#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4p n VAL 3 N 0.00 0.54 0.17 0.00 3.14 -1.26 -4.07 118.33 116.86 1m4p n VAL 3 Ca 0.00 -0.60 0.03 0.00 -2.96 0.00 0.00 64.34 60.81 1m4p n VAL 3 Cb 0.00 -0.25 0.31 0.00 -1.06 0.00 0.00 33.84 32.83 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1m4p h SER 4 N 0.00 0.00 -0.99 6.55 0.87 -2.02 -3.11 113.55 114.85 1m4p h SER 4 Ca -0.12 0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.80 1m4p h SER 4 Cb 1.31 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.10 1m4p h SER 4 CO 0.01 0.45 0.41 -0.08 -0.53 0.00 0.00 176.83 177.09 1m4p h GLU 5 N 0.00 0.06 -0.38 2.24 4.22 -1.99 1.67 114.58 120.40 1m4p h GLU 5 Ca -0.00 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1m4p h GLU 5 Cb 0.88 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1m4p h GLU 5 CO 0.06 0.04 0.14 1.03 -2.18 0.00 0.00 179.01 178.09 1m4p h SER 6 N 0.06 0.54 1.16 1.04 0.87 -1.82 -2.13 113.55 113.27 1m4p h SER 6 Ca 0.76 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 61.11 1m4p h SER 6 Cb 1.88 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.69 1m4p h SER 6 CO -0.78 0.58 -0.15 -0.61 -0.53 0.00 0.00 176.83 175.34 1m4p h GLN 7 N 0.47 0.00 0.73 2.24 5.75 0.17 -3.25 115.11 121.22 1m4p h GLN 7 Ca 0.13 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 1m4p h GLN 7 Cb 0.22 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.78 1m4p h GLN 7 CO -0.01 0.15 -0.35 1.25 -2.65 0.00 0.00 178.83 177.22 1m4p h LEU 8 N 0.00 -0.83 -1.58 -2.39 5.85 0.20 0.60 115.31 117.17 1m4p h LEU 8 Ca -0.00 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.90 1m4p h LEU 8 Cb 0.77 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1m4p h LEU 8 CO 0.02 -0.57 0.70 0.50 -0.34 0.00 0.00 178.44 178.75 1m4p h LYS 9 N -1.01 0.00 0.15 1.25 3.11 -1.52 1.60 116.57 120.15 1m4p h LYS 9 Ca -0.10 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.42 1m4p h LYS 9 Cb 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 1m4p h LYS 9 CO 0.16 0.00 -1.56 0.87 -2.81 0.00 0.00 179.45 176.11 1m4p h LYS 10 N 0.00 0.32 0.00 1.90 1.57 -1.36 -1.64 116.57 117.36 1m4p h LYS 10 Ca 0.25 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1m4p h LYS 10 Cb 1.65 0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1m4p h LYS 10 CO -0.00 1.21 0.00 -1.33 -0.57 0.00 0.00 179.45 178.76 1m4p n MET 11 N -3.52 0.00 0.00 3.15 2.81 0.54 -4.18 117.12 115.92 1m4p n MET 11 Ca -0.18 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1m4p n MET 11 Cb 1.06 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 1m4p n MET 11 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1m4p n VAL 12 N -1.50 0.00 -2.49 2.03 0.24 -0.76 -4.92 118.33 110.93 1m4p n VAL 12 Ca 0.01 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.23 1m4p n VAL 12 Cb 0.07 -0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1m4p n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4p n SER 13 N -0.39 -2.88 0.00 -1.34 2.88 -0.62 -4.63 113.62 106.64 1m4p n SER 13 Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1m4p n SER 13 Cb 0.00 -2.50 0.00 0.00 -0.75 0.00 0.00 64.21 60.96 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m4p n LYS 14 N -2.72 0.00 -1.06 -1.46 5.02 -1.26 -5.06 118.16 111.62 1m4p n LYS 14 Ca -0.09 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.85 1m4p n LYS 14 Cb 0.57 -0.48 0.02 0.00 -0.02 0.00 0.00 35.03 35.13 1m4p n LYS 14 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1m4p n TYR 15 N -2.46 -3.61 -0.21 2.13 4.01 -1.26 -4.79 117.16 110.97 1m4p n TYR 15 Ca 0.00 0.23 0.01 0.00 -0.16 0.00 0.00 57.90 57.98 1m4p n TYR 15 Cb 0.27 -1.47 0.12 0.00 -0.31 0.00 0.00 39.34 37.94 1m4p n TYR 15 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1m4p h LYS 16 N -0.39 0.36 -2.19 -0.72 1.63 -1.98 -3.23 116.57 110.05 1m4p h LYS 16 Ca -0.39 -0.02 -0.58 0.00 -0.85 0.00 0.00 60.65 58.80 1m4p h LYS 16 Cb 1.29 -0.08 -0.40 0.00 -0.60 0.00 0.00 32.23 32.44 1m4p h LYS 16 CO 0.32 0.24 -0.88 0.66 -3.45 0.00 0.00 179.45 176.34 1m4p n TYR 17 N -5.03 1.24 -0.18 1.91 4.01 -1.26 -4.96 117.16 112.89 1m4p n TYR 17 Ca 0.09 -3.80 -0.06 0.00 -0.16 0.00 0.00 57.90 53.98 1m4p n TYR 17 Cb 0.30 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1m4p n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1m4p h ARG 18 N 4.34 -0.17 0.30 -0.72 3.08 -1.90 1.45 114.38 120.77 1m4p h ARG 18 Ca 0.14 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1m4p h ARG 18 Cb 0.80 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1m4p h ARG 18 CO 0.60 -0.12 -0.34 0.22 -1.07 0.00 0.00 179.97 179.27 1m4p h ASP 19 N -0.18 -0.93 -0.88 7.04 3.58 -1.93 1.13 116.42 124.25 1m4p h ASP 19 Ca 0.22 0.08 0.16 0.00 0.42 0.00 0.00 57.03 57.91 1m4p h ASP 19 Cb 0.54 0.32 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 1m4p h ASP 19 CO -0.64 -0.47 0.57 0.25 -2.88 0.00 0.00 179.24 176.08 1m4p h LEU 20 N -0.68 0.59 0.44 2.28 5.85 -1.60 0.35 115.31 122.53 1m4p h LEU 20 Ca -0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1m4p h LEU 20 Cb 0.63 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1m4p h LEU 20 CO -0.08 0.28 -0.21 0.74 -0.34 0.00 0.00 178.44 178.83 1m4p h THR 21 N 0.61 0.22 -0.94 1.05 2.02 0.33 -1.15 112.91 115.06 1m4p h THR 21 Ca 0.45 -0.59 0.23 0.00 0.77 0.00 0.00 66.41 67.27 1m4p h THR 21 Cb 0.82 0.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1m4p h THR 21 CO -0.20 0.05 0.63 0.58 0.37 0.00 0.00 175.52 176.95 1m4p h VAL 22 N -1.08 0.61 -0.15 3.16 2.07 0.19 0.85 116.25 121.90 1m4p h VAL 22 Ca -0.06 -0.11 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 1m4p h VAL 22 Cb 0.53 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1m4p h VAL 22 CO 0.10 0.06 -0.54 -0.09 0.02 0.00 0.00 177.57 177.11 1m4p h ARG 23 N 0.31 0.44 -0.10 1.57 2.43 -0.26 -0.21 114.38 118.56 1m4p h ARG 23 Ca 0.49 -0.28 -0.21 0.00 -0.81 0.00 0.00 59.98 59.18 1m4p h ARG 23 Cb 1.38 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1m4p h ARG 23 CO -0.16 0.87 -0.77 0.93 -1.51 0.00 0.00 179.97 179.32 1m4p h GLU 