#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 3.70 -0.12 2.61 -4.23 -1.26 -4.94 115.64 111.40 2k5s s THR 2 Ca 0.00 0.55 0.27 0.00 -1.18 0.00 0.00 61.69 61.34 2k5s s THR 2 Cb 0.00 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.74 2k5s s THR 2 CO 0.00 -0.72 1.83 0.50 -0.54 0.00 0.00 174.62 175.69 2k5s h LYS 3 N -0.77 0.00 0.04 3.99 3.64 -2.00 -3.05 116.57 118.42 2k5s h LYS 3 Ca -0.45 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 2k5s h LYS 3 Cb 1.24 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2k5s h LYS 3 CO 0.60 0.00 -0.42 1.79 -2.27 0.00 0.00 179.45 179.15 2k5s h THR 4 N 0.00 0.16 -1.00 1.00 1.35 -1.99 -0.81 112.91 111.61 2k5s h THR 4 Ca 0.00 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.04 2k5s h THR 4 Cb 0.20 0.16 -0.10 0.00 -1.73 0.00 0.00 68.15 66.67 2k5s h THR 4 CO 0.00 0.00 0.62 0.44 -0.25 0.00 0.00 175.52 176.33 2k5s h ASP 5 N -0.60 0.78 0.65 5.36 3.32 -1.93 -0.70 116.42 123.30 2k5s h ASP 5 Ca 0.04 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2k5s h ASP 5 Cb 0.66 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.16 2k5s h ASP 5 CO -0.29 0.30 -0.31 1.88 -1.72 0.00 0.00 179.24 179.10 2k5s h TYR 6 N 0.77 -0.81 -0.80 4.55 -1.99 -1.52 -1.99 116.97 115.17 2k5s h TYR 6 Ca 0.56 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.27 2k5s h TYR 6 Cb 0.86 0.27 -0.04 0.00 2.00 0.00 0.00 36.73 39.82 2k5s h TYR 6 CO -0.00 -0.50 0.51 -0.07 -0.00 0.00 0.00 178.16 178.10 2k5s h LEU 7 N -1.22 0.94 0.51 3.88 3.38 -0.98 -1.41 115.31 120.41 2k5s h LEU 7 Ca -0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2k5s h LEU 7 Cb 0.68 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.20 2k5s h LEU 7 CO 0.15 0.70 -0.25 0.24 0.09 0.00 0.00 178.44 179.37 2k5s h MET 8 N 1.10 -0.67 -0.59 1.13 2.86 -1.18 0.91 114.93 118.50 2k5s h MET 8 Ca 0.29 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 58.09 2k5s h MET 8 Cb -0.09 0.15 -0.09 0.00 0.06 0.00 0.00 31.60 31.63 2k5s h MET 8 CO -0.06 -0.44 0.05 -0.09 1.06 0.00 0.00 176.91 177.44 2k5s h ARG 9 N -1.18 0.16 0.36 1.72 2.43 -1.32 -1.77 114.38 114.79 2k5s h ARG 9 Ca -0.07 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2k5s h ARG 9 Cb 0.54 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2k5s h ARG 9 CO 0.12 0.11 -0.17 -0.07 -1.51 0.00 0.00 179.97 178.44 2k5s h LEU 10 N 0.17 -0.41 -1.88 3.80 3.38 -1.32 -3.15 115.31 115.89 2k5s h LEU 10 Ca 0.31 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k5s h LEU 10 Cb 0.48 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k5s h LEU 10 CO -0.46 -0.07 0.28 -0.09 0.09 0.00 0.00 178.44 178.19 2k5s h ARG 11 N -0.79 0.00 -0.02 1.13 2.43 -0.31 0.81 114.38 117.63 2k5s h ARG 11 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k5s h ARG 11 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2k5s h ARG 11 CO 0.08 0.00 -0.03 1.63 -1.51 0.00 0.00 179.97 180.14 2k5s n LYS 12 N -2.74 2.05 -0.22 0.20 4.01 -0.71 -4.39 118.16 116.36 2k5s n LYS 12 Ca -0.02 -1.58 -0.01 0.00 -0.51 0.00 0.00 58.31 56.19 2k5s n LYS 12 Cb 0.33 -1.47 0.05 0.00 -0.51 0.00 0.00 35.03 33.43 