#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5j h PHE 14 N 0.00 0.33 0.42 4.78 3.04 -2.07 -3.24 116.94 120.21 1i5j h PHE 14 Ca 0.00 -0.24 -0.02 0.00 3.98 0.00 0.00 57.97 61.69 1i5j h PHE 14 Cb 0.00 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1i5j h PHE 14 CO 0.00 1.30 -0.20 -0.07 -2.02 0.00 0.00 178.31 177.32 1i5j h LEU 15 N -0.57 -0.48 -1.93 0.59 3.38 -2.06 -3.22 115.31 111.01 1i5j h LEU 15 Ca -0.16 0.02 0.30 0.00 0.09 0.00 0.00 57.88 58.13 1i5j h LEU 15 Cb 1.48 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 1i5j h LEU 15 CO 0.06 -0.13 0.81 0.74 0.09 0.00 0.00 178.44 180.01 1i5j h THR 16 N -1.00 0.38 0.91 0.22 2.02 -2.00 -1.41 112.91 112.03 1i5j h THR 16 Ca -0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1i5j h THR 16 Cb 0.44 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1i5j h THR 16 CO 0.10 0.00 -0.44 -0.61 0.37 0.00 0.00 175.52 174.94 1i5j h GLN 17 N 0.00 -1.18 -0.70 6.66 4.15 -1.58 -0.06 115.11 122.40 1i5j h GLN 17 Ca 0.50 0.08 0.11 0.00 0.77 0.00 0.00 58.65 60.11 1i5j h GLN 17 Cb 2.11 0.27 -0.05 0.00 0.21 0.00 0.00 27.48 30.02 1i5j h GLN 17 CO -0.01 -0.79 0.46 0.28 -1.93 0.00 0.00 178.83 176.85 1i5j h VAL 18 N -1.23 0.89 0.84 2.39 2.07 -1.32 0.57 116.25 120.46 1i5j h VAL 18 Ca -0.13 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1i5j h VAL 18 Cb 0.94 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1i5j h VAL 18 CO 0.21 0.09 -0.41 0.11 0.02 0.00 0.00 177.57 177.59 1i5j h LYS 19 N 0.51 -1.09 0.00 1.57 1.57 -1.17 0.40 116.57 118.36 1i5j h LYS 19 Ca 0.33 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1i5j h LYS 19 Cb 0.59 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1i5j h LYS 19 CO -0.11 -0.73 -0.00 0.93 -0.57 0.00 0.00 179.45 178.97 1i5j h GLU 20 N -1.26 0.00 0.02 3.15 4.39 -0.62 0.84 114.58 121.10 1i5j h GLU 20 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1i5j h GLU 20 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1i5j h GLU 20 CO 0.19 0.00 -0.01 1.03 -1.16 0.00 0.00 179.01 179.06 1i5j h SER 21 N 0.00 -0.02 -0.16 1.42 0.87 -0.41 -2.61 113.55 112.64 1i5j h SER 21 Ca -0.00 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 1i5j h SER 21 Cb 0.02 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1i5j h SER 21 CO 0.00 0.62 0.02 0.17 -0.53 0.00 0.00 176.83 177.11 1i5j h LEU 22 N -1.00 0.35 -0.51 2.23 8.10 0.11 -1.88 115.31 122.72 1i5j h LEU 22 Ca -0.00 -0.05 -0.13 0.00 0.11 0.00 0.00 57.88 57.80 1i5j h LEU 22 Cb 0.31 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1i5j h LEU 22 CO 0.00 0.40 -0.23 -1.28 -4.11 0.00 0.00 178.44 173.23 1i5j h SER 23 N 0.38 1.00 0.12 0.17 0.87 -0.96 -2.82 113.55 112.31 1i5j h SER 23 Ca 0.09 -0.39 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 1i5j h SER 23 Cb 0.23 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1i5j h SER 23 CO 0.00 1.18 -0.26 0.28 -0.53 0.00 0.00 176.83 177.50 1i5j h SER 24 N 0.83 0.23 -0.92 6.23 0.02 -1.00 0.78 113.55 119.73 1i5j h SER 24 Ca 0.10 -0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1i5j