#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 3.85 -0.20 2.61 -4.23 -1.26 -4.93 115.64 111.48 2k5s s THR 2 Ca 0.00 0.60 0.26 0.00 -1.18 0.00 0.00 61.69 61.37 2k5s s THR 2 Cb 0.00 -3.41 0.26 0.00 1.34 0.00 0.00 72.50 70.69 2k5s s THR 2 CO 0.00 -0.79 1.77 0.50 -0.54 0.00 0.00 174.62 175.57 2k5s h LYS 3 N -0.74 0.00 -0.20 3.99 3.64 -2.01 -2.91 116.57 118.35 2k5s h LYS 3 Ca -0.45 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2k5s h LYS 3 Cb 1.23 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 2k5s h LYS 3 CO 0.59 0.00 -0.36 1.79 -2.27 0.00 0.00 179.45 179.20 2k5s h THR 4 N 0.00 0.22 -0.86 1.00 1.35 -1.99 0.52 112.91 113.15 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 0.18 0.22 -0.06 0.00 -1.73 0.00 0.00 68.15 66.75 2k5s h THR 4 CO 0.00 0.00 0.56 0.44 -0.25 0.00 0.00 175.52 176.27 2k5s h ASP 5 N -0.39 0.52 0.48 5.36 3.32 -1.90 0.86 116.42 124.67 2k5s h ASP 5 Ca 0.11 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2k5s h ASP 5 Cb 0.57 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2k5s h ASP 5 CO -0.42 0.25 -0.23 1.88 -1.72 0.00 0.00 179.24 179.00 2k5s h TYR 6 N 0.54 -0.60 -0.68 4.55 -1.99 -1.17 -2.53 116.97 115.09 2k5s h TYR 6 Ca 0.44 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 61.07 2k5s h TYR 6 Cb 0.88 0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.78 2k5s h TYR 6 CO -0.00 -0.36 0.12 -0.07 -0.00 0.00 0.00 178.16 177.85 2k5s h LEU 7 N -1.16 1.07 0.65 3.88 3.38 -0.80 -1.03 115.31 121.31 2k5s h LEU 7 Ca -0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2k5s h LEU 7 Cb 0.51 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k5s h LEU 7 CO 0.11 1.05 -0.31 0.24 0.09 0.00 0.00 178.44 179.62 2k5s h MET 8 N 1.05 -0.84 -0.73 1.13 2.86 -0.95 0.84 114.93 118.29 2k5s h MET 8 Ca 0.21 0.06 0.14 0.00 -2.06 0.00 0.00 59.70 58.05 2k5s h MET 8 Cb 0.43 0.19 -0.10 0.00 0.06 0.00 0.00 31.60 32.18 2k5s h MET 8 CO 0.01 -0.53 0.24 -0.09 1.06 0.00 0.00 176.91 177.61 2k5s h ARG 9 N -1.17 0.36 0.22 1.72 2.43 -1.46 -2.19 114.38 114.29 2k5s h ARG 9 Ca -0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2k5s h ARG 9 Cb 0.70 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2k5s h ARG 9 CO 0.15 0.24 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.67 2k5s h LEU 10 N 0.37 -0.25 -1.77 3.80 3.38 -1.14 -3.29 115.31 116.41 2k5s h LEU 10 Ca 0.40 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2k5s h LEU 10 Cb 0.64 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2k5s h LEU 10 CO -0.44 0.27 0.30 -0.09 0.09 0.00 0.00 178.44 178.57 2k5s h ARG 11 N -0.89 0.00 -0.25 1.13 9.65 0.10 0.83 114.38 124.95 2k5s h ARG 11 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2k5s h ARG 11 Cb 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2k5s h ARG 11 CO 0.05 0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.45 2k5s n LYS 12 N -2.69 2.21 -0.22 0.20 4.01 -0.85 -4.34 118.16 116.48 2k5s n LYS 12 Ca -0.02 -1.82 0.02 0.00 -0.51 0.00 0.00 58.31 55.99 2k5s n LYS 12 Cb 0.34 -1.47 0.12 0.00 -0.51 0.00 0.00 35.03 33.51 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 -5.24 0.00 -3.84 0.00 -1.04 -1.26 -4.99 114.28 97.91 2k5s n THR 14 Ca 0.10 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.99 2k5s n THR 14 Cb 0.38 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.76 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 -2.88 -0.01 -0.01 12.58 -4.23 -1.26 -5.07 115.64 114.76 2k5s s THR 15 Ca 0.00 0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 60.33 2k5s s THR 15 Cb 0.00 -0.11 -0.11 0.00 1.34 0.00 0.00 72.50 73.62 2k5s s THR 15 CO 0.00 0.01 0.86 0.40 -0.54 0.00 0.00 174.62 175.35 2k5s h ILE 16 N 5.21 0.00 -0.27 2.99 2.04 -1.97 -1.95 117.51 123.56 2k5s h ILE 16 Ca -0.27 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.23 2k5s h ILE 16 Cb 1.19 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2k5s h ILE 16 CO 0.47 0.00 0.47 -2.24 0.00 0.00 0.00 178.15 176.85 2k5s h ASP 17 N -1.18 0.00 0.05 1.72 2.03 -2.02 0.38 116.42 117.41 2k5s h ASP 17 Ca -0.08 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.10 2k5s h ASP 17 Cb 0.57 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.08 2k5s h ASP 17 CO 0.12 0.00 -0.50 0.74 -1.03 0.00 0.00 179.24 178.57 2k5s h THR 18 N 0.00 1.55 -1.33 1.15 2.02 -1.97 -3.30 112.91 111.03 2k5s h THR 18 Ca 0.13 -2.26 0.40 0.00 0.77 0.00 0.00 66.41 65.45 2k5s h THR 18 Cb 1.07 2.99 -0.10 0.00 -1.74 0.00 0.00 68.15 70.37 2k5s h THR 18 CO -0.00 0.63 0.89 0.25 0.37 0.00 0.00 175.52 177.66 2k5s h LEU 19 N -0.44 0.21 0.28 2.58 5.85 0.58 0.76 115.31 125.12 2k5s h LEU 19 Ca -0.08 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k5s h LEU 19 Cb 1.31 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.41 2k5s h LEU 19 CO 0.10 -0.07 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.66 2k5s h GLU 20 N 0.12 -0.36 -0.71 1.25 4.39 -1.61 -2.21 114.58 115.45 2k5s h GLU 20 Ca 0.75 0.02 0.16 0.00 0.34 0.00 0.00 59.36 60.63 2k5s h GLU 20 Cb 2.47 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 31.08 2k5s h GLU 20 CO -0.27 -0.04 0.08 -0.09 -1.16 0.00 0.00 179.01 177.53 2k5s h ARG 21 N -0.70 0.17 0.07 2.33 2.43 0.44 -2.32 114.38 116.79 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 0.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2k5s h ARG 21 CO 0.06 0.11 -0.03 0.28 -1.51 0.00 0.00 179.97 178.88 2k5s h VAL 22 N 0.18 1.20 -0.87 0.20 2.07 -1.46 -3.30 116.25 114.27 2k5s h VAL 22 Ca 0.39 -0.99 0.22 0.00 0.82 0.00 0.00 66.70 67.15 2k5s h VAL 22 Cb 0.67 1.83 -0.15 0.00 -1.52 0.00 0.00 31.29 32.12 2k5s h VAL 22 CO -0.56 0.24 0.10 0.40 0.02 0.00 0.00 177.57 177.77 2k5s h ILE 23 N -0.54 0.24 -0.34 4.57 2.04 -0.83 1.29 117.51 123.94 2k5s h ILE 23 Ca -0.01 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2k5s h ILE 23 Cb 0.47 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2k5s h ILE 23 CO 0.02 0.02 0.17 -0.08 0.00 0.00 0.00 178.15 178.28 2k5s h GLU 24 N 0.12 0.46 0.41 2.37 4.81 -1.62 -2.46 114.58 118.67 2k5s h GLU 24 Ca 0.52 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 2k5s h GLU 24 Cb 1.