#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 3.72 -0.17 2.61 -4.23 -1.26 -4.93 115.64 111.38 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 0.26 0.00 1.34 0.00 0.00 72.50 70.71 2k5s s THR 2 CO 0.00 -0.73 1.78 0.50 -0.54 0.00 0.00 174.62 175.63 2k5s h LYS 3 N -0.76 0.00 -0.05 3.99 3.64 -2.01 -2.94 116.57 118.45 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 1.23 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 0.00 179.45 179.18 2k5s h THR 4 N 0.00 0.20 -0.93 1.00 1.35 -1.99 -0.47 112.91 112.07 2k5s h THR 4 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 66.01 2k5s h THR 4 Cb 0.15 0.20 -0.09 0.00 -1.73 0.00 0.00 68.15 66.67 2k5s h THR 4 CO 0.00 0.00 0.54 0.44 -0.25 0.00 0.00 175.52 176.25 2k5s h ASP 5 N -0.51 0.71 0.65 5.36 3.32 -1.91 0.52 116.42 124.56 2k5s h ASP 5 Ca 0.06 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2k5s h ASP 5 Cb 0.61 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2k5s h ASP 5 CO -0.33 0.32 -0.31 1.88 -1.72 0.00 0.00 179.24 179.08 2k5s h TYR 6 N 0.77 -0.81 -0.76 4.55 -1.99 -1.45 -1.38 116.97 115.90 2k5s h TYR 6 Ca 0.50 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 61.19 2k5s h TYR 6 Cb 0.66 0.27 -0.04 0.00 2.00 0.00 0.00 36.73 39.62 2k5s h TYR 6 CO -0.04 -0.50 0.38 -0.07 -0.00 0.00 0.00 178.16 177.93 2k5s h LEU 7 N -1.01 0.97 0.46 3.88 3.38 -0.98 0.14 115.31 122.16 2k5s h LEU 7 Ca -0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2k5s h LEU 7 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k5s h LEU 7 CO 0.15 0.81 -0.22 0.24 0.09 0.00 0.00 178.44 179.50 2k5s h MET 8 N 1.08 -0.59 -0.37 1.13 2.86 -0.96 -2.83 114.93 115.24 2k5s h MET 8 Ca 0.27 0.04 0.07 0.00 -2.06 0.00 0.00 59.70 58.02 2k5s h MET 8 Cb 0.08 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.81 2k5s h MET 8 CO -0.04 -0.38 -0.07 -0.09 1.06 0.00 0.00 176.91 177.39 2k5s h ARG 9 N -1.15 0.02 -0.01 1.72 2.43 -1.24 -1.73 114.38 114.43 2k5s h ARG 9 Ca -0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2k5s h ARG 9 Cb 0.49 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2k5s h ARG 9 CO 0.10 0.02 0.01 -0.07 -1.51 0.00 0.00 179.97 178.52 2k5s h LEU 10 N 0.03 0.00 0.00 3.80 3.38 -0.81 -2.99 115.31 118.72 2k5s h LEU 10 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2k5s h LEU 10 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k5s h LEU 10 CO -0.36 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.03 2k5s n ARG 11 N -4.24 0.08 0.00 1.13 0.63 -0.65 -3.63 116.66 109.99 2k5s n ARG 11 Ca -0.03 0.04 0.12 0.00 -0.92 0.00 0.00 57.85 57.06 2k5s n ARG 11 Cb 0.09 -1.50 0.22 0.00 0.45 0.00 0.00 32.46 31.72 2k5s n ARG 11 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2k5s n LYS 12 N -1.46 1.67 -0.37 -0.14 4.01 -1.13 -4.32 118.16 116.42 2k5s n LYS 12 Ca 0.08 -1.25 0.29 0.00 -0.51 0.00 0.00 58.31 56.92 2k5s n LYS 12 Cb 0.30 -1.47 0.58 0.00 -0.51 0.00 0.00 35.03 33.92 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 -4.62 0.00 -3.81 0.00 -1.04 -1.26 -4.93 114.28 98.62 2k5s n THR 14 Ca 0.30 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.17 