -0.02 0.00 0.00 57.16 57.30 1i4s n GLU 102 Cb 0.62 -1.73 0.31 0.00 -0.02 0.00 0.00 31.44 30.62 1i4s n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i4s h THR 103 N 0.00 1.30 -0.05 2.62 1.03 -1.93 -2.67 112.91 113.20 1i4s h THR 103 Ca -0.27 -1.43 -0.01 0.00 -0.01 0.00 0.00 66.41 64.69 1i4s h THR 103 Cb 1.80 1.75 -0.00 0.00 -1.07 0.00 0.00 68.15 70.63 1i4s h THR 103 CO 0.05 0.41 -0.01 0.40 -0.01 0.00 0.00 175.52 176.36 1i4s h ILE 104 N 0.04 1.28 -1.01 0.00 2.04 -1.67 -1.20 117.51 117.00 1i4s h ILE 104 Ca 0.00 -0.88 0.23 0.00 1.00 0.00 0.00 64.86 65.21 1i4s h ILE 104 Cb 0.74 1.77 -0.11 0.00 -0.74 0.00 0.00 36.82 38.48 1i4s h ILE 104 CO 0.06 0.24 0.62 0.40 0.00 0.00 0.00 178.15 179.46 1i4s h ILE 105 N -0.23 0.60 -0.45 -0.67 2.04 -1.59 0.35 117.51 117.56 1i4s h ILE 105 Ca 0.01 -0.21 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1i4s h ILE 105 Cb 0.39 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 1i4s h ILE 105 CO 0.00 0.11 -0.14 1.23 0.00 0.00 0.00 178.15 179.36 1i4s h GLY 106 N 0.60 0.91 0.91 5.37 0.00 -1.28 0.50 103.07 110.07 1i4s h GLY 106 Ca 0.60 -0.72 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1i4s h GLY 106 CO -0.39 0.66 -0.13 -0.55 0.00 0.00 0.00 176.54 176.13 1i4s h ASP 107 N 0.75 -0.33 -0.70 0.19 3.32 0.87 -1.02 116.42 119.50 1i4s h ASP 107 Ca 0.12 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1i4s h ASP 107 Cb 0.64 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 1i4s h ASP 107 CO 0.05 -0.21 0.30 0.58 -1.72 0.00 0.00 179.24 178.24 1i4s h VAL 108 N -0.32 1.24 -0.67 -1.35 2.07 -1.07 0.15 116.25 116.29 1i4s h VAL 108 Ca -0.01 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1i4s h VAL 108 Cb 0.28 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1i4s h VAL 108 CO 0.01 0.29 0.44 0.15 0.02 0.00 0.00 177.57 178.48 1i4s h PHE 109 N 0.99 0.84 -0.43 1.57 3.57 -0.73 0.53 116.94 123.27 1i4s h PHE 109 Ca 0.24 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.65 1i4s h PHE 109 Cb 0.17 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1i4s h PHE 109 CO 0.01 0.53 -0.13 0.93 -2.23 0.00 0.00 178.31 177.42 1i4s h GLU 110 N 0.91 0.85 -0.71 1.11 5.08 -0.61 -3.00 114.58 118.21 1i4s h GLU 110 Ca 0.25 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1i4s h GLU 110 Cb -0.10 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1i4s h GLU 110 CO -0.05 0.98 0.32 0.00 -1.00 0.00 0.00 179.01 179.26 1i4s h ALA 111 N 0.85 0.92 -0.70 3.43 0.00 -0.20 -2.62 119.26 120.93 1i4s h ALA 111 Ca 0.11 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1i4s h ALA 111 Cb 0.68 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1i4s h ALA 111 CO 0.05 0.50 0.27 1.25 0.00 0.00 0.00 179.25 181.31 1i4s h LEU 112 N 1.00 0.24 -0.46 0.00 5.85 0.10 0.81 115.31 122.85 1i4s h LEU 112 Ca 0.24 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.89 1i4s h LEU 112 Cb 0.15 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1i4s h LEU 112 CO -0.03 0.11 -0.69 -0.50 -0.34 0.00 0.00 178.44 176.99 1i4s h TRP 113 N 0.42 0.49 -0.32 1.25 4.06 -1.36 -0.02 115.95 120.47 1i4s h TRP 113 Ca 0.38 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 1i4s h TRP 113 Cb 0.54 