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 2k5s h GLU 24 CO -0.73 0.36 -0.33 -0.22 -0.73 0.00 0.00 179.01 177.36 2k5s h LYS 25 N 0.47 -0.70 -1.07 1.92 3.64 0.16 -1.99 116.57 119.00 2k5s h LYS 25 Ca 0.12 0.05 0.29 0.00 -1.27 0.00 0.00 60.65 59.84 2k5s h LYS 25 Cb 0.04 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 2k5s h LYS 25 CO -0.02 -0.47 0.73 -0.91 -2.27 0.00 0.00 179.45 176.51 2k5s h ASN 26 N -0.73 0.22 0.37 4.20 2.35 -0.93 -2.09 115.58 118.98 2k5s h ASN 26 Ca -0.04 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2k5s h ASN 26 Cb 0.63 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 2k5s h ASN 26 CO -0.01 0.04 -0.33 0.50 -1.65 0.00 0.00 177.43 175.99 2k5s h LYS 27 N 0.20 -0.66 0.00 0.81 3.64 -1.16 1.92 116.57 121.31 2k5s h LYS 27 Ca 0.55 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 2k5s h LYS 27 Cb 1.80 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 2k5s h LYS 27 CO -0.15 -0.44 0.00 0.66 -2.27 0.00 0.00 179.45 177.25 2k5s n TYR 28 N -4.36 0.00 -1.49 1.91 4.01 -0.79 -2.36 117.16 114.08 2k5s n TYR 28 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2k5s n TYR 28 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 -0.52 0.00 0.00 -0.72 0.28 -0.58 -5.09 120.64 114.01 2k5s n GLU 29 Ca 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2k5s n GLU 29 Cb 0.00 -0.26 0.00 0.00 1.43 0.00 0.00 31.44 32.61 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 0.00 0.00 0.00 -1.84 7.94 0.64 -5.03 117.00 118.71 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 0.33 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.28 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 0.00 0.00 -0.37 1.96 3.41 -1.26 -4.92 113.62 112.44 2k5s n SER 31 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 2k5s n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k5s n SER 31 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k5s n ASP 32 N 0.00 -0.71 -0.34 4.04 2.03 -1.26 0.68 116.55 120.98 2k5s n ASP 32 Ca 0.00 1.63 0.22 0.00 0.52 0.00 0.00 54.79 57.16 2k5s n ASP 32 Cb 0.00 -0.33 0.46 0.00 -0.72 0.00 0.00 41.12 40.53 2k5s n ASP 32 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k5s h ASP 33 N 0.00 0.55 0.02 1.67 1.82 -2.04 -2.14 116.42 116.30 2k5s h ASP 33 Ca 0.27 0.15 -0.13 0.00 -0.39 0.00 0.00 57.03 56.94 2k5s h ASP 33 Cb 0.51 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 2k5s h ASP 33 CO -0.91 -0.01 -0.67 -0.33 -1.61 0.00 0.00 179.24 175.72 2k5s h GLU 34 N 0.43 0.04 -0.06 0.28 5.08 -0.98 -3.39 114.58 115.98 2k5s h GLU 34 Ca 0.68 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.99 2k5s h GLU 34 Cb 1.52 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 2k5s h GLU 34 CO -0.49 1.03 0.95 -0.07 -1.00 0.00 0.00 179.01 179.43 2k5s h LEU 35 N -0.90 0.00 -0.96 1.33 -0.00 0.95 0.19 115.31 115.92 2k5s h LEU 35 Ca -0.17 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.82 2k5s h LEU 35 Cb 1.22 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.80 2k5s h LEU 35 CO -0.07 0.00 0.59 -0.33 -0.00 0.00 0.00 178.44 178.63 2k5s h GLU 36 N 0.00 0.91 0.09 1.13 5.08 -1.75 0.39 114.58 120.43 2k5s h GLU 36 Ca 0.03 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2k5s h GLU 36 Cb 