#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 3.83 -0.19 2.61 -4.23 -1.26 -4.93 115.64 111.47 2k5s s THR 2 Ca 0.00 0.59 0.24 0.00 -1.18 0.00 0.00 61.69 61.34 2k5s s THR 2 Cb 0.00 -3.44 0.24 0.00 1.34 0.00 0.00 72.50 70.64 2k5s s THR 2 CO 0.00 -0.78 1.72 0.50 -0.54 0.00 0.00 174.62 175.52 2k5s h LYS 3 N -0.72 0.00 -0.03 3.99 3.64 -2.01 -3.04 116.57 118.40 2k5s h LYS 3 Ca -0.45 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.96 2k5s h LYS 3 Cb 1.23 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 2k5s h LYS 3 CO 0.60 0.00 -0.40 1.79 -2.27 0.00 0.00 179.45 179.16 2k5s h THR 4 N 0.00 0.17 -0.97 1.00 1.35 -1.99 0.54 112.91 113.02 2k5s h THR 4 Ca 0.00 0.00 0.17 0.00 -0.55 0.00 0.00 66.41 66.03 2k5s h THR 4 Cb 0.07 0.17 -0.09 0.00 -1.73 0.00 0.00 68.15 66.57 2k5s h THR 4 CO 0.00 0.00 0.61 0.44 -0.25 0.00 0.00 175.52 176.32 2k5s h ASP 5 N -0.54 0.75 0.60 5.36 3.32 -1.92 0.21 116.42 124.19 2k5s h ASP 5 Ca 0.06 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2k5s h ASP 5 Cb 0.64 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2k5s h ASP 5 CO -0.33 0.33 -0.29 1.88 -1.72 0.00 0.00 179.24 179.11 2k5s h TYR 6 N 0.76 -0.75 -0.77 4.55 -1.99 -1.48 -1.80 116.97 115.49 2k5s h TYR 6 Ca 0.52 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 61.17 2k5s h TYR 6 Cb 0.80 0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.74 2k5s h TYR 6 CO -0.00 -0.47 0.26 -0.07 -0.00 0.00 0.00 178.16 177.88 2k5s h LEU 7 N -1.22 1.10 0.67 3.88 3.38 -0.73 -0.54 115.31 121.85 2k5s h LEU 7 Ca -0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2k5s h LEU 7 Cb 0.62 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k5s h LEU 7 CO 0.14 1.01 -0.32 0.24 0.09 0.00 0.00 178.44 179.59 2k5s h MET 8 N 1.14 -0.86 -0.57 1.13 2.86 -0.68 0.49 114.93 118.44 2k5s h MET 8 Ca 0.25 0.06 0.11 0.00 -2.06 0.00 0.00 59.70 58.06 2k5s h MET 8 Cb 0.28 0.20 -0.09 0.00 0.06 0.00 0.00 31.60 32.05 2k5s h MET 8 CO -0.01 -0.56 0.05 -0.09 1.06 0.00 0.00 176.91 177.35 2k5s h ARG 9 N -1.22 0.16 0.32 1.72 2.43 -1.32 -1.75 114.38 114.74 2k5s h ARG 9 Ca -0.09 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2k5s h ARG 9 Cb 0.70 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2k5s h ARG 9 CO 0.15 0.11 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.50 2k5s h LEU 10 N 0.17 -0.36 -1.87 3.80 3.38 -1.10 -3.15 115.31 116.18 2k5s h LEU 10 Ca 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k5s h LEU 10 Cb 0.45 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2k5s h LEU 10 CO -0.44 0.01 0.30 -0.09 0.09 0.00 0.00 178.44 178.31 2k5s h ARG 11 N -0.79 0.00 -0.03 1.13 9.65 0.43 0.85 114.38 125.62 2k5s h ARG 11 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2k5s h ARG 11 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2k5s h ARG 11 CO 0.07 0.00 -0.01 1.63 2.80 0.00 0.00 179.97 184.46 2k5s n LYS 12 N -2.75 2.14 -0.30 0.20 4.01 -0.70 -4.44 118.16 116.33 2k5s n LYS 12 Ca -0.02 -1.67 0.07 0.00 -0.51 0.00 0.00 58.31 56.19 2k5s n LYS 12 Cb 0.34 -1.47 0.18 0.00 -0.51 0.00 0.00 35.03 33.58 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 -5.45 0.00 -3.83 0.00 -1.04 -1.26 -5.00 114.28 97.69 2k5s n THR 14 Ca 0.16 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.04 2k5s n THR 14 Cb 0.54 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.91 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 -2.03 -0.01 0.01 12.58 -4.23 -1.26 -5.06 115.64 115.63 2k5s s THR 15 Ca 0.00 0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.29 2k5s s THR 15 Cb 0.00 -0.11 -0.15 0.00 1.34 0.00 0.00 72.50 73.58 2k5s s THR 15 CO 0.00 0.02 1.09 0.40 -0.54 0.00 0.00 174.62 175.59 2k5s h ILE 16 N 5.28 0.10 -0.20 2.99 2.04 -1.97 -2.51 117.51 123.24 2k5s h ILE 16 Ca -0.29 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.27 2k5s h ILE 16 Cb 1.19 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2k5s h ILE 16 CO 0.47 0.02 0.42 -2.24 0.00 0.00 0.00 178.15 176.81 2k5s h ASP 17 N -1.18 0.00 0.03 1.72 2.03 -2.02 0.17 116.42 117.17 2k5s h ASP 17 Ca -0.09 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.10 2k5s h ASP 17 Cb 0.68 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.19 2k5s h ASP 17 CO 0.14 0.00 -0.46 0.74 -1.03 0.00 0.00 179.24 178.63 2k5s h THR 18 N 0.00 1.52 -1.55 1.15 2.02 -1.95 -3.28 112.91 110.82 2k5s h THR 18 Ca 0.09 -2.15 0.47 0.00 0.77 0.00 0.00 66.41 65.59 2k5s h THR 18 Cb 0.94 2.86 -0.09 0.00 -1.74 0.00 0.00 68.15 70.12 2k5s h THR 18 CO -0.00 0.60 1.08 0.25 0.37 0.00 0.00 175.52 177.82 2k5s h LEU 19 N -0.39 0.10 0.27 2.58 5.85 -0.20 1.47 115.31 124.99 2k5s h LEU 19 Ca -0.07 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2k5s h LEU 19 Cb 1.24 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2k5s h LEU 19 CO 0.09 -0.06 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.67 2k5s h GLU 20 N 0.04 -0.35 -0.66 1.25 4.39 -1.61 -2.65 114.58 114.99 2k5s h GLU 20 Ca 0.81 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.67 2k5s h GLU 20 Cb 2.96 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 31.58 2k5s h GLU 20 CO -0.16 -0.12 0.01 -0.09 -1.16 0.00 0.00 179.01 177.49 2k5s h ARG 21 N -0.54 0.12 -0.02 2.33 2.43 0.19 -2.56 114.38 116.33 2k5s h ARG 21 Ca -0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2k5s h ARG 21 Cb 0.40 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2k5s h ARG 21 CO 0.06 0.08 -0.02 0.28 -1.51 0.00 0.00 179.97 178.86 2k5s h VAL 22 N 0.12 1.36 -0.85 0.20 2.07 -1.53 -3.33 116.25 114.29 2k5s h VAL 22 Ca 0.35 -1.11 0.20 0.00 0.82 0.00 0.00 66.70 66.96 2k5s h VAL 22 Cb 0.57 2.06 -0.16 0.00 -1.52 0.00 0.00 31.29 32.25 2k5s h VAL 22 CO -0.56 0.29 -0.04 0.40 0.02 0.00 0.00 177.57 177.68 2k5s h ILE 23 N -0.39 0.20 -0.19 4.57 2.04 -1.08 0.95 117.51 123.61 2k5s h ILE 23 Ca 0.00 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2k5s h ILE 23 Cb 0.49 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2k5s h ILE 23 CO 0.00 0.01 0.13 -0.08 0.00 0.00 0.00 178.15 178.21 2k5s h GLU 24 N 0.05 0.17 0.57 2.37 4.81 -1.66 -2.14 114.58 118.76 2k5s h GLU 24 Ca 0.47 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.66 2k5s h GLU 24 Cb 0.85 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.20 2k5s h GLU 24 CO -0.80 0.12 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.10 