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 1i4s h TRP 113 CO -0.17 0.94 0.16 0.00 -3.56 0.00 0.00 178.44 175.81 1i4s h ALA 114 N 1.00 1.68 -0.17 1.49 0.00 -1.05 -1.16 119.26 121.04 1i4s h ALA 114 Ca -0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1i4s h ALA 114 Cb 1.25 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1i4s h ALA 114 CO 0.12 0.27 -0.71 0.00 0.00 0.00 0.00 179.25 178.93 1i4s h ALA 115 N 1.73 0.32 -0.57 0.00 0.00 0.09 -2.28 119.26 118.55 1i4s h ALA 115 Ca 0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1i4s h ALA 115 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1i4s h ALA 115 CO -0.02 0.65 0.21 0.28 0.00 0.00 0.00 179.25 180.37 1i4s h VAL 116 N 0.52 1.23 -0.00 0.00 2.07 -0.78 -0.37 116.25 118.93 1i4s h VAL 116 Ca -0.04 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1i4s h VAL 116 Cb 1.34 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1i4s h VAL 116 CO 0.15 0.28 -0.30 0.22 0.02 0.00 0.00 177.57 177.94 1i4s h TYR 117 N 0.80 -0.83 -0.15 1.57 3.20 -1.20 -0.32 116.97 120.04 1i4s h TYR 117 Ca 0.19 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 1i4s h TYR 117 Cb 0.23 0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1i4s h TYR 117 CO 0.01 -0.40 -0.12 0.82 -1.64 0.00 0.00 178.16 176.84 1i4s h ILE 118 N -0.45 1.34 0.00 1.81 2.04 -1.32 0.23 117.51 121.15 1i4s h ILE 118 Ca 0.06 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1i4s h ILE 118 Cb 0.54 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1i4s h ILE 118 CO -0.26 0.37 0.00 -0.67 0.00 0.00 0.00 178.15 177.59 1i4s n ASP 119 N -4.58 0.53 -0.23 1.72 -0.08 -0.16 -1.10 116.55 112.65 1i4s n ASP 119 Ca -0.06 0.71 0.13 0.00 -1.51 0.00 0.00 54.79 54.06 1i4s n ASP 119 Cb 0.34 -0.79 0.38 0.00 2.34 0.00 0.00 41.12 43.39 1i4s n ASP 119 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1i4s n SER 120 N -2.17 0.97 -0.07 1.67 3.41 -0.14 -4.62 113.62 112.67 1i4s n SER 120 Ca -0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1i4s n SER 120 Cb 0.09 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1i4s n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i4s n GLY 121 N 1.34 1.17 3.86 5.00 0.00 -0.26 -4.10 105.19 112.20 1i4s n GLY 121 Ca 0.12 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1i4s n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4s n ARG 122 N -0.77 -4.97 -3.20 1.61 1.74 0.76 -4.93 116.66 106.90 1i4s n ARG 122 Ca 0.00 0.57 -0.44 0.00 -0.77 0.00 0.00 57.85 57.21 1i4s n ARG 122 Cb 0.23 -5.26 -0.06 0.00 -1.02 0.00 0.00 32.46 26.35 1i4s n ARG 122 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1i4s s ASP 123 N -3.79 6.20 0.16 0.55 -1.08 -1.22 -4.93 116.67 112.55 1i4s s ASP 123 Ca 0.37 -1.10 0.01 0.00 -0.52 0.00 0.00 52.55 51.31 1i4s s ASP 123 Cb -0.18 -2.27 -0.03 0.00 -1.46 0.00 0.00 42.92 38.98 1i4s s ASP 123 CO 0.83 -0.87 1.36 0.00 0.52 0.00 0.00 175.17 177.01 1i4s h ALA 124 N 8.97 0.48 0.34 3.66 0.00 -1.91 -2.60 119.26 128.20 1i4s h ALA 124 Ca -0.28 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 53.89 1i4s h ALA 124 Cb 1.