1.93 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 2k5s h GLU 36 CO -0.00 0.60 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.31 2k5s h LEU 37 N 0.94 -0.68 -1.05 1.33 3.38 -0.94 1.37 115.31 119.66 2k5s h LEU 37 Ca 0.48 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.49 2k5s h LEU 37 Cb 0.47 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2k5s h LEU 37 CO -0.27 -0.32 0.19 0.15 0.09 0.00 0.00 178.44 178.28 2k5s h PHE 38 N -0.42 0.89 0.12 1.13 3.57 -1.12 0.37 116.94 121.47 2k5s h PHE 38 Ca 0.04 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2k5s h PHE 38 Cb 0.46 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2k5s h PHE 38 CO -0.23 0.71 -0.06 1.88 -2.23 0.00 0.00 178.31 178.38 2k5s h TYR 39 N 0.85 -0.15 -0.84 0.41 0.05 0.17 -0.02 116.97 117.44 2k5s h TYR 39 Ca 0.19 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.09 2k5s h TYR 39 Cb 0.24 0.05 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 2k5s h TYR 39 CO 0.02 0.10 0.54 1.03 -1.05 0.00 0.00 178.16 178.80 2k5s h SER 40 N -1.01 0.62 0.00 3.88 0.87 0.18 -2.88 113.55 115.22 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 0.33 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2k5s h SER 40 CO 0.03 0.34 -0.03 0.00 -0.53 0.00 0.00 176.83 176.64 2k5s h ALA 41 N 1.60 0.00 -0.97 6.23 0.00 -0.34 -3.39 119.26 122.39 2k5s h ALA 41 Ca 0.41 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.42 2k5s h ALA 41 Cb 0.63 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2k5s h ALA 41 CO -0.17 0.03 0.63 0.00 0.00 0.00 0.00 179.25 179.74 2k5s h ALA 42 N -0.83 2.11 -0.43 0.00 0.00 -0.95 -2.23 119.26 116.92 2k5s h ALA 42 Ca -0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2k5s h ALA 42 Cb 0.20 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2k5s h ALA 42 CO -0.00 -0.45 -0.01 0.22 0.00 0.00 0.00 179.25 179.01 2k5s h ASP 43 N 0.48 -0.20 -0.98 0.00 1.82 -1.70 -1.59 116.42 114.25 2k5s h ASP 43 Ca 0.54 0.10 0.33 0.00 -0.39 0.00 0.00 57.03 57.61 2k5s h ASP 43 Cb 1.23 0.19 -0.16 0.00 0.68 0.00 0.00 39.33 41.27 2k5s h ASP 43 CO -0.26 -0.06 0.48 0.45 -1.61 0.00 0.00 179.24 178.24 2k5s h HIS 44 N 0.10 0.77 0.00 0.28 3.86 -1.61 1.03 115.15 119.58 2k5s h HIS 44 Ca 0.21 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2k5s h HIS 44 Cb 0.31 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2k5s h HIS 44 CO -0.29 -0.26 0.00 -2.13 0.86 0.00 0.00 177.93 176.11 2k5s n ARG 45 N -5.15 0.00 -0.05 2.45 3.00 -0.60 -3.90 116.66 112.42 2k5s n ARG 45 Ca 0.31 0.19 -0.13 0.00 -0.00 0.00 0.00 57.85 58.22 2k5s n ARG 45 Cb 0.99 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.84 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 -0.01 -1.18 6.15 6.46 0.11 -3.11 115.31 123.73 2k5s h LEU 46 Ca 0.00 -0.80 -0.01 0.00 -0.12 0.00 0.00 57.88 56.95 2k5s h LEU 46 Cb 0.32 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2k5s h LEU 46 CO 0.00 0.83 0.43 0.00 -0.62 0.00 0.00 178.44 179.08 2k5s h ALA 47 N 0.01 1.39 0.37 1.25 0.00 -1.68 0.25 119.26 120.84 2k5s h ALA 47 Ca -0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k5s h ALA 47 Cb 0.