#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5s s THR 2 N 0.00 4.15 -0.26 2.61 -4.23 -1.26 -4.92 115.64 111.73 2k5s s THR 2 Ca 0.00 0.70 0.21 0.00 -1.18 0.00 0.00 61.69 61.41 2k5s s THR 2 Cb 0.00 -3.56 0.21 0.00 1.34 0.00 0.00 72.50 70.49 2k5s s THR 2 CO 0.00 -0.91 1.63 1.17 -0.54 0.00 0.00 174.62 175.97 2k5s n LYS 3 N -3.01 0.13 0.05 3.99 4.81 -1.26 -2.79 118.16 120.09 2k5s n LYS 3 Ca 0.07 0.62 -0.13 0.00 -0.87 0.00 0.00 58.31 58.00 2k5s n LYS 3 Cb 0.54 -1.93 -0.06 0.00 0.02 0.00 0.00 35.03 33.60 2k5s n LYS 3 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2k5s h THR 4 N 0.00 0.17 -0.99 3.15 1.35 -1.99 -0.16 112.91 114.44 2k5s h THR 4 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 2k5s h THR 4 Cb 0.02 0.17 -0.10 0.00 -1.73 0.00 0.00 68.15 66.51 2k5s h THR 4 CO 0.00 0.00 0.60 0.44 -0.25 0.00 0.00 175.52 176.31 2k5s h ASP 5 N -0.56 0.81 0.57 5.36 3.32 -1.91 -0.17 116.42 123.85 2k5s h ASP 5 Ca 0.05 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2k5s h ASP 5 Cb 0.64 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2k5s h ASP 5 CO -0.32 0.35 -0.27 1.88 -1.72 0.00 0.00 179.24 179.15 2k5s h TYR 6 N 0.83 -0.71 -0.74 4.55 -1.99 -1.52 -1.30 116.97 116.09 2k5s h TYR 6 Ca 0.54 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.26 2k5s h TYR 6 Cb 0.74 0.24 -0.04 0.00 2.00 0.00 0.00 36.73 39.67 2k5s h TYR 6 CO -0.01 -0.44 0.47 -0.07 -0.00 0.00 0.00 178.16 178.10 2k5s h LEU 7 N -1.03 0.86 0.41 3.88 3.38 -0.92 0.11 115.31 122.01 2k5s h LEU 7 Ca -0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2k5s h LEU 7 Cb 0.59 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k5s h LEU 7 CO 0.13 0.65 -0.20 0.24 0.09 0.00 0.00 178.44 179.35 2k5s h MET 8 N 1.01 -0.53 -0.29 1.13 2.86 -1.09 -2.85 114.93 115.17 2k5s h MET 8 Ca 0.27 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 58.00 2k5s h MET 8 Cb -0.08 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 2k5s h MET 8 CO -0.05 -0.36 -0.08 -0.09 1.06 0.00 0.00 176.91 177.39 2k5s h ARG 9 N -1.12 -0.02 0.00 1.72 2.43 -1.20 -2.18 114.38 114.00 2k5s h ARG 9 Ca -0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2k5s h ARG 9 Cb 0.42 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2k5s h ARG 9 CO 0.09 -0.01 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.45 2k5s h LEU 10 N -0.02 0.00 0.00 3.80 3.38 -0.89 -2.79 115.31 118.79 2k5s h LEU 10 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k5s h LEU 10 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2k5s h LEU 10 CO -0.30 0.03 0.00 -1.14 0.09 0.00 0.00 178.44 177.11 2k5s n ARG 11 N -4.32 0.01 0.00 1.13 3.00 -0.82 -3.37 116.66 112.28 2k5s n ARG 11 Ca -0.03 0.07 0.12 0.00 -0.00 0.00 0.00 57.85 58.01 2k5s n ARG 11 Cb 0.11 -1.50 0.21 0.00 0.00 0.00 0.00 32.46 31.28 2k5s n ARG 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k5s n LYS 12 N -1.49 1.39 -0.38 -0.14 4.01 -1.05 -4.29 118.16 116.20 2k5s n LYS 12 Ca 0.06 -1.02 0.30 0.00 -0.51 0.00 0.00 58.31 57.14 2k5s n LYS 12 Cb 0.29 -1.48 0.60 0.00 -0.51 0.00 0.00 35.03 33.93 2k5s n LYS 12 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k5s n THR 14 N -4.59 0.00 -3.84 0.00 -1.04 -1.26 -4.93 114.28 98.61 2k5s n THR 14 Ca 0.31 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.18 2k5s n THR 14 Cb 1.17 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.53 