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 -3.82 0.00 -1.04 -1.26 -5.02 114.28 97.69 2k5s n THR 14 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.95 2k5s n THR 14 Cb 0.35 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.72 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 -2.56 -0.02 0.03 12.58 -4.23 -1.26 -5.06 115.64 115.11 2k5s s THR 15 Ca 0.00 0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.29 2k5s s THR 15 Cb 0.00 -0.08 -0.17 0.00 1.34 0.00 0.00 72.50 73.59 2k5s s THR 15 CO 0.00 0.03 1.29 0.40 -0.54 0.00 0.00 174.62 175.80 2k5s h ILE 16 N 5.51 0.14 -0.08 2.99 2.04 -1.98 -2.65 117.51 123.48 2k5s h ILE 16 Ca -0.32 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.33 2k5s h ILE 16 Cb 1.18 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2k5s h ILE 16 CO 0.48 0.01 0.34 -2.24 0.00 0.00 0.00 178.15 176.74 2k5s h ASP 17 N -1.17 0.00 0.01 1.72 2.03 -2.03 0.34 116.42 117.33 2k5s h ASP 17 Ca -0.10 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.11 2k5s h ASP 17 Cb 0.76 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.27 2k5s h ASP 17 CO 0.16 0.00 -0.37 0.74 -1.03 0.00 0.00 179.24 178.74 2k5s h THR 18 N 0.00 1.53 -1.70 1.15 2.02 -1.94 -3.27 112.91 110.70 2k5s h THR 18 Ca 0.04 -2.05 0.50 0.00 0.77 0.00 0.00 66.41 65.66 2k5s h THR 18 Cb 0.71 2.80 -0.07 0.00 -1.74 0.00 0.00 68.15 69.85 2k5s h THR 18 CO -0.00 0.57 1.22 0.25 0.37 0.00 0.00 175.52 177.93 2k5s h LEU 19 N -0.42 0.02 0.27 2.58 5.85 -0.57 1.30 115.31 124.35 2k5s h LEU 19 Ca -0.05 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2k5s h LEU 19 Cb 1.14 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2k5s h LEU 19 CO 0.07 -0.02 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.70 2k5s h GLU 20 N 0.01 -0.35 -0.67 1.25 4.39 -1.61 -2.97 114.58 114.63 2k5s h GLU 20 Ca 0.83 0.02 0.14 0.00 0.34 0.00 0.00 59.36 60.69 2k5s h GLU 20 Cb 3.25 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 31.87 2k5s h GLU 20 CO -0.05 -0.06 0.05 -0.09 -1.16 0.00 0.00 179.01 177.70 2k5s h ARG 21 N -0.63 0.15 -0.03 2.33 2.43 0.16 -2.75 114.38 116.04 2k5s h ARG 21 Ca -0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2k5s h ARG 21 Cb 0.45 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2k5s h ARG 21 CO 0.06 0.10 -0.04 0.28 -1.51 0.00 0.00 179.97 178.87 2k5s h VAL 22 N 0.16 1.41 -0.87 0.20 2.07 -1.60 -3.34 116.25 114.28 2k5s h VAL 22 Ca 0.36 -1.27 0.22 0.00 0.82 0.00 0.00 66.70 66.83 2k5s h VAL 22 Cb 0.60 2.21 -0.15 0.00 -1.52 0.00 0.00 31.29 32.43 2k5s h VAL 22 CO -0.54 0.34 0.06 0.40 0.02 0.00 0.00 177.57 177.85 2k5s h ILE 23 N -0.44 0.21 -0.23 4.57 2.04 -1.31 1.53 117.51 123.88 2k5s h ILE 23 Ca 0.00 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2k5s h ILE 23 Cb 0.57 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2k5s h ILE 23 CO 0.01 0.02 0.16 -0.08 0.00 0.00 0.00 178.15 178.26 2k5s h GLU 24 N 0.09 0.10 0.60 2.37 4.81 -1.66 -1.93 114.58 118.96 2k5s h GLU 24 Ca 0.51 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.71 2k5s h GLU 24 Cb 1.00 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.36 