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k5s h ALA 47 CO 0.00 0.52 -0.18 1.05 0.00 0.00 0.00 179.25 180.65 2k5s h GLU 48 N 1.00 -0.47 -0.71 0.00 -0.00 -1.72 -2.40 114.58 110.27 2k5s h GLU 48 Ca 0.26 0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.75 2k5s h GLU 48 Cb -0.02 0.11 -0.05 0.00 -0.00 0.00 0.00 28.75 28.79 2k5s h GLU 48 CO -0.05 -0.27 0.47 -0.07 -0.00 0.00 0.00 179.01 179.09 2k5s h LEU 49 N -0.56 0.54 -1.49 3.06 3.38 -1.32 0.55 115.31 119.48 2k5s h LEU 49 Ca -0.05 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.07 2k5s h LEU 49 Cb 0.42 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2k5s h LEU 49 CO 0.08 0.33 0.51 0.74 0.09 0.00 0.00 178.44 180.19 2k5s h THR 50 N 0.60 0.84 0.00 0.22 2.02 -0.01 -3.37 112.91 113.21 2k5s h THR 50 Ca 0.33 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.33 2k5s h THR 50 Cb 0.47 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2k5s h THR 50 CO -0.11 0.09 0.00 1.15 0.37 0.00 0.00 175.52 177.02 2k5s n MET 51 N -4.50 0.00 -0.01 6.66 -0.00 -0.31 -5.09 117.12 113.88 2k5s n MET 51 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.84 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 0.03 -5.05 115.26 120.35 2k5s n ASN 52 Ca 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 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 2.48 -3.76 -3.83 5.02 -1.22 -4.97 118.16 111.88 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 0.01 0.00 -0.17 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 0.77 0.00 -0.35 2.96 -1.26 -4.65 118.68 116.15 2k5s s LEU 54 Ca 0.00 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 2k5s s LEU 54 Cb 0.00 -0.50 0.00 0.00 0.50 0.00 0.00 46.19 46.19 2k5s s LEU 54 CO 0.00 -0.23 0.00 -1.22 -1.32 0.00 0.00 176.35 173.58 2k5s n TYR 55 N 5.11 0.00 0.00 5.38 4.02 -1.26 -5.00 117.16 125.41 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 -5.06 116.55 119.98 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 -3.98 -0.67 5.02 -1.26 -5.15 118.16 112.12 2k5s n LYS 57 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2k5s n LYS 57 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 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 2.73 0.79 -0.18 1.09 -1.26 -5.11 121.20 119.25 2k5s s ILE 58 Ca 0.00 -1.12 -0.15 0.00 -1.10 0.00 0.00 60.65 58.28 2k5s s ILE 58 Cb 0.00 -2.41 0.01 0.00 -1.06 0.00 0.00 42.46 39.01 2k5s s ILE 58 CO 0.00 0.18 0.73 -2.65 -0.10 0.00 0.00 174.94 173.10 2k5s n PRO 59 N 4.63 0.19 0.10 2.79 -0.02 -1.26 -4.82 135.00 136.61 2k5s n PRO 59 Ca -0.16 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.52 2k5s n PRO 59 Cb 0.46 -2.04 0.41 0.00 -0.02 0.00 0.00 33.50 32.31 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 -1.68 0.11 -0.19 0.52 -0.04 -1.26 -2.83 135.00 129.62 2k5s n PRO 60 Ca 0.11 0.50 -0.07 0.00 -0.04 0.00 0.00 63.50 63.99 2k5s n PRO 60 Cb 0.51 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 32.21 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 1.20 0.02 0.52 2.02 -2.03 -3.30 112.91 111.35 2k5s h THR 61 Ca 0.00 