h SER 24 Cb 0.81 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.22 1i5j h SER 24 CO 0.07 0.50 0.59 0.22 -1.14 0.00 0.00 176.83 177.07 1i5j h TYR 25 N 0.21 0.97 0.00 3.45 3.20 -1.10 -1.42 116.97 122.28 1i5j h TYR 25 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1i5j h TYR 25 Cb 0.58 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1i5j h TYR 25 CO 0.01 0.41 -1.56 0.91 -1.64 0.00 0.00 178.16 176.29 1i5j n TRP 26 N -4.56 0.00 -0.15 -3.82 7.02 -0.94 -4.34 117.44 110.64 1i5j n TRP 26 Ca 0.17 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.63 1i5j n TRP 26 Cb 0.36 -0.29 0.21 0.00 -2.42 0.00 0.00 31.31 29.17 1i5j n TRP 26 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1i5j h GLU 27 N 0.00 0.88 -0.57 -0.99 4.57 0.17 -1.44 114.58 117.19 1i5j h GLU 27 Ca 0.00 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 1i5j h GLU 27 Cb 0.77 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1i5j h GLU 27 CO 0.00 0.72 0.14 1.03 -1.18 0.00 0.00 179.01 179.72 1i5j h SER 28 N 0.86 0.86 -0.50 1.04 0.87 -1.66 0.59 113.55 115.63 1i5j h SER 28 Ca 0.20 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1i5j h SER 28 Cb 0.17 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 1i5j h SER 28 CO -0.02 0.87 0.23 0.00 -0.53 0.00 0.00 176.83 177.38 1i5j h ALA 29 N 1.02 1.39 0.00 6.23 0.00 -1.67 0.98 119.26 127.22 1i5j h ALA 29 Ca 0.18 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1i5j h ALA 29 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1i5j h ALA 29 CO 0.00 0.47 -0.40 -0.22 0.00 0.00 0.00 179.25 179.10 1i5j h LYS 30 N 0.76 0.00 0.35 0.00 3.64 -0.56 -2.09 116.57 118.68 1i5j h LYS 30 Ca 0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1i5j h LYS 30 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1i5j h LYS 30 CO -0.02 0.40 -0.17 1.15 -2.27 0.00 0.00 179.45 178.54 1i5j h THR 31 N 0.00 0.00 -0.20 1.00 2.02 0.21 0.57 112.91 116.52 1i5j h THR 31 Ca -0.00 -0.59 0.05 0.00 0.77 0.00 0.00 66.41 66.63 1i5j h THR 31 Cb 1.10 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1i5j h THR 31 CO 0.05 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.08 1i5j h ALA 32 N -1.19 2.15 0.04 6.16 0.00 -0.99 -0.26 119.26 125.18 1i5j h ALA 32 Ca -0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.58 1i5j h ALA 32 Cb 0.36 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1i5j h ALA 32 CO 0.08 -0.20 -1.09 0.00 0.00 0.00 0.00 179.25 178.04 1i5j h ALA 33 N 1.90 0.07 -0.63 0.00 0.00 -1.40 -3.20 119.26 116.01 1i5j h ALA 33 Ca 0.09 -0.72 0.12 0.00 0.00 0.00 0.00 54.91 54.40 1i5j h ALA 33 Cb 0.33 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1i5j h ALA 33 CO -0.00 0.66 0.42 1.96 0.00 0.00 0.00 179.25 182.29 1i5j h GLN 34 N 0.32 0.34 0.04 0.00 4.20 0.19 -0.48 115.11 119.73 1i5j h GLN 34 Ca -0.15 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1i5j h GLN 34 Cb 1.76 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.46 1i5j h GLN 34 CO 0.21 0.22 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.56 1i5j h ASN 35 N 