2k5s n THR 14 Cb 1.13 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.49 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 -1.80 -0.03 0.07 12.58 -4.23 -1.26 -5.06 115.64 115.90 2k5s s THR 15 Ca 0.00 0.13 -0.34 0.00 -1.18 0.00 0.00 61.69 60.30 2k5s s THR 15 Cb 0.00 -0.07 -0.19 0.00 1.34 0.00 0.00 72.50 73.58 2k5s s THR 15 CO 0.00 0.05 1.62 0.40 -0.54 0.00 0.00 174.62 176.15 2k5s h ILE 16 N 5.80 0.28 -0.02 2.99 2.04 -1.99 -2.38 117.51 124.23 2k5s h ILE 16 Ca -0.37 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2k5s h ILE 16 Cb 1.16 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2k5s h ILE 16 CO 0.49 0.00 0.23 -2.24 0.00 0.00 0.00 178.15 176.63 2k5s h ASP 17 N -0.98 0.00 -0.03 1.72 3.04 -2.00 0.33 116.42 118.50 2k5s h ASP 17 Ca -0.10 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.61 2k5s h ASP 17 Cb 0.75 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.05 2k5s h ASP 17 CO 0.16 0.00 -0.31 0.74 -2.04 0.00 0.00 179.24 177.79 2k5s h THR 18 N 0.00 1.47 -1.54 1.15 2.02 -1.82 -3.20 112.91 110.99 2k5s h THR 18 Ca 0.01 -1.83 0.46 0.00 0.77 0.00 0.00 66.41 65.82 2k5s h THR 18 Cb 0.48 2.52 -0.08 0.00 -1.74 0.00 0.00 68.15 69.33 2k5s h THR 18 CO -0.00 0.51 1.09 0.25 0.37 0.00 0.00 175.52 177.74 2k5s h LEU 19 N -0.29 0.07 0.26 2.58 5.85 -0.56 1.96 115.31 125.18 2k5s h LEU 19 Ca -0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k5s h LEU 19 Cb 1.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2k5s h LEU 19 CO 0.06 -0.03 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.68 2k5s h GLU 20 N 0.04 -0.33 -0.48 1.25 4.39 -1.60 -1.24 114.58 116.60 2k5s h GLU 20 Ca 0.78 0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.60 2k5s h GLU 20 Cb 2.94 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 31.57 2k5s h GLU 20 CO -0.11 -0.08 -0.10 -0.09 -1.16 0.00 0.00 179.01 177.47 2k5s h ARG 21 N -0.54 0.02 0.09 2.33 2.43 0.30 -2.38 114.38 116.63 2k5s h ARG 21 Ca -0.04 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k5s h ARG 21 Cb 0.40 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2k5s h ARG 21 CO 0.06 0.01 -0.04 0.28 -1.51 0.00 0.00 179.97 178.76 2k5s h VAL 22 N 0.02 1.07 -0.79 0.20 2.07 -1.42 -3.25 116.25 114.14 2k5s h VAL 22 Ca 0.23 -0.60 0.18 0.00 0.82 0.00 0.00 66.70 67.33 2k5s h VAL 22 Cb 0.36 1.45 -0.14 0.00 -1.52 0.00 0.00 31.29 31.44 2k5s h VAL 22 CO -0.48 0.15 -0.00 0.40 0.02 0.00 0.00 177.57 177.65 2k5s h ILE 23 N -0.40 0.30 -0.19 4.57 2.04 -0.73 1.34 117.51 124.43 2k5s h ILE 23 Ca -0.01 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2k5s h ILE 23 Cb 0.34 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2k5s h ILE 23 CO 0.02 0.02 0.16 -0.08 0.00 0.00 0.00 178.15 178.26 2k5s h GLU 24 N 0.09 0.00 0.38 2.37 4.81 -1.49 -1.22 114.58 119.51 2k5s h GLU 24 Ca 0.43 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 2k5s h GLU 24 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k5s h GLU 24 CO -0.70 0.00 -0.18 -0.22 -0.73 0.00 0.00 179.01 177.17 2k5s h LYS 25 N 0.00 -0.49 -0.47 1.92 3.64 0.17 -3.07 116.57 118.27 2k5s h LYS 