#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 3.71 -0.20 2.61 -4.23 -1.26 -4.94 115.64 111.33 2k5s s THR 2 Ca 0.00 0.56 0.26 0.00 -1.18 0.00 0.00 61.69 61.32 2k5s s THR 2 Cb 0.00 -3.39 0.27 0.00 1.34 0.00 0.00 72.50 70.72 2k5s s THR 2 CO 0.00 -0.73 1.78 0.50 -0.54 0.00 0.00 174.62 175.64 2k5s h LYS 3 N -0.76 0.00 -0.07 3.99 3.64 -2.00 -2.98 116.57 118.39 2k5s h LYS 3 Ca -0.45 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 2k5s h LYS 3 Cb 1.24 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 2k5s h LYS 3 CO 0.60 0.00 -0.38 1.79 -2.27 0.00 0.00 179.45 179.19 2k5s h THR 4 N 0.00 0.21 -0.94 1.00 1.35 -1.99 -0.22 112.91 112.31 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 0.20 0.21 -0.08 0.00 -1.73 0.00 0.00 68.15 66.74 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 -0.49 0.68 0.64 5.36 5.19 -1.91 0.15 116.42 126.04 2k5s h ASP 5 Ca 0.07 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 2k5s h ASP 5 Cb 0.61 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.05 2k5s h ASP 5 CO -0.34 0.31 -0.31 1.88 -3.12 0.00 0.00 179.24 177.67 2k5s h TYR 6 N 0.70 -0.80 -0.63 4.55 -1.99 -1.39 -2.06 116.97 115.36 2k5s h TYR 6 Ca 0.49 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 61.12 2k5s h TYR 6 Cb 0.81 0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.78 2k5s h TYR 6 CO -0.00 -0.49 0.08 -0.07 -0.00 0.00 0.00 178.16 177.69 2k5s h LEU 7 N -1.22 1.02 0.67 3.88 3.38 -0.88 -1.21 115.31 120.96 2k5s h LEU 7 Ca -0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2k5s h LEU 7 Cb 0.67 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k5s h LEU 7 CO 0.14 1.03 -0.32 0.24 0.09 0.00 0.00 178.44 179.63 2k5s h MET 8 N 0.97 -0.86 -0.75 1.13 2.86 -0.79 0.70 114.93 118.18 2k5s h MET 8 Ca 0.19 0.06 0.16 0.00 -2.06 0.00 0.00 59.70 58.05 2k5s h MET 8 Cb 0.46 0.20 -0.11 0.00 0.06 0.00 0.00 31.60 32.21 2k5s h MET 8 CO 0.02 -0.57 0.22 -0.09 1.06 0.00 0.00 176.91 177.55 2k5s h ARG 9 N -1.22 0.31 0.30 1.72 2.43 -1.40 -1.92 114.38 114.60 2k5s h ARG 9 Ca -0.09 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2k5s h ARG 9 Cb 0.70 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2k5s h ARG 9 CO 0.15 0.20 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.60 2k5s h LEU 10 N 0.32 -0.35 -2.11 3.80 3.38 -1.19 -3.29 115.31 115.88 2k5s h LEU 10 Ca 0.43 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k5s h LEU 10 Cb 0.72 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2k5s h LEU 10 CO -0.49 0.10 0.28 -0.09 0.09 0.00 0.00 178.44 178.33 2k5s h ARG 11 N -0.89 0.00 -0.24 1.13 2.43 0.97 0.53 114.38 118.30 2k5s h ARG 11 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 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 0.07 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.16 2k5s n LYS 12 N -2.88 2.16 -0.21 0.20 4.01 -0.77 -4.33 118.16 116.34 2k5s n LYS 12 Ca -0.02 -1.74 0.02 0.00 -0.51 0.00 0.00 58.31 56.06 2k5s n LYS 12 Cb 0.33 -1.46 0.11 0.00 -0.51 0.00 0.00 35.03 33.49 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 -5.26 0.00 -3.84 0.00 -1.04 -1.26 -4.97 114.28 97.91 2k5s n THR 14 Ca 0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.98 2k5s n THR 14 Cb 0.37 -0.03 -0.14 0.00 -1.82 0.00 0.00 70.33 68.70 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 -2.79 -0.01 -0.04 12.58 -4.23 -1.26 -5.07 115.64 114.82 2k5s s THR 15 Ca 0.00 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.42 2k5s s THR 15 Cb 0.00 -0.04 -0.07 0.00 1.34 0.00 0.00 72.50 73.72 2k5s s THR 15 CO 0.00 0.02 0.56 0.40 -0.54 0.00 0.00 174.62 175.06 2k5s h ILE 16 N 5.38 0.00 -0.25 2.99 2.04 -1.98 -2.51 117.51 123.18 2k5s h ILE 16 Ca -0.29 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.01 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 0.50 0.00 0.49 -2.24 0.00 0.00 0.00 178.15 176.89 2k5s h ASP 17 N -1.11 0.00 0.06 1.72 2.03 -2.02 0.51 116.42 117.61 2k5s h ASP 17 Ca -0.05 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.10 2k5s h ASP 17 Cb 0.37 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.89 2k5s h ASP 17 CO 0.08 0.00 -0.63 0.74 -1.03 0.00 0.00 179.24 178.40 2k5s h THR 18 N 0.00 1.50 -1.32 1.15 2.02 -1.98 -3.29 112.91 110.99 2k5s h THR 18 Ca 0.12 -2.28 0.40 0.00 0.77 0.00 0.00 66.41 65.42 2k5s h THR 18 Cb 1.09 2.92 -0.10 0.00 -1.74 0.00 0.00 68.15 70.32 2k5s h THR 18 CO -0.00 0.65 0.88 0.25 0.37 0.00 0.00 175.52 177.67 2k5s h LEU 19 N -0.31 0.22 0.29 2.58 5.85 0.50 1.21 115.31 125.66 2k5s h LEU 19 Ca -0.10 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2k5s h LEU 19 Cb 1.41 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2k5s h LEU 19 CO 0.12 -0.07 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.68 2k5s h GLU 20 N 0.13 -0.38 -0.56 1.25 4.39 -1.61 -1.32 114.58 116.47 2k5s h GLU 20 Ca 0.75 0.03 0.11 0.00 0.34 0.00 0.00 59.36 60.59 2k5s h GLU 20 Cb 2.44 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 31.08 2k5s h GLU 20 CO -0.28 -0.11 -0.05 -0.09 -1.16 0.00 0.00 179.01 177.33 2k5s h ARG 21 N -0.62 0.07 0.05 2.33 2.43 0.14 -2.22 114.38 116.56 2k5s h ARG 21 Ca -0.04 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k5s h ARG 21 Cb 0.45 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2k5s h ARG 21 CO 0.07 0.05 -0.02 0.28 -1.51 0.00 0.00 179.97 178.83 2k5s h VAL 22 N 0.08 1.17 -0.70 0.20 2.07 -1.37 -3.16 116.25 114.54 2k5s h VAL 22 Ca 0.28 -0.74 0.15 0.00 0.82 0.00 0.00 66.70 67.21 2k5s h VAL 22 Cb 0.45 1.66 -0.13 0.00 -1.52 0.00 0.00 31.29 31.75 2k5s h VAL 22 CO -0.51 0.19 -0.10 0.40 0.02 0.00 0.00 177.57 177.56 2k5s h ILE 23 N -0.40 0.34 -0.44 4.57 2.04 -0.63 0.55 117.51 123.53 2k5s h ILE 23 Ca -0.01 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2k5s h ILE 23 Cb 0.36 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2k5s h ILE 23 CO 0.01 0.01 0.17 -0.08 0.00 0.00 0.00 178.15 178.26 2k5s h GLU 24 N 0.04 0.63 0.38 2.37 4.81 -1.54 -2.60 114.58 118.67 2k5s h GLU 24 Ca 0.36 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2k5s h GLU 24 Cb 0.58 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 