24 N 0.34 0.58 0.28 0.20 4.39 0.18 -2.15 114.58 118.40 1m4p h GLU 24 Ca 0.01 -0.48 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 1m4p h GLU 24 Cb 1.06 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1m4p h GLU 24 CO 0.10 1.11 -0.13 1.15 -1.16 0.00 0.00 179.01 180.07 1m4p h THR 25 N 0.39 0.67 -0.86 1.13 2.02 -0.22 -2.57 112.91 113.46 1m4p h THR 25 Ca -0.05 -0.78 0.14 0.00 0.77 0.00 0.00 66.41 66.50 1m4p h THR 25 Cb 1.38 1.03 -0.09 0.00 -1.74 0.00 0.00 68.15 68.73 1m4p h THR 25 CO 0.14 0.14 0.46 -0.37 0.37 0.00 0.00 175.52 176.26 1m4p h VAL 26 N -0.84 0.76 -0.48 3.16 -1.51 -1.12 0.99 116.25 117.20 1m4p h VAL 26 Ca -0.04 -0.23 0.08 0.00 -1.23 0.00 0.00 66.70 65.28 1m4p h VAL 26 Cb 0.51 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.65 1m4p h VAL 26 CO 0.06 0.12 0.12 0.78 -1.23 0.00 0.00 177.57 177.43 1m4p h ASN 27 N 0.67 0.07 0.16 4.19 4.21 -1.36 1.43 115.58 124.95 1m4p h ASN 27 Ca 0.46 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 58.04 1m4p h ASN 27 Cb 0.62 0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1m4p h ASN 27 CO -0.34 0.07 -0.12 0.58 -1.29 0.00 0.00 177.43 176.32 1m4p h VAL 28 N 0.27 0.00 -0.24 2.81 2.07 -0.42 0.25 116.25 120.99 1m4p h VAL 28 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 1m4p h VAL 28 Cb 0.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1m4p h VAL 28 CO -0.28 0.00 0.34 0.16 0.02 0.00 0.00 177.57 177.80 1m4p h ILE 29 N -0.28 0.31 0.00 4.57 3.07 -1.09 1.33 117.51 125.42 1m4p h ILE 29 Ca -0.02 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.39 1m4p h ILE 29 Cb 0.23 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.50 1m4p h ILE 29 CO 0.01 0.00 0.00 0.74 -1.05 0.00 0.00 178.15 177.85 1m4p h THR 30 N 0.00 0.00 0.06 0.16 2.02 0.31 1.25 112.91 116.70 1m4p h THR 30 Ca 0.11 -0.82 -0.37 0.00 0.77 0.00 0.00 66.41 66.11 1m4p h THR 30 Cb 0.79 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1m4p h THR 30 CO -0.00 0.00 -2.17 -0.11 0.37 0.00 0.00 175.52 173.61 1m4p n LEU 31 N -3.05 2.31 -0.09 2.58 7.94 0.43 -4.69 117.00 122.42 1m4p n LEU 31 Ca 0.03 0.09 -0.09 0.00 -1.11 0.00 0.00 56.01 54.93 1m4p n LEU 31 Cb 0.45 -0.75 -0.03 0.00 0.53 0.00 0.00 43.42 43.62 1m4p n LEU 31 CO 0.31 0.80 -0.62 -1.22 -1.11 0.00 0.00 177.39 175.56 1m4p n TYR 32 N -3.28 0.35 -0.90 1.96 4.01 0.46 -4.98 117.16 114.77 1m4p n TYR 32 Ca -0.35 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1m4p n TYR 32 Cb 1.04 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 1m4p n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1m4p n LYS 33 N -4.50 0.00 -0.03 -0.72 4.81 0.43 -4.80 118.16 113.35 1m4p n LYS 33 Ca -0.15 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.31 1m4p n LYS 33 Cb 0.47 -2.30 -0.11 0.00 0.02 0.00 0.00 35.03 33.10 1m4p n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1m4p n ASP 34 N 0.00 1.55 -4.89 3.14 9.92 -1.26 -4.99 116.55 120.01 1m4p n ASP 34 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1m4p n ASP 34 Cb 0.00 1.38 0.03 0.00 -0.64 0.00 