2k5s h GLU 24 CO -0.76 0.07 -0.29 -0.22 -0.73 0.00 0.00 179.01 177.07 2k5s h LYS 25 N 0.10 -0.78 -0.50 1.92 3.64 0.20 -2.69 116.57 118.47 2k5s h LYS 25 Ca 0.11 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.68 2k5s h LYS 25 Cb 0.29 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2k5s h LYS 25 CO -0.01 -0.49 0.48 -0.91 -2.27 0.00 0.00 179.45 176.25 2k5s h ASN 26 N -0.91 0.00 -0.33 4.20 2.35 -0.87 -3.27 115.58 116.75 2k5s h ASN 26 Ca -0.08 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2k5s h ASN 26 Cb 0.66 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.94 2k5s h ASN 26 CO 0.14 0.00 -0.32 0.50 -1.65 0.00 0.00 177.43 176.09 2k5s h LYS 27 N 0.00 -0.28 -0.56 0.81 3.64 -1.06 -1.66 116.57 117.47 2k5s h LYS 27 Ca 0.24 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2k5s h LYS 27 Cb 1.19 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2k5s h LYS 27 CO -0.00 -0.18 0.00 0.66 -2.27 0.00 0.00 179.45 177.65 2k5s n TYR 28 N -5.41 0.73 -0.04 1.91 4.01 -1.23 -4.29 117.16 112.84 2k5s n TYR 28 Ca -0.00 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 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 1.45 -0.05 -0.01 -0.72 0.28 -1.02 -4.85 120.64 115.72 2k5s n GLU 29 Ca 0.21 -0.42 -0.04 0.00 -0.16 0.00 0.00 57.16 56.76 2k5s n GLU 29 Cb 0.58 -0.92 -0.01 0.00 1.43 0.00 0.00 31.44 32.52 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 -0.11 1.43 0.00 -1.84 7.94 -0.65 -5.05 117.00 118.71 2k5s n LEU 30 Ca 0.00 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 2k5s n LEU 30 Cb 0.01 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.46 2k5s n LEU 30 CO 0.00 -0.56 0.00 -1.54 -1.11 0.00 0.00 177.39 174.18 2k5s n SER 31 N -3.87 0.00 -0.01 1.96 3.41 -1.26 -4.96 113.62 108.89 2k5s n SER 31 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.55 2k5s n SER 31 Cb 0.21 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.04 -0.53 4.04 1.82 -1.96 -3.30 116.42 116.45 2k5s h ASP 32 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.72 2k5s h ASP 32 Cb 0.00 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 39.99 2k5s h ASP 32 CO 0.00 0.22 0.36 -0.78 -1.61 0.00 0.00 179.24 177.42 2k5s h ASP 33 N -0.53 0.34 -0.28 2.28 1.82 -2.02 -1.42 116.42 116.61 2k5s h ASP 33 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.69 2k5s h ASP 33 Cb 0.03 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 39.93 2k5s h ASP 33 CO 0.01 0.21 0.01 -0.33 -1.61 0.00 0.00 179.24 177.53 2k5s h GLU 34 N 0.39 0.09 0.00 0.28 5.08 -1.93 -2.18 114.58 116.30 2k5s h GLU 34 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2k5s h GLU 34 Cb 0.44 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k5s h GLU 34 CO -0.06 0.06 0.83 -0.07 -1.00 0.00 0.00 179.01 178.77 2k5s h LEU 35 N 0.09 0.00 -1.34 1.33 3.38 -1.33 1.02 115.31 118.46 2k5s h LEU 35 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2k5s h LEU 35 Cb 0.