2k5s h GLU 24 CO -0.68 0.53 -0.32 -0.22 -0.73 0.00 0.00 179.01 177.59 2k5s h LYS 25 N 0.63 -0.69 -1.07 1.92 3.64 0.08 -1.69 116.57 119.39 2k5s h LYS 25 Ca 0.15 0.05 0.29 0.00 -1.27 0.00 0.00 60.65 59.87 2k5s h LYS 25 Cb 0.13 0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 2k5s h LYS 25 CO -0.01 -0.46 0.74 -0.91 -2.27 0.00 0.00 179.45 176.53 2k5s h ASN 26 N -0.71 0.18 0.32 4.20 2.35 -0.84 -2.38 115.58 118.69 2k5s h ASN 26 Ca -0.03 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2k5s h ASN 26 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2k5s h ASN 26 CO -0.03 0.04 -0.25 0.50 -1.65 0.00 0.00 177.43 176.03 2k5s h LYS 27 N 0.16 -0.53 0.00 0.81 3.64 -1.05 1.62 116.57 121.21 2k5s h LYS 27 Ca 0.54 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 2k5s h LYS 27 Cb 1.84 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.78 2k5s h LYS 27 CO -0.12 -0.36 0.00 0.66 -2.27 0.00 0.00 179.45 177.36 2k5s n TYR 28 N -3.89 0.00 -1.40 1.91 4.01 -0.90 -2.45 117.16 114.44 2k5s n TYR 28 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2k5s n TYR 28 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.51 0.00 0.00 -0.72 0.28 -0.80 -5.08 120.64 113.82 2k5s n GLU 29 Ca 0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 2k5s n GLU 29 Cb 0.00 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 32.57 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 -3.64 -1.84 7.94 0.55 -5.03 117.00 114.97 2k5s n LEU 30 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 2k5s n LEU 30 Cb 0.30 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.22 2k5s n LEU 30 CO 0.00 0.00 1.17 -0.94 -1.11 0.00 0.00 177.39 176.51 2k5s s SER 31 N 0.73 -0.02 0.12 1.96 1.04 -1.26 -4.98 113.70 111.28 2k5s s SER 31 Ca 0.00 0.01 -0.32 0.00 0.48 0.00 0.00 55.95 56.12 2k5s s SER 31 Cb 0.00 0.02 -0.11 0.00 0.10 0.00 0.00 66.02 66.03 2k5s s SER 31 CO 0.00 -0.03 1.57 -0.78 0.98 0.00 0.00 173.24 174.99 2k5s h ASP 32 N 2.02 -1.45 -1.28 7.02 3.58 -1.97 0.62 116.42 124.96 2k5s h ASP 32 Ca -0.05 0.17 0.37 0.00 0.42 0.00 0.00 57.03 57.93 2k5s h ASP 32 Cb 1.16 0.55 -0.07 0.00 1.72 0.00 0.00 39.33 42.69 2k5s h ASP 32 CO 0.20 -0.50 0.89 -0.78 -2.88 0.00 0.00 179.24 176.18 2k5s h ASP 33 N -0.65 0.12 0.06 2.28 1.82 -2.03 0.20 116.42 118.23 2k5s h ASP 33 Ca 0.03 0.03 -0.13 0.00 -0.39 0.00 0.00 57.03 56.57 2k5s h ASP 33 Cb 0.70 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.73 2k5s h ASP 33 CO -0.32 -0.00 -0.65 -0.33 -1.61 0.00 0.00 179.24 176.32 2k5s h GLU 34 N 0.09 0.14 -0.39 0.28 5.08 -1.69 -3.37 114.58 114.71 2k5s h GLU 34 Ca 0.65 -0.23 0.11 0.00 -1.00 0.00 0.00 59.36 58.89 2k5s h GLU 34 Cb 2.35 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.68 2k5s h GLU 34 CO -0.12 1.11 0.98 -0.07 -1.00 0.00 0.00 179.01 179.92 2k5s h LEU 35 N -0.68 0.00 -0.72 1.33 -0.00 0.35 0.46 115.31 116.04 2k5s h LEU 35 Ca -0.14 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.81 2k5s h LEU 35 Cb 1.37 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.97 2k5s h LEU 35 