0.00 41.12 41.89 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1m4p s LEU 35 N -4.41 3.09 -0.17 0.64 2.96 -1.26 -3.83 118.68 115.69 1m4p s LEU 35 Ca -0.06 1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 54.81 1m4p s LEU 35 Cb 0.08 -3.90 0.06 0.00 0.50 0.00 0.00 46.19 42.92 1m4p s LEU 35 CO 0.61 -1.14 0.40 -0.75 -1.32 0.00 0.00 176.35 174.15 1m4p s LYS 36 N -5.19 0.38 -0.05 1.98 2.20 0.50 -4.82 119.74 114.75 1m4p s LYS 36 Ca 0.56 0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 56.64 1m4p s LYS 36 Cb -0.11 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.15 1m4p s LYS 36 CO 0.50 -0.16 1.21 -1.25 -0.36 0.00 0.00 175.35 175.29 1m4p s PRO 37 N 1.39 4.35 0.22 4.03 0.04 -1.26 -0.47 135.00 143.30 1m4p s PRO 37 Ca -0.09 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1m4p s PRO 37 Cb -0.08 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1m4p s PRO 37 CO -0.12 -0.45 0.02 0.54 0.04 0.00 0.00 177.00 177.03 1m4p s VAL 38 N 2.18 3.71 0.00 -0.36 0.11 0.29 -4.95 120.40 121.38 1m4p s VAL 38 Ca 0.57 -1.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.06 1m4p s VAL 38 Cb -0.25 -2.92 -0.03 0.00 -1.53 0.00 0.00 36.38 31.64 1m4p s VAL 38 CO 0.23 -0.24 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.43 1m4p s LEU 39 N -3.32 2.93 -0.00 2.54 1.98 -1.26 -1.61 118.68 119.94 1m4p s LEU 39 Ca 0.29 -0.23 -0.03 0.00 -2.89 0.00 0.00 54.13 51.27 1m4p s LEU 39 Cb -0.08 -1.68 -0.00 0.00 0.66 0.00 0.00 46.19 45.08 1m4p s LEU 39 CO 0.20 0.29 0.05 1.51 -1.89 0.00 0.00 176.35 176.50 1m4p s ASP 40 N -1.30 0.06 -0.27 3.68 -4.77 0.48 -4.99 116.67 109.57 1m4p s ASP 40 Ca 0.15 -0.17 0.01 0.00 -3.30 0.00 0.00 52.55 49.24 1m4p s ASP 40 Cb -0.11 0.14 0.07 0.00 -1.09 0.00 0.00 42.92 41.93 1m4p s ASP 40 CO 0.06 -0.20 -0.01 -0.55 0.70 0.00 0.00 175.17 175.16 1m4p s SER 41 N -0.82 4.04 0.32 2.11 0.15 -1.26 0.04 113.70 118.27 1m4p s SER 41 Ca -0.09 -1.42 0.05 0.00 0.70 0.00 0.00 55.95 55.18 1m4p s SER 41 Cb -0.05 -1.21 -0.06 0.00 -1.71 0.00 0.00 66.02 62.98 1m4p s SER 41 CO 0.00 -0.29 0.02 -0.47 1.20 0.00 0.00 173.24 173.70 1m4p s TYR 42 N 1.34 2.00 0.25 3.44 6.14 -0.87 -4.84 117.35 124.81 1m4p s TYR 42 Ca -0.00 -0.86 -0.11 0.00 0.64 0.00 0.00 57.07 56.74 1m4p s TYR 42 Cb -0.19 -1.27 -0.08 0.00 0.42 0.00 0.00 41.96 40.85 1m4p s TYR 42 CO -0.09 0.12 0.59 0.14 0.64 0.00 0.00 175.55 176.95 1m4p s VAL 43 N -3.17 4.88 0.15 3.14 -7.23 -1.26 0.18 120.40 117.09 1m4p s VAL 43 Ca 0.34 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 1m4p s VAL 43 Cb 0.07 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.40 1m4p s VAL 43 CO 0.14 -0.11 0.00 0.49 -0.31 0.00 0.00 175.10 175.32 1m4p n PHE 44 N -0.22 -2.59 -1.53 2.82 3.72 -0.74 -4.75 117.46 114.16 1m4p n PHE 44 Ca 0.01 0.45 -0.24 0.00 -0.05 0.00 0.00 57.45 57.62 1m4p n PHE 44 Cb 0.53 1.39 -0.12 0.00 -0.94 0.00 0.00 39.48 40.34 1m4p n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4p n ASN 45 N -2.83 0.78 -2.14 4.37 3.02 -1.23 -1.59 115.26 115.63 1m4p n ASN 45 Ca 0.00 -0.80 -0.04 0.00 -0.03 0.00 0.00 54.58 53.71 1m4p n ASN 45 Cb 0.00 -1.23 -0.01 0.00 -0.61 0.00 0.00 39.78 37.94 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1m4p n ASP 46 N 13.34 -1.81 -0.53 6.41 2.03 -1.26 -0.51 116.55 134.22 1m4p n ASP 46 Ca 0.54 0.32 0.00 0.00 0.52 0.00 0.00 54.79 56.17 1m4p n ASP 46 Cb 0.31 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m4p n GLY 47 N -0.47 0.62 2.96 0.27 0.00 -0.62 -5.10 105.19 102.84 1m4p n GLY 47 Ca -0.05 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4p s SER 48 N -2.09 2.10 0.16 1.61 0.15 0.33 -4.76 113.70 111.21 1m4p s SER 48 Ca 0.00 -0.32 -0.32 0.00 0.70 0.00 0.00 55.95 56.01 1m4p s SER 48 Cb 0.00 -0.88 -0.17 0.00 -1.71 0.00 0.00 66.02 63.26 1m4p s SER 48 CO 0.00 -0.06 0.86 -1.54 1.20 0.00 0.00 173.24 173.70 1m4p n SER 49 N 4.52 -0.03 -3.75 5.45 3.41 -1.26 -1.79 113.62 120.17 1m4p n SER 49 Ca -0.17 1.15 -0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1m4p n SER 49 Cb 0.51 -1.05 -0.11 0.00 -0.26 0.00 0.00 64.21 63.29 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4p s ARG 50 N -0.71 0.35 0.13 4.33 3.00 0.49 -4.85 118.95 121.70 1m4p s ARG 50 Ca 0.71 0.51 -0.30 0.00 -1.00 0.00 0.00 55.73 55.65 1m4p s ARG 50 Cb -0.95 0.11 -0.07 0.00 0.00 0.00 0.00 34.95 34.03 1m4p s ARG 50 CO 0.56 -0.08 1.27 -1.21 0.00 0.00 0.00 175.30 175.84 1m4p s GLU 51 N 0.51 4.41 -0.02 5.12 8.01 -1.26 -2.05 118.70 133.42 1m4p s GLU 51 Ca -0.03 1.94 -0.00 0.00 0.01 0.00 0.00 54.97 56.89 1m4p s GLU 51 Cb -0.04 -3.26 0.02 0.00 -4.31 0.00 0.00 34.13 26.54 1m4p s GLU 51 CO -0.03 -0.26 0.03 -1.17 0.01 0.00 0.00 175.26 173.84 1m4p s LEU 52 N 0.51 1.25 0.52 1.80 0.20 0.11 -4.98 118.68 118.09 1m4p s LEU 52 Ca 0.58 0.05 0.02 0.00 0.69 0.00 0.00 54.13 55.47 1m4p s LEU 52 Cb -0.34 -0.02 0.03 0.00 -0.43 0.00 0.00 46.19 45.42 1m4p s LEU 52 CO 0.33 -0.10 0.74 -0.32 -0.29 0.00 0.00 176.35 176.71 1m4p s MET 53 N 0.84 2.66 -0.20 1.98 1.75 -1.26 -0.39 119.30 124.68 1m4p s MET 53 Ca -0.07 -0.77 -0.30 0.00 -1.25 0.00 0.00 55.69 53.30 1m4p s MET 53 Cb -0.10 -2.52 0.15 0.00 2.84 0.00 0.00 34.83 35.19 1m4p s MET 53 CO -0.02 -0.60 1.11 0.54 -0.65 0.00 0.00 175.02 175.40 1m4p s ASN 54 N -4.38 -0.26 -0.04 1.11 4.22 -0.63 -1.63 114.94 113.33 1m4p s ASN 54 Ca 0.55 0.28 -0.04 0.00 -2.14 0.00 0.00 52.86 51.52 1m4p s ASN 54 Cb -0.10 0.22 -0.04 0.00 1.28 0.00 0.00 41.25 42.60 1m4p s ASN 54 CO 0.38 -0.25 0.16 -0.76 -2.04 0.00 0.00 177.10 174.59 1m4p s LEU 55 N -1.11 4.33 0.02 3.54 2.01 -0.82 0.10 118.68 126.76 1m4p s LEU 55 Ca 0.02 0.36 -0.17 0.00 0.01 0.00 0.00 54.13 54.35 1m4p s LEU 55 Cb -0.01 -2.45 0.03 0.00 0.01 0.00 0.00 46.19 43.78 1m4p s LEU 55 CO -0.02 0.30 0.38 0.28 1.01 0.00 0.00 176.35 178.30 1m4p s THR 56 N -1.24 0.06 0.00 5.49 -1.32 0.38 -2.36 115.64 116.65 1m4p s THR 56 Ca 0.24 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1m4p s THR 56 Cb -0.12 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1m4p s THR 56 CO 0.15 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1m4p n GLY 57 N 0.77 