25 Ca 0.09 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 2k5s h LYS 25 Cb 0.40 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2k5s h LYS 25 CO -0.00 -0.18 0.45 -0.91 -2.27 0.00 0.00 179.45 176.54 2k5s h ASN 26 N -0.95 0.00 -0.54 4.20 2.35 -0.58 -3.15 115.58 116.91 2k5s h ASN 26 Ca -0.05 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2k5s h ASN 26 Cb 0.54 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.80 2k5s h ASN 26 CO 0.09 0.00 -0.22 0.50 -1.65 0.00 0.00 177.43 176.14 2k5s h LYS 27 N 0.00 -0.09 0.01 0.81 3.64 -1.15 -1.12 116.57 118.67 2k5s h LYS 27 Ca 0.22 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.26 2k5s h LYS 27 Cb 1.13 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 2k5s h LYS 27 CO -0.00 -0.06 -2.13 0.66 -2.27 0.00 0.00 179.45 175.64 2k5s n TYR 28 N -5.42 0.45 1.01 1.91 4.01 -1.19 -4.26 117.16 113.67 2k5s n TYR 28 Ca 0.05 0.15 0.11 0.00 -0.16 0.00 0.00 57.90 58.05 2k5s n TYR 28 Cb 0.33 -1.08 0.56 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.97 0.23 0.00 -0.72 0.28 -1.20 -4.68 120.64 111.59 2k5s n GLU 29 Ca -0.29 0.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 2k5s n GLU 29 Cb 1.10 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.47 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 -1.35 0.00 -3.56 -1.84 7.94 -0.43 -5.06 117.00 112.70 2k5s n LEU 30 Ca 0.09 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.92 2k5s n LEU 30 Cb 0.21 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.13 2k5s n LEU 30 CO 0.19 0.00 0.85 -0.94 -1.11 0.00 0.00 177.39 176.38 2k5s s SER 31 N 0.52 -0.27 0.12 1.96 1.04 -1.26 -5.01 113.70 110.80 2k5s s SER 31 Ca 0.00 0.10 -0.31 0.00 0.48 0.00 0.00 55.95 56.22 2k5s s SER 31 Cb 0.00 0.26 -0.09 0.00 0.10 0.00 0.00 66.02 66.29 2k5s s SER 31 CO 0.00 -0.38 1.58 -0.78 0.98 0.00 0.00 173.24 174.64 2k5s h ASP 32 N 2.14 -1.38 -1.06 7.02 3.58 -1.96 0.60 116.42 125.37 2k5s h ASP 32 Ca -0.16 0.17 0.29 0.00 0.42 0.00 0.00 57.03 57.75 2k5s h ASP 32 Cb 1.19 0.54 -0.07 0.00 1.72 0.00 0.00 39.33 42.71 2k5s h ASP 32 CO 0.28 -0.47 0.73 -0.78 -2.88 0.00 0.00 179.24 176.11 2k5s h ASP 33 N -0.59 0.21 0.05 2.28 3.58 -2.01 0.60 116.42 120.54 2k5s h ASP 33 Ca 0.04 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 2k5s h ASP 33 Cb 0.67 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.73 2k5s h ASP 33 CO -0.34 0.04 -0.34 -0.33 -2.88 0.00 0.00 179.24 175.39 2k5s h GLU 34 N 0.18 0.14 -0.34 0.28 5.08 -1.75 -3.35 114.58 114.82 2k5s h GLU 34 Ca 0.55 -0.22 0.10 0.00 -1.00 0.00 0.00 59.36 58.79 2k5s h GLU 34 Cb 1.81 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 2k5s h GLU 34 CO -0.14 1.08 0.97 -0.07 -1.00 0.00 0.00 179.01 179.86 2k5s h LEU 35 N -0.70 0.00 -1.33 1.33 -0.00 0.26 1.21 115.31 116.08 2k5s h LEU 35 Ca -0.06 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.87 2k5s h LEU 35 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.86 2k5s h LEU 35 CO 0.06 0.00 0.49 -0.33 -0.00 0.00 0.00 178.44 178.66 2k5s h GLU 36 N 0.00 0.81 0.29 1.13 5.08 -1.70 0.32 114.58 120.52 2k5s h GLU 36 