CO 0.03 0.00 0.41 -0.33 -0.00 0.00 0.00 178.44 178.55 2k5s h GLU 36 N 0.00 0.71 -0.07 1.13 5.08 -1.73 0.19 114.58 119.89 2k5s h GLU 36 Ca 0.19 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2k5s h GLU 36 Cb 2.15 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 31.19 2k5s h GLU 36 CO -0.00 0.47 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.13 2k5s h LEU 37 N 0.73 -0.84 -1.14 1.33 3.38 -0.36 1.35 115.31 119.76 2k5s h LEU 37 Ca 0.33 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 2k5s h LEU 37 Cb 0.23 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2k5s h LEU 37 CO -0.20 -0.33 0.20 0.15 0.09 0.00 0.00 178.44 178.35 2k5s h PHE 38 N -0.38 0.81 0.20 1.13 3.57 -1.37 0.46 116.94 121.36 2k5s h PHE 38 Ca 0.08 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2k5s h PHE 38 Cb 0.50 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2k5s h PHE 38 CO -0.34 0.64 -0.09 1.88 -2.23 0.00 0.00 178.31 178.16 2k5s h TYR 39 N 0.80 -0.25 -0.46 0.41 0.05 0.25 0.75 116.97 118.51 2k5s h TYR 39 Ca 0.19 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.02 2k5s h TYR 39 Cb 0.18 0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 2k5s h TYR 39 CO 0.01 -0.02 0.31 1.03 -1.05 0.00 0.00 178.16 178.44 2k5s h SER 40 N -1.03 0.33 0.03 3.88 0.87 0.18 -2.78 113.55 115.02 2k5s h SER 40 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2k5s h SER 40 Cb 0.33 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2k5s h SER 40 CO 0.04 0.22 -0.02 0.00 -0.53 0.00 0.00 176.83 176.54 2k5s h ALA 41 N 1.75 -0.04 -1.02 6.23 0.00 -0.14 -3.37 119.26 122.67 2k5s h ALA 41 Ca 0.20 -0.09 0.26 0.00 0.00 0.00 0.00 54.91 55.28 2k5s h ALA 41 Cb 0.32 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2k5s h ALA 41 CO -0.05 -0.04 0.67 0.00 0.00 0.00 0.00 179.25 179.83 2k5s h ALA 42 N -0.83 2.31 -0.47 0.00 0.00 -0.78 -1.41 119.26 118.08 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 17.95 2k5s h ALA 42 CO 0.01 -0.68 0.09 0.22 0.00 0.00 0.00 179.25 178.89 2k5s h ASP 43 N 0.36 -0.01 -0.94 0.00 3.58 -1.66 -1.24 116.42 116.51 2k5s h ASP 43 Ca 0.56 0.08 0.28 0.00 0.42 0.00 0.00 57.03 58.38 2k5s h ASP 43 Cb 1.50 0.12 -0.15 0.00 1.72 0.00 0.00 39.33 42.51 2k5s h ASP 43 CO -0.24 0.03 0.33 0.45 -2.88 0.00 0.00 179.24 176.93 2k5s h HIS 44 N 0.22 0.51 0.00 0.28 3.86 -1.44 1.04 115.15 119.62 2k5s h HIS 44 Ca 0.23 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2k5s h HIS 44 Cb 0.31 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2k5s h HIS 44 CO -0.22 -0.25 0.00 -2.13 0.86 0.00 0.00 177.93 176.18 2k5s n ARG 45 N -5.21 0.04 -0.04 2.45 3.00 -0.49 -4.05 116.66 112.36 2k5s n ARG 45 Ca 0.26 0.15 -0.13 0.00 -0.00 0.00 0.00 57.85 58.13 2k5s n ARG 45 Cb 0.83 -1.55 -0.11 0.00 0.00 0.00 0.00 32.46 31.63 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 -1.34 6.15 5.85 0.14 -3.11 115.31 122.98 2k5s h LEU 46 Ca 0.00 -0.74 0.05 0.00 0.84 0.00 0.00 57.88 58.03 2k5s h LEU 46 Cb 0.40 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2k5s h LEU 46 CO 0.00 