2k5s n THR 14 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2k5s s THR 15 N -1.68 0.00 0.09 12.58 -4.23 -1.26 -5.06 115.64 116.09 2k5s s THR 15 Ca 0.00 0.11 -0.31 0.00 -1.18 0.00 0.00 61.69 60.30 2k5s s THR 15 Cb 0.00 -0.08 -0.14 0.00 1.34 0.00 0.00 72.50 73.62 2k5s s THR 15 CO 0.00 0.06 1.61 0.40 -0.54 0.00 0.00 174.62 176.15 2k5s h ILE 16 N 5.81 0.27 0.00 2.99 2.04 -1.98 -2.07 117.51 124.57 2k5s h ILE 16 Ca -0.37 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2k5s h ILE 16 Cb 1.16 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2k5s h ILE 16 CO 0.49 0.00 0.13 -2.24 0.00 0.00 0.00 178.15 176.54 2k5s h ASP 17 N -0.76 0.00 -0.03 1.72 2.03 -2.00 -1.72 116.42 115.66 2k5s h ASP 17 Ca -0.03 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.21 2k5s h ASP 17 Cb 0.67 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 2k5s h ASP 17 CO -0.04 0.00 -0.19 0.74 -1.03 0.00 0.00 179.24 178.71 2k5s h THR 18 N 0.00 1.49 -1.62 1.15 2.02 -1.75 -3.19 112.91 111.00 2k5s h THR 18 Ca 0.00 -1.72 0.48 0.00 0.77 0.00 0.00 66.41 65.94 2k5s h THR 18 Cb 0.27 2.51 -0.08 0.00 -1.74 0.00 0.00 68.15 69.11 2k5s h THR 18 CO 0.00 0.47 1.15 0.25 0.37 0.00 0.00 175.52 177.76 2k5s h LEU 19 N -0.40 0.06 0.32 2.58 5.85 -1.17 1.61 115.31 124.16 2k5s h LEU 19 Ca -0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k5s h LEU 19 Cb 0.87 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2k5s h LEU 19 CO 0.04 -0.04 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.62 2k5s h GLU 20 N 0.03 -0.41 -0.63 1.25 4.39 -1.65 -2.30 114.58 115.25 2k5s h GLU 20 Ca 0.81 0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.67 2k5s h GLU 20 Cb 3.10 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 31.74 2k5s h GLU 20 CO -0.10 -0.17 -0.00 -0.09 -1.16 0.00 0.00 179.01 177.48 2k5s h ARG 21 N -0.59 0.11 0.01 2.33 2.43 0.23 -2.43 114.38 116.47 2k5s h ARG 21 Ca -0.04 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k5s h ARG 21 Cb 0.43 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2k5s h ARG 21 CO 0.07 0.07 -0.01 0.28 -1.51 0.00 0.00 179.97 178.88 2k5s h VAL 22 N 0.11 1.30 -0.87 0.20 2.07 -1.51 -3.31 116.25 114.24 2k5s h VAL 22 Ca 0.33 -0.94 0.21 0.00 0.82 0.00 0.00 66.70 67.12 2k5s h VAL 22 Cb 0.54 1.94 -0.16 0.00 -1.52 0.00 0.00 31.29 32.08 2k5s h VAL 22 CO -0.54 0.24 -0.04 0.40 0.02 0.00 0.00 177.57 177.65 2k5s h ILE 23 N -0.42 0.18 -0.29 4.57 2.04 -0.91 1.84 117.51 124.52 2k5s h ILE 23 Ca -0.00 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.93 2k5s h ILE 23 Cb 0.41 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2k5s h ILE 23 CO 0.00 0.01 0.30 -0.08 0.00 0.00 0.00 178.15 178.38 2k5s h GLU 24 N 0.05 0.00 0.28 2.37 4.81 -1.62 -1.86 114.58 118.61 2k5s h GLU 24 Ca 0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 2k5s h GLU 24 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2k5s h GLU 24 CO -0.81 0.00 -0.13 -0.22 -0.73 0.00 0.00 179.01 177.11 2k5s h LYS 25 N 0.00 -0.36 -0.53 1.92 3.64 0.27 -3.23 116.57 118.28 2k5s h LYS 25 Ca 0.14 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.70 2k5s h LYS 25 Cb 0.74 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2k5s h LYS 25 CO -0.00 -0.07 0.48 -0.91 -2.27 0.00 0.00 179.45 176.68 2k5s h ASN 26 N -1.00 0.00 -0.32 4.20 4.21 -0.95 -3.21 