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2k5s h GLU 36 Cb 2.10 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 2k5s h GLU 36 CO -0.00 0.54 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.19 2k5s h LEU 37 N 0.84 -0.77 -1.10 1.33 3.38 0.12 1.60 115.31 120.72 2k5s h LEU 37 Ca 0.31 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.32 2k5s h LEU 37 Cb 0.17 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2k5s h LEU 37 CO -0.10 -0.41 0.26 0.15 0.09 0.00 0.00 178.44 178.42 2k5s h PHE 38 N -0.61 0.89 0.07 1.13 3.57 -1.26 0.45 116.94 121.20 2k5s h PHE 38 Ca -0.01 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 2k5s h PHE 38 Cb 0.56 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2k5s h PHE 38 CO -0.18 0.68 -0.04 1.88 -2.23 0.00 0.00 178.31 178.43 2k5s h TYR 39 N 0.88 -0.09 -0.68 0.41 0.05 -0.09 0.62 116.97 118.07 2k5s h TYR 39 Ca 0.21 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.10 2k5s h TYR 39 Cb 0.16 0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.88 2k5s h TYR 39 CO 0.01 0.19 0.45 1.03 -1.05 0.00 0.00 178.16 178.79 2k5s h SER 40 N -1.00 0.42 0.00 3.88 0.87 0.23 -2.89 113.55 115.06 2k5s h SER 40 Ca -0.01 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k5s h SER 40 Cb 0.32 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2k5s h SER 40 CO 0.02 0.24 -0.06 0.00 -0.53 0.00 0.00 176.83 176.50 2k5s h ALA 41 N 1.66 0.00 -0.99 6.23 0.00 -0.16 -3.39 119.26 122.62 2k5s h ALA 41 Ca 0.32 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.37 2k5s h ALA 41 Cb 0.63 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2k5s h ALA 41 CO -0.10 0.05 0.66 0.00 0.00 0.00 0.00 179.25 179.86 2k5s h ALA 42 N -0.87 2.38 -0.57 0.00 0.00 -0.81 -1.80 119.26 117.58 2k5s h ALA 42 Ca -0.00 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2k5s h ALA 42 Cb 0.18 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2k5s h ALA 42 CO -0.00 -0.72 0.14 0.22 0.00 0.00 0.00 179.25 178.88 2k5s h ASP 43 N 0.32 0.04 -0.79 0.00 1.82 -1.70 -1.01 116.42 115.10 2k5s h ASP 43 Ca 0.53 0.10 0.19 0.00 -0.39 0.00 0.00 57.03 57.46 2k5s h ASP 43 Cb 1.49 0.13 -0.13 0.00 0.68 0.00 0.00 39.33 41.49 2k5s h ASP 43 CO -0.19 0.04 0.09 0.45 -1.61 0.00 0.00 179.24 178.01 2k5s h HIS 44 N 0.28 0.09 0.00 0.28 3.86 -1.55 1.47 115.15 119.58 2k5s h HIS 44 Ca 0.29 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 2k5s h HIS 44 Cb 0.41 0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2k5s h HIS 44 CO -0.23 -0.22 0.00 -0.09 0.86 0.00 0.00 177.93 178.25 2k5s h ARG 45 N 0.15 0.00 0.01 2.45 9.65 -1.30 -3.13 114.38 122.21 2k5s h ARG 45 Ca 0.45 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.33 2k5s h ARG 45 Cb 0.84 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2k5s h ARG 45 CO -0.65 0.00 -0.00 1.25 2.80 0.00 0.00 179.97 183.36 2k5s h LEU 46 N 0.00 -0.01 -1.23 3.80 6.46 0.22 -3.07 115.31 121.49 2k5s h LEU 46 Ca 0.00 -0.81 0.05 0.00 -0.12 0.00 0.00 57.88 57.00 2k5s h LEU 46 Cb 0.14 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 2k5s h LEU 46 CO 0.00 0.83 0.54 0.00 -0.62 0.00 0.00 178.44 