0.35 -0.20 0.52 1.46 -0.73 -1.37 1.29 115.58 116.90 1i5j h ASN 35 Ca 0.30 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.43 1i5j h ASN 35 Cb 0.69 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.34 1i5j h ASN 35 CO -0.08 -0.08 -0.26 0.25 -0.37 0.00 0.00 177.43 176.89 1i5j h LEU 36 N -0.12 0.00 -0.52 0.34 5.85 -1.66 0.41 115.31 119.61 1i5j h LEU 36 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1i5j h LEU 36 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1i5j h LEU 36 CO -0.02 0.26 -0.29 -1.22 -0.34 0.00 0.00 178.44 176.83 1i5j n TYR 37 N -3.74 0.00 0.19 1.25 4.02 -0.20 -4.31 117.16 114.36 1i5j n TYR 37 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1i5j n TYR 37 Cb 0.36 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 1i5j n TYR 37 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1i5j n GLU 38 N -0.63 0.00 -0.25 -0.72 1.02 0.44 -4.66 120.64 115.84 1i5j n GLU 38 Ca 0.12 0.00 0.26 0.00 -0.02 0.00 0.00 57.16 57.51 1i5j n GLU 38 Cb 0.36 0.00 0.63 0.00 -0.02 0.00 0.00 31.44 32.41 1i5j n GLU 38 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1i5j h LYS 39 N 0.00 0.18 0.00 3.49 1.79 0.66 0.27 116.57 122.96 1i5j h LYS 39 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1i5j h LYS 39 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1i5j h LYS 39 CO 0.00 0.12 -1.32 2.41 -1.08 0.00 0.00 179.45 179.58 1i5j n THR 40 N -4.39 0.02 0.04 -0.16 -1.04 0.60 -2.93 114.28 106.42 1i5j n THR 40 Ca 0.21 -0.18 -0.13 0.00 -2.04 0.00 0.00 64.05 61.91 1i5j n THR 40 Cb 0.92 0.59 -0.02 0.00 -1.82 0.00 0.00 70.33 70.01 1i5j n THR 40 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1i5j h TYR 41 N 0.00 0.68 0.00 -1.42 5.03 -0.69 -3.42 116.97 117.15 1i5j h TYR 41 Ca 0.00 -0.32 0.00 0.00 2.58 0.00 0.00 58.73 60.99 1i5j h TYR 41 Cb 0.68 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1i5j h TYR 41 CO 0.00 1.11 0.00 1.28 -1.32 0.00 0.00 178.16 179.23 1i5j n LEU 42 N -3.83 0.01 -2.97 2.82 4.77 -0.83 -4.89 117.00 112.09 1i5j n LEU 42 Ca -0.06 0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.75 1i5j n LEU 42 Cb 0.76 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.82 1i5j n LEU 42 CO 0.50 -0.51 2.07 -0.81 -1.33 0.00 0.00 177.39 177.31 1i5j n PRO 43 N -2.54 1.83 0.00 3.23 -0.04 -1.24 -3.79 135.00 132.46 1i5j n PRO 43 Ca 0.00 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1i5j n PRO 43 Cb 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1i5j n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i5j n ALA 44 N 3.90 1.85 0.01 0.55 0.00 -1.15 -4.62 120.51 121.06 1i5j n ALA 44 Ca 0.39 -0.67 0.23 0.00 0.00 0.00 0.00 53.44 53.39 1i5j n ALA 44 Cb 0.21 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.37 1i5j n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1i5j h VAL 45 N 0.47 0.37 0.00 0.00 2.07 -1.90 0.41 116.25 117.67 1i5j h VAL 45 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1i5j h VAL 45 Cb 0.39 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1i5j h VAL 45 CO 0.00 0.00 -0.05 0.44 0.02 