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2k5s h LEU 35 CO -0.22 0.00 0.48 -0.33 0.09 0.00 0.00 178.44 178.46 2k5s h GLU 36 N 0.00 0.80 0.44 1.13 5.08 -1.57 0.57 114.58 121.04 2k5s h GLU 36 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2k5s h GLU 36 Cb 1.67 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2k5s h GLU 36 CO 0.00 0.53 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.15 2k5s h LEU 37 N 0.83 -0.84 -1.45 1.33 3.38 0.88 1.84 115.31 121.28 2k5s h LEU 37 Ca 0.30 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 2k5s h LEU 37 Cb 0.15 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2k5s h LEU 37 CO -0.09 -0.49 0.15 0.15 0.09 0.00 0.00 178.44 178.25 2k5s h PHE 38 N -0.75 0.51 0.01 1.13 3.57 -1.21 0.85 116.94 121.06 2k5s h PHE 38 Ca -0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2k5s h PHE 38 Cb 0.64 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.21 2k5s h PHE 38 CO -0.14 0.41 -0.00 1.88 -2.23 0.00 0.00 178.31 178.22 2k5s h TYR 39 N 0.52 -0.01 -0.63 0.41 0.05 0.40 -1.18 116.97 116.53 2k5s h TYR 39 Ca 0.13 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.98 2k5s h TYR 39 Cb 0.10 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 2k5s h TYR 39 CO 0.00 0.42 0.42 1.03 -1.05 0.00 0.00 178.16 178.98 2k5s h SER 40 N -1.00 0.53 0.04 3.88 0.87 0.29 -2.55 113.55 115.61 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 0.44 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2k5s h SER 40 CO 0.00 0.34 -0.02 0.00 -0.53 0.00 0.00 176.83 176.63 2k5s h ALA 41 N 1.66 -0.05 -0.96 6.23 0.00 0.64 -3.38 119.26 123.41 2k5s h ALA 41 Ca 0.28 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.37 2k5s h ALA 41 Cb 0.31 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 2k5s h ALA 41 CO -0.08 -0.05 0.63 0.00 0.00 0.00 0.00 179.25 179.75 2k5s h ALA 42 N -0.95 2.21 -0.31 0.00 0.00 -1.18 -2.03 119.26 117.01 2k5s h ALA 42 Ca -0.00 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2k5s h ALA 42 Cb 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2k5s h ALA 42 CO 0.01 -0.54 -0.10 0.22 0.00 0.00 0.00 179.25 178.84 2k5s h ASP 43 N 0.42 -0.35 -0.98 0.00 1.82 -1.63 -1.62 116.42 114.07 2k5s h ASP 43 Ca 0.52 0.10 0.34 0.00 -0.39 0.00 0.00 57.03 57.60 2k5s h ASP 43 Cb 1.29 0.22 -0.17 0.00 0.68 0.00 0.00 39.33 41.35 2k5s h ASP 43 CO -0.22 -0.13 0.44 0.45 -1.61 0.00 0.00 179.24 178.17 2k5s h HIS 44 N -0.03 0.68 0.00 0.28 3.86 -1.55 1.64 115.15 120.02 2k5s h HIS 44 Ca 0.15 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2k5s h HIS 44 Cb 0.26 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2k5s h HIS 44 CO -0.31 -0.34 0.00 -2.13 0.86 0.00 0.00 177.93 176.01 2k5s n ARG 45 N -5.22 0.14 -0.05 2.45 3.00 -0.61 -3.66 116.66 112.71 2k5s n ARG 45 Ca 0.32 0.39 -0.12 0.00 -0.00 0.00 0.00 57.85 58.43 2k5s n ARG 45 Cb 1.04 -1.77 -0.11 0.00 0.00 0.00 0.00 32.46 31.62 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 -1.24 6.15 6.46 0.24 -3.07 115.31 123.83 2k5s h LEU 46 Ca 0.00 -0.77 0.04 0.00 -0.12 0.00 0.00 57.88 57.03 2k5s h LEU 46 Cb 0.31 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 2k5s h LEU 46 CO 0.00 0.82 0.53 0.00 -0.62 0.00 0.00 178.44 179.17 2k5s h ALA 47 N -0.03 1.54 0.37 1.25 0.00 -1.63 0.39 119.26 121.15 2k5s h ALA 47 