179.19 2k5s h ALA 47 N 0.06 1.54 0.29 1.25 0.00 -1.48 0.50 119.26 121.42 2k5s h ALA 47 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2k5s h ALA 47 Cb 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k5s h ALA 47 CO 0.00 0.36 -0.14 1.05 0.00 0.00 0.00 179.25 180.53 2k5s h GLU 48 N 0.97 -0.38 -0.90 0.00 -0.00 -1.71 -2.73 114.58 109.84 2k5s h GLU 48 Ca 0.34 0.03 0.10 0.00 -0.00 0.00 0.00 59.36 59.83 2k5s h GLU 48 Cb 0.11 0.09 -0.07 0.00 -0.00 0.00 0.00 28.75 28.88 2k5s h GLU 48 CO -0.11 -0.11 0.58 -0.07 -0.00 0.00 0.00 179.01 179.30 2k5s h LEU 49 N -0.63 0.79 -1.51 3.06 3.38 -1.27 -0.31 115.31 118.82 2k5s h LEU 49 Ca -0.04 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.10 2k5s h LEU 49 Cb 0.45 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2k5s h LEU 49 CO 0.07 0.46 0.52 0.74 0.09 0.00 0.00 178.44 180.31 2k5s h THR 50 N 0.87 0.80 0.00 0.22 2.02 0.28 -3.37 112.91 113.73 2k5s h THR 50 Ca 0.42 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2k5s h THR 50 Cb 0.45 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2k5s h THR 50 CO -0.19 0.09 0.00 1.15 0.37 0.00 0.00 175.52 176.94 2k5s n MET 51 N -4.50 0.00 0.00 6.66 -0.00 -0.27 -5.09 117.12 113.92 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 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 33.22 33.74 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 -0.36 -5.04 115.26 119.97 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 2.04 -3.73 -3.83 5.02 -1.21 -5.03 118.16 111.42 2k5s n LYS 53 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 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 1.53 0.00 -0.35 2.96 -1.26 -4.70 118.68 116.86 2k5s s LEU 54 Ca 0.00 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 52.80 2k5s s LEU 54 Cb 0.00 -0.69 0.00 0.00 0.50 0.00 0.00 46.19 46.00 2k5s s LEU 54 CO 0.00 -0.34 0.00 -1.22 -1.32 0.00 0.00 176.35 173.47 2k5s n TYR 55 N 4.98 0.00 0.00 5.38 4.02 -1.26 -5.05 117.16 125.23 2k5s n TYR 55 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2k5s n TYR 55 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 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 -5.17 -0.67 5.02 -1.26 -5.16 118.16 110.93 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 1.88 0.86 -0.18 1.09 -1.26 -5.14 121.20 118.45 2k5s s ILE 58 Ca 0.00 -1.03 -0.14 0.00 -1.10 0.00 0.00 60.65 58.38 2k5s s ILE 58 Cb 0.00 -1.56 0.00 0.00 -1.06 0.00 0.00 42.46 39.84 2k5s s ILE 58 CO 0.00 0.52 0.42 -2.65 -0.10 0.00 0.00 174.94 173.13 2k5s n PRO 59 N 2.47 -0.04 0.11 2.79 -0.02 -1.26 -4.84 135.00 134.20 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 -1.82 0.46 0.00 -0.02 0.00 0.00 33.50 32.64 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 -1.19 0.15 -0.34 0.52 -0.04 -1.26 -2.88 135.00 129.95 2k5s n PRO 60 Ca 0.08 0.45 0.04 0.00 -0.04 0.00 0.00 63.50 64.03 2k5s n PRO 60 Cb 0.52 -1.82 0.19 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.98 0.01 0.52 2.02 -2.03 -3.14 112.91 111.27 2k5s h THR 61 Ca 0.00 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2k5s h THR 61 Cb 