2k5s h LYS 25 N 0.18 -0.74 -0.47 1.92 3.64 0.81 -2.76 116.57 119.16 2k5s h LYS 25 Ca 0.08 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 2k5s h LYS 25 Cb 0.09 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2k5s h LYS 25 CO -0.01 -0.45 0.44 -0.91 -2.27 0.00 0.00 179.45 176.25 2k5s h ASN 26 N -0.90 0.00 -0.26 4.20 4.21 -0.87 -3.28 115.58 118.69 2k5s h ASN 26 Ca -0.08 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.49 2k5s h ASN 26 Cb 0.63 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.76 2k5s h ASN 26 CO 0.13 0.00 -0.34 0.50 -1.29 0.00 0.00 177.43 176.43 2k5s h LYS 27 N 0.00 -0.32 -0.52 0.81 3.64 -1.09 -2.22 116.57 116.86 2k5s h LYS 27 Ca 0.22 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2k5s h LYS 27 Cb 1.10 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2k5s h LYS 27 CO -0.00 -0.22 0.00 0.66 -2.27 0.00 0.00 179.45 177.62 2k5s n TYR 28 N -5.41 0.68 0.01 1.91 4.01 -1.24 -4.42 117.16 112.70 2k5s n TYR 28 Ca -0.01 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 2k5s n TYR 28 Cb 0.33 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.57 -0.38 0.00 -0.72 0.28 -1.11 -4.94 120.64 115.34 2k5s n GLU 29 Ca 0.21 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.55 2k5s n GLU 29 Cb 0.62 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.48 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 -0.06 0.00 0.00 -1.84 7.94 -0.85 -5.04 117.00 117.14 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 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2k5s n LEU 30 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.39 174.74 2k5s n SER 31 N -0.27 0.00 0.23 1.96 3.41 -1.26 -5.03 113.62 112.65 2k5s n SER 31 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2k5s n SER 31 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.52 -0.59 4.04 3.58 -1.96 -2.39 116.42 118.58 2k5s h ASP 32 Ca 0.00 0.02 0.17 0.00 0.42 0.00 0.00 57.03 57.64 2k5s h ASP 32 Cb 0.00 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2k5s h ASP 32 CO 0.00 -0.24 0.48 -0.78 -2.88 0.00 0.00 179.24 175.82 2k5s h ASP 33 N -0.87 0.00 -0.13 2.28 3.58 -2.02 0.21 116.42 119.47 2k5s h ASP 33 Ca -0.06 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2k5s h ASP 33 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 2k5s h ASP 33 CO 0.10 0.00 0.06 -0.33 -2.88 0.00 0.00 179.24 176.19 2k5s h GLU 34 N 0.00 0.19 -0.33 0.28 5.08 -1.96 -2.91 114.58 114.93 2k5s h GLU 34 Ca 0.28 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.70 2k5s h GLU 34 Cb 1.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k5s h GLU 34 CO -0.00 0.25 0.98 -0.07 -1.00 0.00 0.00 179.01 179.17 2k5s h LEU 35 N 0.07 0.00 -1.41 1.33 -0.00 -0.03 1.47 115.31 116.74 2k5s h LEU 35 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2k5s h LEU 35 Cb 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.76 2k5s h LEU 35 CO -0.01 0.00 0.41 -0.33 -0.00 0.00 0.00 178.44 178.51 2k5s h GLU 36 N 0.00 0.78 0.25 1.13 5.08 -1.66 0.17 114.58 120.33 2k5s h GLU 36 Ca 0.16 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2k5s h GLU 36 Cb 2.