0.00 0.00 177.57 177.98 1i5j h ASP 46 N 0.00 0.00 -0.07 0.57 5.19 -1.93 -2.48 116.42 117.70 1i5j h ASP 46 Ca 0.27 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.59 1i5j h ASP 46 Cb 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1i5j h ASP 46 CO -0.00 0.05 -0.30 -0.33 -3.12 0.00 0.00 179.24 175.54 1i5j h GLU 47 N 0.00 0.32 -0.53 3.56 4.39 -0.54 0.45 114.58 122.24 1i5j h GLU 47 Ca -0.00 -0.26 0.08 0.00 0.34 0.00 0.00 59.36 59.52 1i5j h GLU 47 Cb 0.11 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 1i5j h GLU 47 CO 0.01 0.90 0.16 0.87 -1.16 0.00 0.00 179.01 179.78 1i5j h LYS 48 N -0.18 0.31 0.00 2.33 1.57 -1.51 0.47 116.57 119.56 1i5j h LYS 48 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1i5j h LYS 48 Cb 0.95 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1i5j h LYS 48 CO 0.06 0.20 0.00 1.37 -0.57 0.00 0.00 179.45 180.52 1i5j h LEU 49 N 0.32 0.00 -3.00 2.94 8.10 -1.52 -2.99 115.31 119.15 1i5j h LEU 49 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.25 1i5j h LEU 49 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1i5j h LEU 49 CO -0.30 0.00 0.00 -1.14 -4.11 0.00 0.00 178.44 172.89 1i5j n ARG 50 N -2.78 3.41 0.04 0.17 3.00 0.58 -4.31 116.66 116.76 1i5j n ARG 50 Ca 0.04 -2.83 -0.22 0.00 -0.00 0.00 0.00 57.85 54.83 1i5j n ARG 50 Cb 0.43 -1.79 -0.14 0.00 0.00 0.00 0.00 32.46 30.95 1i5j n ARG 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1i5j h ASP 51 N 4.24 0.48 -0.99 6.15 3.32 -0.07 -3.29 116.42 126.26 1i5j h ASP 51 Ca 0.00 -0.89 0.18 0.00 0.02 0.00 0.00 57.03 56.34 1i5j h ASP 51 Cb 1.30 -0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.60 1i5j h ASP 51 CO 0.15 1.66 0.61 0.17 -1.72 0.00 0.00 179.24 180.12 1i5j h LEU 52 N -0.16 0.74 0.75 1.55 8.10 -1.75 0.13 115.31 124.67 1i5j h LEU 52 Ca -0.30 0.08 -0.04 0.00 0.11 0.00 0.00 57.88 57.73 1i5j h LEU 52 Cb 1.88 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 42.05 1i5j h LEU 52 CO 0.11 0.29 -0.36 0.22 -4.11 0.00 0.00 178.44 174.59 1i5j h TYR 53 N 0.73 -0.93 -0.01 0.17 5.03 -1.83 -1.27 116.97 118.86 1i5j h TYR 53 Ca 0.55 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.84 1i5j h TYR 53 Cb 0.89 0.31 0.00 0.00 1.55 0.00 0.00 36.73 39.48 1i5j h TYR 53 CO -0.00 -0.56 0.00 -1.13 -1.32 0.00 0.00 178.16 175.14 1i5j n SER 54 N -5.49 0.81 0.00 -2.11 3.41 -0.78 -2.89 113.62 106.58 1i5j n SER 54 Ca -0.14 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1i5j n SER 54 Cb 0.41 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1i5j n SER 54 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i5j n LYS 55 N -0.11 0.97 -0.44 4.33 3.00 0.40 -3.29 118.16 123.02 1i5j n LYS 55 Ca 0.00 0.00 0.36 0.00 -0.00 0.00 0.00 58.31 58.68 1i5j n LYS 55 Cb 0.20 -0.92 0.67 0.00 0.00 0.00 0.00 35.03 34.98 1i5j n LYS 55 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1i5j h SER 56 N 0.00 0.19 0.00 3.14 0.02 -1.10 -3.33 113.55 112.47 1i5j h SER 56 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1i5j h SER 56 Cb 0.