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1i4s h ALA 124 CO 0.97 0.90 -0.16 -0.91 0.00 0.00 0.00 179.25 180.05 1i4s h ASN 125 N 0.13 -0.39 -0.18 0.00 2.35 -1.98 1.06 115.58 116.57 1i4s h ASN 125 Ca -0.05 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1i4s h ASN 125 Cb 1.53 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.95 1i4s h ASN 125 CO 0.14 -0.27 -0.12 0.15 -1.65 0.00 0.00 177.43 175.67 1i4s h PHE 126 N -0.47 -0.30 -0.70 1.19 3.57 -1.99 0.25 116.94 118.50 1i4s h PHE 126 Ca -0.05 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1i4s h PHE 126 Cb 0.36 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1i4s h PHE 126 CO -0.05 -0.19 0.18 1.15 -2.23 0.00 0.00 178.31 177.17 1i4s h THR 127 N -0.12 1.26 0.24 4.41 2.02 -1.32 0.27 112.91 119.66 1i4s h THR 127 Ca 0.11 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1i4s h THR 127 Cb 0.28 0.53 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1i4s h THR 127 CO -0.26 0.37 -0.14 -0.09 0.37 0.00 0.00 175.52 175.76 1i4s h ARG 128 N 1.05 -0.35 0.00 6.66 2.43 0.19 -0.96 114.38 123.40 1i4s h ARG 128 Ca 0.22 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1i4s h ARG 128 Cb 0.36 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1i4s h ARG 128 CO 0.00 -0.23 -0.17 0.93 -1.51 0.00 0.00 179.97 178.99 1i4s h GLU 129 N -0.36 0.00 -0.28 0.20 4.39 -0.20 -1.17 114.58 117.15 1i4s h GLU 129 Ca -0.02 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 1i4s h GLU 129 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1i4s h GLU 129 CO 0.03 0.17 -0.55 1.25 -1.16 0.00 0.00 179.01 178.74 1i4s h LEU 130 N 0.00 0.97 -1.24 1.33 6.46 -0.10 -1.80 115.31 120.92 1i4s h LEU 130 Ca -0.00 -0.54 0.02 0.00 -0.12 0.00 0.00 57.88 57.24 1i4s h LEU 130 Cb 0.32 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 1i4s h LEU 130 CO 0.02 1.33 0.52 0.15 -0.62 0.00 0.00 178.44 179.84 1i4s h PHE 131 N 0.65 0.96 -0.20 1.25 3.57 -0.54 -2.86 116.94 119.77 1i4s h PHE 131 Ca 0.01 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 1i4s h PHE 131 Cb 1.17 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1i4s h PHE 131 CO 0.08 0.58 -0.57 1.88 -2.23 0.00 0.00 178.31 178.04 1i4s h TYR 132 N 1.01 0.80 -0.08 0.41 0.05 -0.97 -0.75 116.97 117.44 1i4s h TYR 132 Ca 0.30 -0.29 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1i4s h TYR 132 Cb -0.02 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1i4s h TYR 132 CO -0.00 1.05 -0.23 -0.22 -1.05 0.00 0.00 178.16 177.71 1i4s h LYS 133 N 0.48 0.13 0.06 4.88 3.64 -1.14 -0.99 116.57 123.64 1i4s h LYS 133 Ca 0.01 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.03 1i4s h LYS 133 Cb 1.13 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1i4s h LYS 133 CO 0.11 0.37 -1.76 -0.07 -2.27 0.00 0.00 179.45 175.83 1i4s h LEU 134 N 0.12 0.20 -0.26 5.20 3.38 -1.29 -3.44 115.31 119.23 1i4s h LEU 134 Ca 0.02 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1i4s h LEU 134 Cb 0.