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 2k5s h THR 61 Cb 0.14 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2k5s h THR 61 CO 0.00 0.22 -0.01 0.58 0.37 0.00 0.00 175.52 176.68 2k5s h VAL 62 N 0.74 1.09 0.00 3.16 2.07 -1.88 -2.99 116.25 118.45 2k5s h VAL 62 Ca 0.19 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2k5s h VAL 62 Cb 0.11 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2k5s h VAL 62 CO -0.03 0.09 0.28 0.79 0.02 0.00 0.00 177.57 178.73 2k5s n TRP 63 N -5.03 0.38 0.00 1.57 5.03 -1.24 0.11 117.44 118.25 2k5s n TRP 63 Ca -0.08 0.20 -0.16 0.00 3.03 0.00 0.00 57.50 60.49 2k5s n TRP 63 Cb 0.11 -0.61 -0.14 0.00 -1.03 0.00 0.00 31.31 29.64 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 0.17 0.00 -0.99 4.20 -1.69 -3.43 115.11 113.37 2k5s h GLN 64 Ca 0.00 -0.29 -0.20 0.00 0.06 0.00 0.00 58.65 58.23 2k5s h GLN 64 Cb 0.57 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2k5s h GLN 64 CO 0.00 0.94 -1.60 0.72 -0.67 0.00 0.00 178.83 178.22 2k5s n HIS 65 N -3.32 0.00 -3.77 2.96 8.25 0.16 -5.02 115.22 114.48 2k5s n HIS 65 Ca -0.25 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 56.98 2k5s n HIS 65 Cb 1.05 -0.66 0.02 0.00 1.12 0.00 0.00 29.99 31.52 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 -4.25 -3.87 0.00 1.59 0.31 0.30 -4.78 118.33 107.63 2k5s n VAL 66 Ca -0.30 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2k5s n VAL 66 Cb 0.65 -3.46 0.00 0.00 -0.91 0.00 0.00 33.84 30.11 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 -4.36 0.00 -1.59 5.55 5.02 -1.26 -5.02 118.16 116.50 2k5s n LYS 67 Ca -0.25 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.70 2k5s n LYS 67 Cb 0.65 -0.18 0.07 0.00 -0.02 0.00 0.00 35.03 35.56 2k5s n LYS 67 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2k5s s HIS 68 N -1.25 2.22 0.01 2.13 3.76 -1.26 -5.01 115.29 115.89 2k5s s HIS 68 Ca 0.00 1.58 -0.09 0.00 -0.15 0.00 0.00 55.06 56.39 2k5s s HIS 68 Cb 0.00 -3.42 0.03 0.00 1.11 0.00 0.00 32.58 30.31 2k5s s HIS 68 CO 0.00 -2.37 0.43 -2.39 -0.85 0.00 0.00 174.74 169.56 2k5s n HIS 69 N -2.47 -0.40 -3.65 1.40 1.44 -1.26 -5.10 115.22 105.19 2k5s n HIS 69 Ca 0.13 -0.30 -0.07 0.00 -2.01 0.00 0.00 57.72 55.47 2k5s n HIS 69 Cb 0.50 0.14 -0.07 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 -3.22 -1.04 0.70 -1.40 3.76 -1.26 -5.16 115.29 107.67 2k5s s HIS 70 Ca 0.10 2.05 -0.14 0.00 -0.15 0.00 0.00 55.06 56.92 2k5s s HIS 70 Cb -0.00 0.61 0.02 0.00 1.11 0.00 0.00 32.58 34.32 2k5s s HIS 70 CO 0.00 -0.52 1.13 -1.01 -0.85 0.00 0.00 174.74 173.49 2k5s s HIS 71 N 1.79 2.44 -0.03 1.40 3.76 -1.26 -5.05 115.29 118.35 2k5s s HIS 71 Ca -0.09 1.57 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 2k5s s HIS 71 Cb -0.06 -3.23 0.11 0.00 1.11 0.00 0.00 32.58 30.51 2k5s s HIS 71 CO -0.19 -1.95 0.97 -3.38 -0.85 0.00 0.00 174.74 169.34 2k5s s HIS 72 N -2.35 -0.28 -1.83 1.40 -3.43 -1.26 -5.35 115.29 102.20 2k5s s HIS 72 Ca 0.68 0.15 0.00 0.00 -0.80 0.00 0.00 55.06 55.08 2k5s s HIS 72 Cb -0.22 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 2k5s s HIS 72 CO 0.45 -0.49 0.46 1.58 -2.00 0.00 0.00 174.74 174.74