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2k5s h ALA 47 Cb 0.79 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k5s h ALA 47 CO 0.00 0.37 -0.18 1.05 0.00 0.00 0.00 179.25 180.50 2k5s h GLU 48 N 0.97 -0.48 -0.82 0.00 -0.00 -1.71 -2.60 114.58 109.94 2k5s h GLU 48 Ca 0.33 0.03 0.09 0.00 -0.00 0.00 0.00 59.36 59.81 2k5s h GLU 48 Cb 0.09 0.11 -0.06 0.00 -0.00 0.00 0.00 28.75 28.89 2k5s h GLU 48 CO -0.10 -0.26 0.53 -0.07 -0.00 0.00 0.00 179.01 179.11 2k5s h LEU 49 N -0.61 0.71 -1.57 3.06 3.38 -1.21 -0.17 115.31 118.91 2k5s h LEU 49 Ca -0.05 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.09 2k5s h LEU 49 Cb 0.45 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2k5s h LEU 49 CO 0.08 0.43 0.51 0.74 0.09 0.00 0.00 178.44 180.29 2k5s h THR 50 N 0.79 0.79 0.00 0.22 2.02 0.13 -3.37 112.91 113.49 2k5s h THR 50 Ca 0.37 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.41 2k5s h THR 50 Cb 0.39 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2k5s h THR 50 CO -0.14 0.08 0.00 1.15 0.37 0.00 0.00 175.52 176.97 2k5s n MET 51 N -4.48 0.00 -0.46 6.66 -0.00 -0.24 -5.09 117.12 113.51 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 0.54 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 -0.01 0.00 3.17 6.94 -0.25 -5.04 115.26 120.06 2k5s n ASN 52 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 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 3.06 -3.74 -3.83 5.02 -1.22 -5.01 118.16 112.43 2k5s n LYS 53 Ca -0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 2k5s n LYS 53 Cb 0.23 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.08 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 1.43 0.00 -0.35 2.96 -1.26 -4.71 118.68 116.75 2k5s s LEU 54 Ca 0.00 -1.00 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 2k5s s LEU 54 Cb 0.00 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 46.02 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 5.00 0.00 0.00 5.38 4.02 -1.26 -5.04 117.16 125.25 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 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 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 0.29 -1.92 0.00 0.00 177.20 175.57 2k5s n LYS 57 N 0.00 0.00 -3.97 -0.67 5.02 -1.26 -5.14 118.16 112.14 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 2.87 0.79 -0.18 1.09 -1.26 -5.11 121.20 119.40 2k5s s ILE 58 Ca 0.00 -0.91 -0.15 0.00 -1.10 0.00 0.00 60.65 58.49 2k5s s ILE 58 Cb 0.00 -2.40 0.01 0.00 -1.06 0.00 0.00 42.46 39.00 2k5s s ILE 58 CO 0.00 0.28 0.66 -2.65 -0.10 0.00 0.00 174.94 173.13 2k5s n PRO 59 N 4.69 0.15 0.08 2.79 -0.02 -1.26 -4.83 135.00 136.61 2k5s n PRO 59 Ca -0.17 0.10 0.07 0.00 -2.02 0.00 0.00 63.50 61.49 2k5s n PRO 59 Cb 0.48 -1.98 0.35 0.00 -0.02 0.00 0.00 33.50 32.33 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 -1.52 0.09 -0.19 0.52 -0.04 -1.26 -2.96 135.00 129.64 2k5s n PRO 60 Ca 0.10 0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 2k5s n PRO 60 Cb 0.51 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.05 0.52 2.02 -2.03 -3.34 112.91 111.38 2k5s h THR 61 Ca 0.00 