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i4s h LEU 134 CO 0.03 1.36 0.00 0.49 0.09 0.00 0.00 178.44 180.41 1i4s n PHE 135 N -3.26 0.00 -0.24 1.13 3.72 -0.31 -4.73 117.46 113.77 1i4s n PHE 135 Ca -0.21 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.20 1i4s n PHE 135 Cb 1.05 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.73 1i4s n PHE 135 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1i4s h LYS 136 N 0.00 0.56 -0.08 -1.08 3.64 -1.31 -1.16 116.57 117.14 1i4s h LYS 136 Ca 0.00 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1i4s h LYS 136 Cb 0.05 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.68 1i4s h LYS 136 CO 0.00 0.37 -0.46 0.93 -2.27 0.00 0.00 179.45 178.02 1i4s h GLU 137 N 0.57 -0.54 -0.09 1.90 5.08 -1.85 0.56 114.58 120.21 1i4s h GLU 137 Ca 0.35 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1i4s h GLU 137 Cb 0.40 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1i4s h GLU 137 CO -0.29 -0.36 0.00 -0.44 -1.00 0.00 0.00 179.01 176.93 1i4s h ASP 138 N -0.56 0.11 -0.04 1.42 3.32 -1.72 -2.36 116.42 116.59 1i4s h ASP 138 Ca 0.05 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.86 1i4s h ASP 138 Cb 0.66 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.20 1i4s h ASP 138 CO -0.38 0.14 -0.90 0.40 -1.72 0.00 0.00 179.24 176.78 1i4s h ILE 139 N 0.13 1.30 -0.44 0.35 2.04 -0.50 -2.32 117.51 118.06 1i4s h ILE 139 Ca 0.03 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.69 1i4s h ILE 139 Cb 0.09 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1i4s h ILE 139 CO 0.00 0.66 -0.02 -0.07 0.00 0.00 0.00 178.15 178.72 1i4s h LEU 140 N 0.35 0.70 -0.11 1.44 3.38 -0.59 -0.33 115.31 120.16 1i4s h LEU 140 Ca -0.10 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1i4s h LEU 140 Cb 1.55 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1i4s h LEU 140 CO 0.18 0.79 0.05 -1.28 0.09 0.00 0.00 178.44 178.27 1i4s h SER 141 N 0.68 0.14 -0.62 -0.43 0.87 -1.47 0.68 113.55 113.40 1i4s h SER 141 Ca 0.13 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1i4s h SER 141 Cb 0.45 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1i4s h SER 141 CO 0.02 0.22 0.21 0.00 -0.53 0.00 0.00 176.83 176.75 1i4s h ALA 142 N 0.93 1.14 -0.78 6.23 0.00 -1.05 -0.33 119.26 125.40 1i4s h ALA 142 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1i4s h ALA 142 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1i4s h ALA 142 CO -0.00 0.60 0.38 0.82 0.00 0.00 0.00 179.25 181.04 1i4s h ILE 143 N 0.96 1.25 -0.01 0.00 2.04 -0.66 -0.76 117.51 120.32 1i4s h ILE 143 Ca 0.21 -0.69 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1i4s h ILE 143 Cb 0.26 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1i4s h ILE 143 CO -0.01 0.29 -0.32 0.11 0.00 0.00 0.00 178.15 178.23 1i4s h LYS 144 N 1.10 -0.45 0.00 2.37 1.79 0.13 -2.29 116.57 119.22 1i4s h LYS 144 Ca 0.27 0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1i4s h LYS 144 Cb 0.12 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1i4s h LYS 144 CO -0.03 -0.30 -0.01 0.93 -1.08 0.00 0.00 179.45 178.96 1i4s h GLU 145 N -0.46 0.00 0.00 3.15 5.08 -0.55 -3.49 114.58 118.31 1i4s h GLU 145 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1i4s h GLU 145 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1i4s h GLU 145 CO -0.27 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.16 1i4s n GLY 146 N -0.66 0.27 1.48 -3.84 0.00 -0.34 -5.09 105.19 97.01 1i4s n GLY 146 Ca -0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1i4s n GLY 146 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19