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1i5j h SER 56 CO 0.00 -0.06 0.00 1.07 -1.14 0.00 0.00 176.83 176.70 1i5j n THR 57 N -4.45 0.00 -2.57 -2.27 5.66 -1.26 -4.96 114.28 104.42 1i5j n THR 57 Ca 0.34 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.30 1i5j n THR 57 Cb 1.38 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 70.17 1i5j n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i5j n ALA 58 N 0.00 -0.22 -0.26 1.79 0.00 -1.21 -4.95 120.51 115.66 1i5j n ALA 58 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 1i5j n ALA 58 Cb 0.00 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 18.38 1i5j n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i5j h ALA 59 N 0.15 0.97 0.00 0.00 0.00 -1.70 -3.26 119.26 115.41 1i5j h ALA 59 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i5j h ALA 59 Cb 1.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1i5j h ALA 59 CO 0.08 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 178.21 1i5j n MET 60 N -4.67 0.12 0.14 0.00 2.81 -1.26 -4.74 117.12 109.51 1i5j n MET 60 Ca 0.09 -0.18 0.12 0.00 -1.81 0.00 0.00 57.70 55.92 1i5j n MET 60 Cb 0.12 -0.64 0.20 0.00 -0.71 0.00 0.00 33.22 32.19 1i5j n MET 60 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1i5j h SER 61 N 0.00 0.00 -0.57 7.83 4.64 -1.66 -3.33 113.55 120.45 1i5j h SER 61 Ca 0.00 -0.04 0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1i5j h SER 61 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 1i5j h SER 61 CO 0.00 0.02 0.23 0.00 -0.87 0.00 0.00 176.83 176.21 1i5j h THR 62 N 0.00 0.82 -0.11 2.95 1.03 -1.85 -0.94 112.91 114.81 1i5j h THR 62 Ca 0.00 -0.15 -0.12 0.00 -0.01 0.00 0.00 66.41 66.14 1i5j h THR 62 Cb 0.88 0.36 -0.01 0.00 -1.07 0.00 0.00 68.15 68.31 1i5j h THR 62 CO 0.00 0.08 -0.46 0.22 -0.01 0.00 0.00 175.52 175.35 1i5j h TYR 63 N 0.42 0.32 -0.14 0.00 3.20 -1.90 -2.39 116.97 116.48 1i5j h TYR 63 Ca 0.28 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.10 1i5j h TYR 63 Cb 0.30 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1i5j h TYR 63 CO -0.15 0.68 0.25 1.15 -1.64 0.00 0.00 178.16 178.45 1i5j h THR 64 N 0.22 0.25 0.00 1.81 2.02 -1.31 0.62 112.91 116.51 1i5j h THR 64 Ca 0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1i5j h THR 64 Cb 0.89 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1i5j h THR 64 CO 0.07 0.00 -1.43 0.61 0.37 0.00 0.00 175.52 175.14 1i5j n GLY 65 N -1.32 -1.27 0.03 2.16 0.00 -0.92 -3.98 105.19 99.90 1i5j n GLY 65 Ca 0.01 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1i5j n GLY 65 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i5j n ILE 66 N -2.57 0.16 -0.03 -0.61 2.08 0.18 -4.10 119.36 114.47 1i5j n ILE 66 Ca -0.04 -0.14 -0.14 0.00 0.56 0.00 0.00 62.75 62.99 1i5j n ILE 66 Cb 0.62 0.10 -0.10 0.00 -0.75 0.00 0.00 39.64 39.50 1i5j n ILE 66 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1i5j h PHE 67 N 0.00 0.20 0.00 1.39 3.04 -0.57 -3.15 116.94 117.85 1i5j h PHE 67 Ca 0.00 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1i5j h PHE 67 Cb 0.63 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.11 