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 2k5s h GLU 36 CO -0.00 0.51 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.15 2k5s h LEU 37 N 0.80 -0.83 -1.35 1.33 3.38 0.18 1.76 115.31 120.59 2k5s h LEU 37 Ca 0.23 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2k5s h LEU 37 Cb -0.04 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2k5s h LEU 37 CO -0.06 -0.42 0.32 0.15 0.09 0.00 0.00 178.44 178.52 2k5s h PHE 38 N -0.60 0.74 0.00 1.13 3.57 -1.31 0.59 116.94 121.06 2k5s h PHE 38 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k5s h PHE 38 Cb 0.57 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2k5s h PHE 38 CO -0.21 0.51 -0.03 1.88 -2.23 0.00 0.00 178.31 178.23 2k5s h TYR 39 N 0.77 0.00 -0.61 0.41 0.05 -0.25 -1.87 116.97 115.48 2k5s h TYR 39 Ca 0.20 0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.05 2k5s h TYR 39 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2k5s h TYR 39 CO 0.00 0.29 0.40 1.03 -1.05 0.00 0.00 178.16 178.84 2k5s h SER 40 N -1.00 0.49 0.06 3.88 0.87 0.27 -2.97 113.55 115.15 2k5s h SER 40 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k5s h SER 40 Cb 0.30 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2k5s h SER 40 CO -0.00 0.31 -0.03 0.00 -0.53 0.00 0.00 176.83 176.58 2k5s h ALA 41 N 1.68 -0.08 -0.99 6.23 0.00 0.08 -3.38 119.26 122.79 2k5s h ALA 41 Ca 0.27 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.36 2k5s h ALA 41 Cb 0.34 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 2k5s h ALA 41 CO -0.08 -0.08 0.65 0.00 0.00 0.00 0.00 179.25 179.74 2k5s h ALA 42 N -0.94 2.20 -0.57 0.00 0.00 -1.31 -2.07 119.26 116.56 2k5s h ALA 42 Ca -0.01 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2k5s h ALA 42 Cb 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 2k5s h ALA 42 CO 0.01 -0.56 0.14 0.22 0.00 0.00 0.00 179.25 179.07 2k5s h ASP 43 N 0.42 0.06 -0.94 0.00 1.82 -1.70 -1.37 116.42 114.71 2k5s h ASP 43 Ca 0.55 0.10 0.29 0.00 -0.39 0.00 0.00 57.03 57.57 2k5s h ASP 43 Cb 1.35 0.12 -0.16 0.00 0.68 0.00 0.00 39.33 41.33 2k5s h ASP 43 CO -0.25 0.05 0.31 0.45 -1.61 0.00 0.00 179.24 178.19 2k5s h HIS 44 N 0.29 0.47 0.00 0.28 3.86 -1.58 0.99 115.15 119.46 2k5s h HIS 44 Ca 0.29 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k5s h HIS 44 Cb 0.41 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2k5s h HIS 44 CO -0.22 -0.29 0.00 -2.13 0.86 0.00 0.00 177.93 176.15 2k5s n ARG 45 N -5.24 0.13 -0.05 2.45 3.00 -0.52 -3.78 116.66 112.65 2k5s n ARG 45 Ca 0.26 0.33 -0.14 0.00 -0.00 0.00 0.00 57.85 58.31 2k5s n ARG 45 Cb 0.85 -1.73 -0.12 0.00 0.00 0.00 0.00 32.46 31.47 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 0.02 -1.23 6.15 6.46 0.11 -3.13 115.31 123.68 2k5s h LEU 46 Ca 0.00 -0.82 0.04 0.00 -0.12 0.00 0.00 57.88 56.98 2k5s h LEU 46 Cb 0.36 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 2k5s h LEU 46 CO 0.00 0.83 0.53 0.00 -0.62 0.00 0.00 178.44 179.18 2k5s h ALA 47 N 0.18 1.52 0.32 1.25 0.00 -1.65 0.24 119.26 121.12 2k5s h ALA 47 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k5s h ALA 47 Cb 0.83 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2k5s h ALA 47 CO 0.00 