0.76 0.48 0.00 -0.34 0.00 0.00 178.44 179.34 2k5s h ALA 47 N 0.08 1.63 0.27 1.25 0.00 -1.70 0.48 119.26 121.27 2k5s h ALA 47 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k5s h ALA 47 Cb 0.76 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k5s h ALA 47 CO 0.00 0.28 -0.13 1.05 0.00 0.00 0.00 179.25 180.45 2k5s h GLU 48 N 0.83 -0.35 -0.92 0.00 -0.00 -1.75 -2.48 114.58 109.91 2k5s h GLU 48 Ca 0.30 0.02 0.08 0.00 -0.00 0.00 0.00 59.36 59.76 2k5s h GLU 48 Cb 0.15 0.08 -0.06 0.00 -0.00 0.00 0.00 28.75 28.92 2k5s h GLU 48 CO -0.09 -0.14 0.60 -0.07 -0.00 0.00 0.00 179.01 179.30 2k5s h LEU 49 N -0.49 0.90 -1.45 3.06 3.38 -1.19 0.04 115.31 119.55 2k5s h LEU 49 Ca -0.04 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2k5s h LEU 49 Cb 0.37 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2k5s h LEU 49 CO 0.06 0.55 0.52 0.74 0.09 0.00 0.00 178.44 180.41 2k5s h THR 50 N 1.01 0.84 0.00 0.22 2.02 0.36 -3.37 112.91 113.98 2k5s h THR 50 Ca 0.41 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.40 2k5s h THR 50 Cb 0.28 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2k5s h THR 50 CO -0.17 0.10 0.00 1.15 0.37 0.00 0.00 175.52 176.97 2k5s n MET 51 N -4.51 0.00 -0.14 6.66 -0.00 -0.47 -5.09 117.12 113.58 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 -0.01 0.00 3.17 6.94 -0.12 -5.04 115.26 120.19 2k5s n ASN 52 Ca 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 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 2.79 -3.73 -3.83 5.02 -1.21 -4.99 118.16 112.21 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 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.93 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 1.38 0.00 -0.35 2.96 -1.26 -4.69 118.68 116.72 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 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 46.04 2k5s s LEU 54 CO 0.00 -0.33 0.00 -1.22 -1.32 0.00 0.00 176.35 173.48 2k5s n TYR 55 N 5.01 0.00 0.00 5.38 4.02 -1.26 -5.03 117.16 125.28 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 -5.16 -0.67 5.02 -1.26 -5.15 118.16 110.93 2k5s n LYS 57 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 2k5s n LYS 57 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 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 1.84 0.86 -0.18 1.09 -1.26 -5.14 121.20 118.42 2k5s s ILE 58 Ca 0.00 -1.00 -0.14 0.00 -1.10 0.00 0.00 60.65 58.41 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 0.52 0.41 -2.65 -0.10 0.00 0.00 174.94 173.12 2k5s n PRO 59 N 2.53 -0.04 0.11 2.79 -0.02 -1.26 -4.84 135.00 134.27 2k5s n PRO 59 Ca -0.16 0.03 0.10 0.00 -2.02 0.00 0.00 63.50 61.46 2k5s n PRO 59 Cb 0.52 -1.81 0.44 0.00 -0.02 0.00 0.00 33.50 32.63 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 -1.14 0.13 -0.16 0.52 -0.04 -1.26 -3.08 135.00 129.98 2k5s n PRO 60 Ca 0.08 0.46 -0.04 0.00 -0.04 0.00 0.00 63.50 63.96 2k5s n PRO 60 Cb 0.52 -1.80 0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.92 0.16 0.52 2.02 -2.03 -3.22 112.91 111.29 2k5s h THR 61 