0.25 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2k5s h THR 61 CO 0.00 0.18 -0.00 0.58 0.37 0.00 0.00 175.52 176.65 2k5s h VAL 62 N 1.00 1.23 0.00 3.16 2.07 -1.89 -3.12 116.25 118.70 2k5s h VAL 62 Ca 0.44 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2k5s h VAL 62 Cb 0.34 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2k5s h VAL 62 CO -0.23 0.18 0.29 -0.50 0.02 0.00 0.00 177.57 177.34 2k5s h TRP 63 N -0.32 0.00 0.00 1.57 -0.00 -1.74 1.01 115.95 116.47 2k5s h TRP 63 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.89 58.66 2k5s h TRP 63 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.43 2k5s h TRP 63 CO 0.03 0.00 -1.43 1.96 -0.00 0.00 0.00 178.44 179.00 2k5s h GLN 64 N 0.00 0.00 0.00 0.49 4.20 -1.67 -3.42 115.11 114.71 2k5s h GLN 64 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2k5s h GLN 64 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2k5s h GLN 64 CO 0.00 0.52 -1.27 0.72 -0.67 0.00 0.00 178.83 178.13 2k5s n HIS 65 N -3.07 0.00 -3.59 2.96 8.25 0.25 -5.03 115.22 114.99 2k5s n HIS 65 Ca -0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.14 2k5s n HIS 65 Cb 0.96 -0.52 0.05 0.00 1.12 0.00 0.00 29.99 31.59 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 -4.14 -5.65 0.14 1.59 0.31 0.28 -4.83 118.33 106.03 2k5s n VAL 66 Ca -0.22 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.41 2k5s n VAL 66 Cb 0.54 -4.48 0.00 0.00 -0.91 0.00 0.00 33.84 28.99 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 -4.07 0.00 -1.44 5.55 5.02 -1.26 -5.02 118.16 116.94 2k5s n LYS 67 Ca -0.23 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.62 2k5s n LYS 67 Cb 0.66 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.66 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 -3.14 -0.43 -3.66 2.13 8.25 -1.26 -4.96 115.22 112.15 2k5s n HIS 68 Ca 0.00 0.71 -0.00 0.00 -0.26 0.00 0.00 57.72 58.17 2k5s n HIS 68 Cb 0.00 -2.00 0.01 0.00 1.12 0.00 0.00 29.99 29.12 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 -0.50 -0.60 -3.66 4.41 1.44 -1.26 -5.13 115.22 109.92 2k5s n HIS 69 Ca 0.13 -0.30 -0.14 0.00 -2.01 0.00 0.00 57.72 55.40 2k5s n HIS 69 Cb 0.35 0.14 -0.08 0.00 0.12 0.00 0.00 29.99 30.52 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 -4.25 -0.67 0.77 -1.40 3.76 -1.26 -5.17 115.29 107.06 2k5s s HIS 70 Ca 0.07 1.62 -0.11 0.00 -0.15 0.00 0.00 55.06 56.49 2k5s s HIS 70 Cb -0.01 0.24 0.05 0.00 1.11 0.00 0.00 32.58 33.97 2k5s s HIS 70 CO 0.01 -0.34 1.08 -1.01 -0.85 0.00 0.00 174.74 173.64 2k5s s HIS 71 N 0.25 2.90 -0.17 1.40 3.76 -1.26 -5.07 115.29 117.10 2k5s s HIS 71 Ca -0.01 1.26 -0.33 0.00 -0.15 0.00 0.00 55.06 55.84 2k5s s HIS 71 Cb -0.04 -3.04 0.14 0.00 1.11 0.00 0.00 32.58 30.75 2k5s s HIS 71 CO 0.01 -1.61 1.15 -3.38 -0.85 0.00 0.00 174.74 170.06 2k5s s HIS 72 N -3.10 -0.18 -1.50 1.40 -3.43 -1.26 -5.33 115.29 101.89 2k5s s HIS 72 Ca 0.60 0.16 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 2k5s s HIS 72 Cb -0.14 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 2k5s s HIS 72 CO 0.55 -0.26 0.38 1.58 -2.00 0.00 0.00 174.74 174.99