0.40 -0.15 1.05 0.00 0.00 0.00 179.25 180.55 2k5s h GLU 48 N 0.99 -0.41 -0.84 0.00 -0.00 -1.72 -2.47 114.58 110.12 2k5s h GLU 48 Ca 0.32 0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.81 2k5s h GLU 48 Cb 0.05 0.09 -0.06 0.00 -0.00 0.00 0.00 28.75 28.84 2k5s h GLU 48 CO -0.10 -0.23 0.55 -0.07 -0.00 0.00 0.00 179.01 179.16 2k5s h LEU 49 N -0.50 0.74 -1.45 3.06 3.38 -1.26 0.98 115.31 120.26 2k5s h LEU 49 Ca -0.04 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2k5s h LEU 49 Cb 0.38 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2k5s h LEU 49 CO 0.07 0.44 0.53 0.74 0.09 0.00 0.00 178.44 180.31 2k5s h THR 50 N 0.82 0.84 0.00 0.22 2.02 -0.09 -3.37 112.91 113.35 2k5s h THR 50 Ca 0.39 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.38 2k5s h THR 50 Cb 0.41 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2k5s h THR 50 CO -0.16 0.10 0.00 1.15 0.37 0.00 0.00 175.52 176.99 2k5s n MET 51 N -4.51 0.00 0.00 6.66 -0.00 -0.21 -5.09 117.12 113.97 2k5s n MET 51 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.85 2k5s n MET 51 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.69 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 0.17 -5.05 115.26 120.49 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 2.94 -3.73 -3.83 5.02 -1.22 -4.99 118.16 112.35 2k5s n LYS 53 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 2k5s n LYS 53 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 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 1.20 0.00 -0.35 2.96 -1.26 -4.70 118.68 116.53 2k5s s LEU 54 Ca 0.00 -0.87 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 2k5s s LEU 54 Cb 0.00 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 46.10 2k5s s LEU 54 CO 0.00 -0.32 0.00 -1.22 -1.32 0.00 0.00 176.35 173.49 2k5s n TYR 55 N 5.05 0.00 0.00 5.38 4.02 -1.26 -5.03 117.16 125.32 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 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 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 -5.07 116.55 119.97 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 1.17 -1.92 0.00 0.00 177.20 176.45 2k5s n LYS 57 N 0.00 0.00 -5.13 -0.67 4.81 -1.26 -5.16 118.16 110.75 2k5s n LYS 57 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2k5s n LYS 57 Cb 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 34.89 2k5s n LYS 57 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2k5s s ILE 58 N 0.00 1.83 0.88 3.15 1.09 -1.26 -5.14 121.20 121.75 2k5s s ILE 58 Ca 0.00 -1.01 -0.14 0.00 -1.10 0.00 0.00 60.65 58.40 2k5s s ILE 58 Cb 0.00 -1.53 0.00 0.00 -1.06 0.00 0.00 42.46 39.87 2k5s s ILE 58 CO 0.00 0.50 0.37 -2.65 -0.10 0.00 0.00 174.94 173.06 2k5s n PRO 59 N 2.47 -0.08 0.14 2.79 -0.02 -1.26 -4.85 135.00 134.18 2k5s n PRO 59 Ca -0.16 0.02 0.11 0.00 -2.02 0.00 0.00 63.50 61.45 2k5s n PRO 59 Cb 0.52 -1.79 0.51 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.12 0.17 -0.15 0.52 -0.04 -1.26 -3.01 135.00 130.11 2k5s n PRO 60 Ca 0.07 0.50 -0.05 0.00 -0.04 0.00 0.00 63.50 63.98 2k5s n PRO 60 Cb 0.53 -1.89 0.04 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.95 0.07 0.52 