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2k5s h THR 61 Cb 0.21 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2k5s h THR 61 CO 0.00 0.08 -0.08 0.58 0.37 0.00 0.00 175.52 176.47 2k5s h VAL 62 N 0.44 0.87 0.00 3.16 2.07 -1.90 -3.02 116.25 117.87 2k5s h VAL 62 Ca 0.22 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2k5s h VAL 62 Cb 0.17 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2k5s h VAL 62 CO -0.18 0.02 0.14 0.79 0.02 0.00 0.00 177.57 178.37 2k5s n TRP 63 N -5.16 0.59 0.06 1.57 5.03 -1.21 0.20 117.44 118.51 2k5s n TRP 63 Ca -0.09 0.31 -0.01 0.00 3.03 0.00 0.00 57.50 60.74 2k5s n TRP 63 Cb 0.13 -0.90 -0.06 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 -1.63 -3.41 115.11 113.27 2k5s h GLN 64 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2k5s h GLN 64 Cb 0.29 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2k5s h GLN 64 CO 0.00 0.48 -0.70 0.72 -0.67 0.00 0.00 178.83 178.66 2k5s n HIS 65 N -3.08 0.00 -3.46 2.96 8.25 0.25 -5.04 115.22 115.10 2k5s n HIS 65 Ca -0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.22 2k5s n HIS 65 Cb 0.85 -0.33 0.09 0.00 1.12 0.00 0.00 29.99 31.71 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 -5.69 0.12 1.59 0.31 0.54 -4.85 118.33 106.25 2k5s n VAL 66 Ca -0.10 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2k5s n VAL 66 Cb 0.35 -4.85 0.00 0.00 -0.91 0.00 0.00 33.84 28.43 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 -4.20 0.00 -1.57 5.55 5.02 -1.26 -5.01 118.16 116.70 2k5s n LYS 67 Ca -0.27 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.64 2k5s n LYS 67 Cb 0.66 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.72 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 -3.11 0.31 -3.62 2.13 8.25 -1.26 -5.00 115.22 112.92 2k5s n HIS 68 Ca 0.00 0.44 -0.03 0.00 -0.26 0.00 0.00 57.72 57.87 2k5s n HIS 68 Cb 0.00 -2.07 0.01 0.00 1.12 0.00 0.00 29.99 29.05 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 -1.73 -1.23 -3.66 4.41 1.44 -1.26 -5.09 115.22 108.10 2k5s n HIS 69 Ca 0.13 -0.81 -0.14 0.00 -2.01 0.00 0.00 57.72 54.90 2k5s n HIS 69 Cb 0.47 0.40 -0.08 0.00 0.12 0.00 0.00 29.99 30.90 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 -4.18 -0.68 0.64 -1.40 3.76 -1.26 -5.16 115.29 107.00 2k5s s HIS 70 Ca 0.12 1.66 -0.13 0.00 -0.15 0.00 0.00 55.06 56.55 2k5s s HIS 70 Cb -0.02 0.24 -0.02 0.00 1.11 0.00 0.00 32.58 33.89 2k5s s HIS 70 CO 0.04 -0.33 1.05 -1.01 -0.85 0.00 0.00 174.74 173.64 2k5s s HIS 71 N 0.36 3.10 -0.14 1.40 3.76 -1.26 -5.07 115.29 117.45 2k5s s HIS 71 Ca -0.00 1.46 -0.31 0.00 -0.15 0.00 0.00 55.06 56.06 2k5s s HIS 71 Cb -0.04 -2.92 0.13 0.00 1.11 0.00 0.00 32.58 30.85 2k5s s HIS 71 CO 0.00 -1.11 1.04 -3.38 -0.85 0.00 0.00 174.74 170.45 2k5s s HIS 72 N -2.76 -0.29 -1.16 1.40 -3.43 -1.26 -5.35 115.29 102.45 2k5s s HIS 72 Ca 0.60 0.37 0.00 0.00 -0.80 0.00 0.00 55.06 55.24 2k5s s HIS 72 Cb -0.14 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 2k5s s HIS 72 CO 0.45 -0.34 0.29 1.58 -2.00 0.00 0.00 174.74 174.73