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.06 2k5s h THR 61 Cb 0.13 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2k5s h THR 61 CO 0.00 0.40 -0.02 0.58 0.37 0.00 0.00 175.52 176.85 2k5s h VAL 62 N 0.83 1.13 0.00 3.16 2.07 -1.89 -3.19 116.25 118.35 2k5s h VAL 62 Ca 0.15 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2k5s h VAL 62 Cb 0.54 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2k5s h VAL 62 CO 0.03 0.14 0.14 0.79 0.02 0.00 0.00 177.57 178.69 2k5s n TRP 63 N -5.00 0.42 0.03 1.57 5.03 -1.25 0.17 117.44 118.40 2k5s n TRP 63 Ca -0.08 0.22 -0.03 0.00 3.03 0.00 0.00 57.50 60.64 2k5s n TRP 63 Cb 0.16 -0.75 -0.09 0.00 -1.03 0.00 0.00 31.31 29.60 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 -1.73 -3.42 115.11 113.17 2k5s h GLN 64 Ca 0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 2k5s h GLN 64 Cb 0.27 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2k5s h GLN 64 CO 0.00 0.45 -1.59 0.72 -0.67 0.00 0.00 178.83 177.74 2k5s n HIS 65 N -3.02 0.00 -3.77 2.96 8.25 0.18 -5.03 115.22 114.78 2k5s n HIS 65 Ca -0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.14 2k5s n HIS 65 Cb 0.90 -0.54 0.02 0.00 1.12 0.00 0.00 29.99 31.49 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 -3.89 -3.94 0.00 1.59 0.31 0.44 -4.75 118.33 108.08 2k5s n VAL 66 Ca -0.27 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2k5s n VAL 66 Cb 0.62 -3.47 0.00 0.00 -0.91 0.00 0.00 33.84 30.09 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 -4.34 0.00 -2.35 5.55 5.02 -1.26 -5.01 118.16 115.77 2k5s n LYS 67 Ca -0.26 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.68 2k5s n LYS 67 Cb 0.66 -0.09 -0.01 0.00 -0.02 0.00 0.00 35.03 35.57 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 -1.00 2.78 0.04 2.13 3.76 -1.26 -5.02 115.29 116.72 2k5s s HIS 68 Ca 0.00 1.55 -0.13 0.00 -0.15 0.00 0.00 55.06 56.33 2k5s s HIS 68 Cb 0.00 -3.23 0.05 0.00 1.11 0.00 0.00 32.58 30.51 2k5s s HIS 68 CO 0.00 -1.34 0.62 -2.39 -0.85 0.00 0.00 174.74 170.78 2k5s n HIS 69 N -1.15 -0.63 -3.66 1.40 1.44 -1.26 -5.06 115.22 106.30 2k5s n HIS 69 Ca 0.11 -0.53 -0.11 0.00 -2.01 0.00 0.00 57.72 55.18 2k5s n HIS 69 Cb 0.51 0.25 -0.08 0.00 0.12 0.00 0.00 29.99 30.80 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 -3.21 -0.82 0.64 -1.40 3.76 -1.26 -5.16 115.29 107.84 2k5s s HIS 70 Ca 0.14 1.80 -0.15 0.00 -0.15 0.00 0.00 55.06 56.70 2k5s s HIS 70 Cb -0.01 0.40 -0.01 0.00 1.11 0.00 0.00 32.58 34.06 2k5s s HIS 70 CO 0.01 -0.41 1.07 -1.01 -0.85 0.00 0.00 174.74 173.56 2k5s s HIS 71 N 1.01 2.88 -0.14 1.40 3.76 -1.26 -5.06 115.29 117.88 2k5s s HIS 71 Ca -0.05 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.06 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 -0.09 -1.33 1.03 -3.38 -0.85 0.00 0.00 174.74 170.12 2k5s s HIS 72 N -2.53 -0.30 -1.37 1.40 -3.43 -1.26 -5.38 115.29 102.43 2k5s s HIS 72 Ca 0.64 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 55.29 2k5s s HIS 72 Cb -0.17 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.47 2k5s s HIS 72 CO 0.42 -0.35 0.34 1.58 -2.00 0.00 0.00 174.74 174.73