115.58 118.51 2k5s h ASN 26 Ca -0.04 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.54 2k5s h ASN 26 Cb 0.45 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.57 2k5s h ASN 26 CO 0.06 0.00 -0.32 0.50 -1.29 0.00 0.00 177.43 176.38 2k5s h LYS 27 N 0.00 -0.28 -0.73 0.81 3.64 -1.38 -1.74 116.57 116.89 2k5s h LYS 27 Ca 0.25 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2k5s h LYS 27 Cb 1.22 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2k5s h LYS 27 CO -0.00 -0.19 0.00 0.66 -2.27 0.00 0.00 179.45 177.65 2k5s n TYR 28 N -5.41 1.08 -0.43 1.91 4.01 -1.21 -4.46 117.16 112.65 2k5s n TYR 28 Ca -0.00 -0.52 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 2k5s n TYR 28 Cb 0.33 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 2k5s n TYR 28 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2k5s n GLU 29 N 1.58 -0.26 -0.02 -0.72 0.28 -1.08 -4.82 120.64 115.60 2k5s n GLU 29 Ca 0.25 -0.25 -0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2k5s n GLU 29 Cb 0.67 -0.74 -0.06 0.00 1.43 0.00 0.00 31.44 32.75 2k5s n GLU 29 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2k5s n LEU 30 N -0.04 0.00 0.00 -1.84 7.94 -0.68 -5.04 117.00 117.35 2k5s n LEU 30 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k5s n LEU 30 Cb 0.11 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.15 2k5s n LEU 30 CO 0.00 0.09 0.00 -1.54 -1.11 0.00 0.00 177.39 174.83 2k5s n SER 31 N -2.03 0.00 -0.01 1.96 3.41 -1.26 -4.81 113.62 110.88 2k5s n SER 31 Ca -0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.54 2k5s n SER 31 Cb 0.49 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2k5s n SER 31 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k5s h ASP 32 N 0.00 -0.03 -0.30 4.04 3.58 -1.95 -3.34 116.42 118.41 2k5s h ASP 32 Ca 0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2k5s h ASP 32 Cb 0.00 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2k5s h ASP 32 CO 0.00 0.22 0.25 -0.78 -2.88 0.00 0.00 179.24 176.05 2k5s h ASP 33 N -0.52 0.00 -0.46 2.28 1.82 -2.01 -0.71 116.42 116.82 2k5s h ASP 33 Ca -0.00 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 2k5s h ASP 33 Cb 0.03 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.99 2k5s h ASP 33 CO 0.01 0.00 0.17 -0.33 -1.61 0.00 0.00 179.24 177.47 2k5s h GLU 34 N 0.00 0.33 -0.23 0.28 5.08 -1.88 -2.07 114.58 116.09 2k5s h GLU 34 Ca 0.14 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2k5s h GLU 34 Cb 0.64 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2k5s h GLU 34 CO -0.00 0.22 0.95 -0.07 -1.00 0.00 0.00 179.01 179.11 2k5s h LEU 35 N 0.34 0.00 -1.28 1.33 -0.00 -1.24 1.32 115.31 115.78 2k5s h LEU 35 Ca 0.22 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 58.13 2k5s h LEU 35 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.83 2k5s h LEU 35 CO -0.22 0.00 0.50 -0.33 -0.00 0.00 0.00 178.44 178.39 2k5s h GLU 36 N 0.00 0.92 0.19 1.13 5.08 -1.57 0.38 114.58 120.71 2k5s h GLU 36 Ca 0.11 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2k5s h GLU 36 Cb 2.01 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 31.03 2k5s h GLU 36 CO -0.00 0.61 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.28 2k5s h LEU 37 N 0.95 -0.75 -1.35 1.33 3.38 0.15 1.82 115.31 120.84 2k5s h LEU 37 Ca 0.30 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2k5s