2.02 -2.02 -3.18 112.91 111.26 2k5s h THR 61 Ca 0.00 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 2k5s h THR 61 Cb 0.23 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2k5s h THR 61 CO 0.00 0.08 -0.03 0.58 0.37 0.00 0.00 175.52 176.52 2k5s h VAL 62 N 0.43 0.98 0.00 3.16 2.07 -1.90 -2.79 116.25 118.21 2k5s h VAL 62 Ca 0.20 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2k5s h VAL 62 Cb 0.12 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2k5s h VAL 62 CO -0.15 0.04 0.09 0.79 0.02 0.00 0.00 177.57 178.36 2k5s n TRP 63 N -5.10 0.55 0.02 1.57 5.03 -1.20 0.23 117.44 118.56 2k5s n TRP 63 Ca -0.08 0.29 -0.05 0.00 3.03 0.00 0.00 57.50 60.70 2k5s n TRP 63 Cb 0.09 -0.90 -0.10 0.00 -1.03 0.00 0.00 31.31 29.37 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 -1.56 -3.42 115.11 113.34 2k5s h GLN 64 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2k5s h GLN 64 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2k5s h GLN 64 CO 0.00 0.52 -0.88 0.72 -0.67 0.00 0.00 178.83 178.52 2k5s n HIS 65 N -3.07 0.00 -3.54 2.96 8.25 0.24 -5.04 115.22 115.03 2k5s n HIS 65 Ca -0.10 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.17 2k5s n HIS 65 Cb 0.94 -0.39 0.07 0.00 1.12 0.00 0.00 29.99 31.73 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 -4.10 -5.16 0.04 1.59 0.31 0.64 -4.83 118.33 106.81 2k5s n VAL 66 Ca -0.14 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2k5s n VAL 66 Cb 0.41 -4.50 0.00 0.00 -0.91 0.00 0.00 33.84 28.84 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 -4.27 0.00 -1.57 5.55 5.02 -1.26 -5.03 118.16 116.60 2k5s n LYS 67 Ca -0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.61 2k5s n LYS 67 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 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 -2.70 0.87 -3.85 2.13 8.25 -1.26 -4.96 115.22 113.70 2k5s n HIS 68 Ca 0.00 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 58.08 2k5s n HIS 68 Cb 0.00 -2.19 0.01 0.00 1.12 0.00 0.00 29.99 28.93 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 -0.34 -0.62 -3.66 4.41 1.44 -1.26 -5.11 115.22 110.08 2k5s n HIS 69 Ca 0.10 -0.60 -0.12 0.00 -2.01 0.00 0.00 57.72 55.09 2k5s n HIS 69 Cb 0.37 0.28 -0.08 0.00 0.12 0.00 0.00 29.99 30.68 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 -2.90 -0.75 0.64 -1.40 3.76 -1.26 -5.16 115.29 108.22 2k5s s HIS 70 Ca 0.17 1.75 -0.14 0.00 -0.15 0.00 0.00 55.06 56.68 2k5s s HIS 70 Cb -0.01 0.31 -0.01 0.00 1.11 0.00 0.00 32.58 33.98 2k5s s HIS 70 CO 0.01 -0.37 1.08 -1.01 -0.85 0.00 0.00 174.74 173.60 2k5s s HIS 71 N 0.62 2.85 -0.15 1.40 3.76 -1.26 -5.06 115.29 117.46 2k5s s HIS 71 Ca -0.02 1.52 -0.32 0.00 -0.15 0.00 0.00 55.06 56.09 2k5s s HIS 71 Cb -0.05 -3.04 0.13 0.00 1.11 0.00 0.00 32.58 30.73 2k5s s HIS 71 CO -0.03 -1.37 1.09 -3.38 -0.85 0.00 0.00 174.74 170.20 2k5s s HIS 72 N -2.54 -0.23 -1.86 1.40 -3.43 -1.26 -5.34 115.29 102.03 2k5s s HIS 72 Ca 0.64 0.24 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 2k5s s HIS 72 Cb -0.17 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 2k5s s HIS 72 CO 0.43 -0.30 0.46 1.58 -2.00 0.00 0.00 174.74 174.91