1i5j h PHE 67 CO 0.00 0.79 0.08 1.15 -2.02 0.00 0.00 178.31 178.31 1i5j h THR 68 N -0.44 0.00 -0.49 4.41 2.02 -1.72 -2.45 112.91 114.24 1i5j h THR 68 Ca -0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.31 1i5j h THR 68 Cb 0.81 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1i5j h THR 68 CO 0.03 0.00 0.54 0.44 0.37 0.00 0.00 175.52 176.90 1i5j h ASP 69 N 0.00 0.00 -0.64 4.18 5.19 -1.72 0.95 116.42 124.39 1i5j h ASP 69 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1i5j h ASP 69 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1i5j h ASP 69 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1i5j n GLN 70 N -3.65 3.86 -0.03 3.56 1.13 -0.92 -3.53 117.38 117.79 1i5j n GLN 70 Ca 0.09 -2.87 -0.08 0.00 -1.94 0.00 0.00 57.00 52.20 1i5j n GLN 70 Cb 0.73 -1.95 -0.03 0.00 0.11 0.00 0.00 30.24 29.11 1i5j n GLN 70 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1i5j n VAL 71 N 1.06 0.80 0.01 5.09 0.31 0.33 -4.19 118.33 121.74 1i5j n VAL 71 Ca 0.26 0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.48 1i5j n VAL 71 Cb 0.93 -1.71 0.02 0.00 -0.91 0.00 0.00 33.84 32.17 1i5j n VAL 71 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i5j h LEU 72 N -0.36 0.66 0.00 7.52 3.38 -1.66 1.28 115.31 126.14 1i5j h LEU 72 Ca -0.17 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1i5j h LEU 72 Cb 0.94 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1i5j h LEU 72 CO -0.10 1.13 0.00 -0.24 0.09 0.00 0.00 178.44 179.31 1i5j n SER 73 N -3.92 0.00 -0.00 -0.43 2.88 -1.23 0.42 113.62 111.33 1i5j n SER 73 Ca -0.04 0.42 0.03 0.00 -1.33 0.00 0.00 58.87 57.95 1i5j n SER 73 Cb 0.66 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.61 1i5j n SER 73 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1i5j n VAL 74 N -1.47 0.00 -0.11 2.46 0.31 -0.95 -3.37 118.33 115.21 1i5j n VAL 74 Ca 0.06 -0.17 -0.15 0.00 -0.01 0.00 0.00 64.34 64.08 1i5j n VAL 74 Cb 0.25 0.49 -0.11 0.00 -0.91 0.00 0.00 33.84 33.55 1i5j n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i5j n LEU 75 N -1.59 2.39 -0.11 7.52 -0.00 0.44 -4.50 117.00 121.14 1i5j n LEU 75 Ca -0.01 -0.10 0.06 0.00 -0.00 0.00 0.00 56.01 55.96 1i5j n LEU 75 Cb 0.13 -0.56 -0.04 0.00 -0.00 0.00 0.00 43.42 42.95 1i5j n LEU 75 CO 0.11 0.80 0.07 1.17 -0.00 0.00 0.00 177.39 179.54 1i5j n LYS 76 N -3.07 2.59 -2.81 1.47 4.81 0.17 -4.99 118.16 116.32 1i5j n LYS 76 Ca -0.38 -0.26 -0.19 0.00 -0.87 0.00 0.00 58.31 56.61 1i5j n LYS 76 Cb 0.96 -1.11 0.02 0.00 0.02 0.00 0.00 35.03 34.93 1i5j n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i5j n GLY 77 N 1.18 -0.34 0.00 3.14 0.00 -0.36 -4.82 105.19 103.99 1i5j n GLY 77 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i5j n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i5j n GLU 78 N -3.40 0.91 -0.92 1.61 -0.58 -1.09 -4.91 120.64 112.26 1i5j n GLU 78 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1i5j n GLU 78 Cb 0.61 -0.38 0.00 0.00 -0.57 0.00 0.00 31.44 31.10 1i5j n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74