h LEU 37 Cb 0.01 0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2k5s h LEU 37 CO -0.08 -0.38 0.24 0.15 0.09 0.00 0.00 178.44 178.46 2k5s h PHE 38 N -0.53 0.67 0.00 1.13 3.57 -1.23 0.51 116.94 121.06 2k5s h PHE 38 Ca 0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2k5s h PHE 38 Cb 0.52 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 2k5s h PHE 38 CO -0.21 0.49 -0.10 1.88 -2.23 0.00 0.00 178.31 178.14 2k5s h TYR 39 N 0.68 0.00 -0.84 0.41 0.05 0.19 -1.53 116.97 115.93 2k5s h TYR 39 Ca 0.17 0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.07 2k5s h TYR 39 Cb 0.07 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.75 2k5s h TYR 39 CO 0.01 0.43 0.54 1.03 -1.05 0.00 0.00 178.16 179.12 2k5s h SER 40 N -1.00 0.66 0.00 3.88 0.87 0.28 -2.76 113.55 115.48 2k5s h SER 40 Ca -0.02 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2k5s h SER 40 Cb 0.46 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2k5s h SER 40 CO -0.01 0.37 -0.01 0.00 -0.53 0.00 0.00 176.83 176.65 2k5s h ALA 41 N 1.60 0.00 -0.96 6.23 0.00 -0.08 -3.39 119.26 122.65 2k5s h ALA 41 Ca 0.40 -0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.50 2k5s h ALA 41 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2k5s h ALA 41 CO -0.17 0.00 0.63 0.00 0.00 0.00 0.00 179.25 179.72 2k5s h ALA 42 N -0.94 2.18 -0.48 0.00 0.00 -1.25 -2.19 119.26 116.57 2k5s h ALA 42 Ca -0.00 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2k5s h ALA 42 Cb 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2k5s h ALA 42 CO -0.00 -0.51 0.02 0.22 0.00 0.00 0.00 179.25 178.98 2k5s h ASP 43 N 0.43 -0.17 -1.00 0.00 1.82 -1.68 -1.32 116.42 114.51 2k5s h ASP 43 Ca 0.52 0.11 0.36 0.00 -0.39 0.00 0.00 57.03 57.63 2k5s h ASP 43 Cb 1.26 0.19 -0.16 0.00 0.68 0.00 0.00 39.33 41.30 2k5s h ASP 43 CO -0.23 -0.05 0.56 0.45 -1.61 0.00 0.00 179.24 178.36 2k5s h HIS 44 N 0.13 0.89 0.00 0.28 3.86 -1.60 1.77 115.15 120.48 2k5s h HIS 44 Ca 0.24 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2k5s h HIS 44 Cb 0.36 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2k5s h HIS 44 CO -0.29 -0.30 0.00 -2.13 0.86 0.00 0.00 177.93 176.07 2k5s n ARG 45 N -5.14 0.15 -0.03 2.45 3.00 -0.50 -3.64 116.66 112.96 2k5s n ARG 45 Ca 0.34 0.39 -0.12 0.00 -0.00 0.00 0.00 57.85 58.47 2k5s n ARG 45 Cb 1.12 -1.79 -0.10 0.00 0.00 0.00 0.00 32.46 31.68 2k5s n ARG 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2k5s h LEU 46 N 0.00 -0.04 -1.30 6.15 6.46 0.27 -2.94 115.31 123.91 2k5s h LEU 46 Ca 0.00 -0.68 0.03 0.00 -0.12 0.00 0.00 57.88 57.12 2k5s h LEU 46 Cb 0.34 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.23 2k5s h LEU 46 CO 0.00 0.73 0.49 0.00 -0.62 0.00 0.00 178.44 179.05 2k5s h ALA 47 N -0.08 1.56 0.28 1.25 0.00 -1.62 0.72 119.26 121.37 2k5s h ALA 47 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k5s h ALA 47 Cb 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k5s h ALA 47 CO 0.01 0.37 -0.13 1.05 0.00 0.00 0.00 179.25 180.54 2k5s h GLU 48 N 0.92 -0.36 -0.89 0.00 -0.00 -1.70 -2.55 114.58 110.00 2k5s h GLU 48 Ca 0.30 0.02 0.07 0.00 -0.00 0.00 0.00 59.36 59.76 2k5s h GLU 48 Cb 0.05 0.08 -0.06 0.00 -0.00 0.00 0.00 28.75 28.82 2k5s h GLU 48 CO -0.09 -0.13 0.58 -0.07 -0.00 0.00 0.00 179.01 179.30 2k5s h LEU 49 N -0.53 0.85 -1.46 3.06 3.38 -1.09 0.48 115.31 120.01 2k5s h LEU 49 Ca -0.04 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.10 2k5s h LEU 49 Cb 0.39 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2k5s h LEU 49 CO 0.06 0.54 0.55 0.74 0.09 0.00 0.00 178.44 180.42 2k5s h THR 50 N 0.96 0.78 0.00 0.22 2.02 0.84 -3.36 112.91 114.37 2k5s h THR 50 Ca 0.39 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2k5s h THR 50 Cb 0.27 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2k5s h THR 50 CO -0.15 0.09 0.00 1.15 0.37 0.00 0.00 175.52 176.98 2k5s n MET 51 N -4.52 0.00 0.00 6.66 -0.00 -0.50 -5.08 117.12 113.69 2k5s n MET 51 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.86 2k5s n MET 51 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.76 2k5s n MET 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2k5s n ASN 52 N 0.00 0.00 0.00 3.17 6.94 0.04 -5.05 115.26 120.36 2k5s n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2k5s n ASN 52 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2k5s n ASN 52 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2k5s n LYS 53 N 0.00 3.02 -3.79 -3.83 5.02 -1.20 -4.98 118.16 112.40 2k5s n LYS 53 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2k5s n LYS 53 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 2k5s n LYS 53 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k5s s LEU 54 N 0.00 0.80 0.00 -0.35 2.96 -1.26 -4.67 118.68 116.16 2k5s s LEU 54 Ca 0.00 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 2k5s s LEU 54 Cb 0.00 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.15 2k5s s LEU 54 CO 0.00 -0.20 0.00 -1.22 -1.32 0.00 0.00 176.35 173.61 2k5s n TYR 55 N 5.09 0.00 0.00 5.38 4.02 -1.26 -5.02 117.16 125.37 2k5s n TYR 55 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2k5s n TYR 55 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 2k5s n TYR 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2k5s n ASP 56 N 0.00 0.00 0.00 7.72 2.03 -1.26 -5.08 116.55 119.96 2k5s n ASP 56 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k5s n ASP 56 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k5s n ASP 56 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k5s n LYS 57 N 0.00 0.00 -4.05 -0.67 5.02 -1.26 -5.14 118.16 112.06 2k5s n LYS 57 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2k5s n LYS 57 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 2k5s n LYS 57 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k5s s ILE 58 N 0.00 2.45 0.81 -0.18 1.09 -1.26 -5.12 121.20 118.99 2k5s s ILE 58 Ca 0.00 -0.97 -0.14 0.00 -1.10 0.00 0.00 60.65 58.43 2k5s s ILE 58 Cb 0.00 -2.14 0.02 0.00 -1.06 0.00 0.00 42.46 39.28 2k5s s ILE 58 CO 0.00 0.38 0.67 -2.65 -0.10 0.00 0.00 174.94 173.25 2k5s n PRO 59 N 4.64 0.10 0.13 2.79 -0.02 -1.26 -4.83 135.00 136.54 2k5s n PRO 59 Ca -0.19 0.09 0.11 0.00 -2.02 0.00 0.00 63.50 61.49 2k5s n PRO 59 Cb 0.49 -2.00 0.50 0.00 -0.02 0.00 0.00 33.50 32.46 2k5s n PRO 59 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2k5s n PRO 60 N -1.69 0.16 -0.35 0.52 -0.04 -1.26 -2.85 135.00 129.49 2k5s n PRO 60 Ca 0.10 0.49 -0.03 0.00 -0.04 0.00 0.00 63.50 64.02 2k5s n PRO 60 Cb 0.51 -1.87 0.09 0.00 -0.04 0.00 0.00 33.50 32.20 2k5s n PRO 60 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k5s h THR 61 N 0.00 1.26 0.07 0.52 2.02 -2.03 -3.29 112.91 111.46 2k5s h THR 61 Ca 0.00 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2k5s h THR 61 Cb 0.22 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2k5s h THR 61 CO 0.00 0.27 -0.03 0.58 0.37 0.00 0.00 175.52 176.71 2k5s h VAL 62 N 1.29 1.17 0.00 3.16 2.07 -1.88 -3.21 116.25 118.85 2k5s h VAL 62 Ca 0.34 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2k5s h VAL 62 Cb -0.05 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2k5s h VAL 62 CO -0.06 0.21 0.09 0.79 0.02 0.00 0.00 177.57 178.62 2k5s n TRP 63 N -4.95 0.63 0.05 1.57 5.03 -1.24 0.24 117.44 118.77 2k5s n TRP 63 Ca -0.08 0.33 -0.02 0.00 3.03 0.00 0.00 57.50 60.75 2k5s n TRP 63 Cb 0.22 -0.97 -0.08 0.00 -1.03 0.00 0.00 31.31 29.45 2k5s n TRP 63 CO 0.00 0.00 0.00 1.96 -0.03 0.00 0.00 177.69 179.62 2k5s h GLN 64 N 0.00 0.00 0.00 -0.99 4.20 -1.68 -3.42 115.11 113.22 2k5s h GLN 64 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k5s h GLN 64 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k5s h GLN 64 CO 0.00 0.48 -0.58 0.72 -0.67 0.00 0.00 178.83 178.78 2k5s n HIS 65 N -3.06 0.00 -3.38 2.96 8.25 0.27 -5.04 115.22 115.22 2k5s n HIS 65 Ca -0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 2k5s n HIS 65 Cb 0.88 -0.29 0.08 0.00 1.12 0.00 0.00 29.99 31.78 2k5s n HIS 65 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k5s n VAL 66 N -3.83 -4.88 0.15 1.59 0.31 0.65 -4.84 118.33 107.47 2k5s n VAL 66 Ca -0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2k5s n VAL 66 Cb 0.30 -4.58 0.00 0.00 -0.91 0.00 0.00 33.84 28.66 2k5s n VAL 66 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k5s n LYS 67 N -4.13 0.00 -1.28 5.55 5.02 -1.26 -5.03 118.16 117.02 2k5s n LYS 67 Ca -0.20 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.72 2k5s n LYS 67 Cb 0.63 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.70 2k5s n LYS 67 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2k5s n HIS 68 N -3.22 -1.14 -3.95 2.13 8.25 -1.26 -4.99 115.22 111.05 2k5s n HIS 68 Ca 0.00 0.36 0.02 0.00 -0.26 0.00 0.00 57.72 57.83 2k5s n HIS 68 Cb 0.00 -1.88 0.01 0.00 1.12 0.00 0.00 29.99 29.24 2k5s n HIS 68 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k5s n HIS 69 N -2.20 -0.33 -3.66 4.41 1.44 -1.26 -5.09 115.22 108.53 2k5s n HIS 69 Ca 0.10 -0.49 -0.10 0.00 -2.01 0.00 0.00 57.72 55.21 2k5s n HIS 69 Cb 0.50 0.22 -0.08 0.00 0.12 0.00 0.00 29.99 30.75 2k5s n HIS 69 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5s s HIS 70 N -2.41 -0.81 0.71 -1.40 3.76 -1.26 -5.16 115.29 108.71 2k5s s HIS 70 Ca 0.20 1.77 -0.12 0.00 -0.15 0.00 0.00 55.06 56.76 2k5s s HIS 70 Cb -0.01 0.40 0.02 0.00 1.11 0.00 0.00 32.58 34.11 2k5s s HIS 70 CO -0.00 -0.41 1.08 -1.01 -0.85 0.00 0.00 174.74 173.55 2k5s s HIS 71 N 1.06 2.75 -0.18 1.40 3.76 -1.26 -5.06 115.29 117.76 2k5s s HIS 71 Ca -0.06 1.52 -0.30 0.00 -0.15 0.00 0.00 55.06 56.07 2k5s s HIS 71 Cb -0.05 -3.03 0.14 0.00 1.11 0.00 0.00 32.58 30.75 2k5s s HIS 71 CO -0.10 -1.58 1.07 -3.38 -0.85 0.00 0.00 174.74 169.90 2k5s s HIS 72 N -2.78 -0.29 -1.42 1.40 -3.43 -1.26 -5.35 115.29 102.17 2k5s s HIS 72 Ca 0.62 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 55.34 2k5s s HIS 72 Cb -0.17 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 2k5s s HIS 72 CO 0.51 -0.29 0.36 1.58 -2.00 0.00 0.00 174.74 174.90