2.84 3.51 6.08 0.00 -1.14 0.19 105.19 117.45 1m4p n GLY 57 Ca -0.19 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1m4p n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4p s THR 58 N -1.94 5.18 0.26 2.61 -4.23 -1.25 -1.77 115.64 114.50 1m4p s THR 58 Ca 0.00 -0.22 -0.27 0.00 -1.18 0.00 0.00 61.69 60.02 1m4p s THR 58 Cb 0.00 -3.88 -0.09 0.00 1.34 0.00 0.00 72.50 69.87 1m4p s THR 58 CO 0.00 -0.21 0.90 -0.63 -0.54 0.00 0.00 174.62 174.15 1m4p s ILE 59 N 1.95 4.21 -0.93 2.99 1.01 0.96 -4.62 121.20 126.77 1m4p s ILE 59 Ca 0.10 1.86 -0.24 0.00 0.00 0.00 0.00 60.65 62.37 1m4p s ILE 59 Cb -0.17 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1m4p s ILE 59 CO 0.12 0.34 1.68 -2.16 0.00 0.00 0.00 174.94 174.91 1m4p s PRO 60 N -1.59 3.07 -0.36 2.79 0.04 -1.26 -0.79 135.00 136.90 1m4p s PRO 60 Ca 0.44 -0.61 -0.28 0.00 0.04 0.00 0.00 61.00 60.60 1m4p s PRO 60 Cb -0.22 -5.10 0.02 0.00 0.04 0.00 0.00 34.50 29.24 1m4p s PRO 60 CO 0.27 -2.73 1.03 0.08 0.04 0.00 0.00 177.00 175.69 1m4p s VAL 61 N 7.45 4.49 0.68 -0.36 1.01 0.16 -4.83 120.40 129.00 1m4p s VAL 61 Ca 0.57 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.90 1m4p s VAL 61 Cb -0.04 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1m4p s VAL 61 CO -0.03 -0.58 1.06 -2.16 0.00 0.00 0.00 175.10 173.39 1m4p s PRO 62 N 3.71 2.98 0.00 2.72 0.04 -1.26 0.24 135.00 143.44 1m4p s PRO 62 Ca 0.43 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1m4p s PRO 62 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1m4p s PRO 62 CO 0.19 -1.06 0.00 0.98 0.04 0.00 0.00 177.00 177.15 1m4p n TYR 63 N -2.99 0.00 0.43 0.56 9.36 0.44 -4.79 117.16 120.17 1m4p n TYR 63 Ca 0.08 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.38 1m4p n TYR 63 Cb 0.53 0.00 0.35 0.00 -0.63 0.00 0.00 39.34 39.59 1m4p n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4p n ARG 64 N 0.00 0.06 0.00 2.98 5.12 -1.26 -4.06 116.66 119.50 1m4p n ARG 64 Ca 0.00 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 1m4p n ARG 64 Cb 0.00 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m4p n GLY 65 N -0.12 0.00 2.72 -0.13 0.00 -1.26 -5.16 105.19 101.23 1m4p n GLY 65 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1m4p n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4p n ASN 66 N 0.00 -1.47 -3.21 1.61 3.02 -1.26 -5.15 115.26 108.81 1m4p n ASN 66 Ca 0.00 -1.92 -0.00 0.00 -0.03 0.00 0.00 54.58 52.63 1m4p n ASN 66 Cb 0.00 2.42 -0.03 0.00 -0.61 0.00 0.00 39.78 41.56 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1m4p s THR 67 N -2.29 -0.87 0.32 3.41 2.01 -1.26 0.17 115.64 117.12 1m4p s THR 67 Ca 0.14 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1m4p s THR 67 Cb -0.03 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.57 1m4p s THR 67 CO 0.06 -0.07 0.43 -1.22 -0.69 0.00 0.00 174.62 173.14 1m4p n TYR 68 N 5.40 -3.13 -4.00 4.92 4.02 0.14 -4.78 117.16 119.72 1m4p n TYR 68 Ca 0.01 -0.80 -0.30 0.00 -0.01 0.00 0.00 57.90 56.80 1m4p n TYR 68 Cb 0.52 -0.31 -0.16 0.00 -0.02 0.00 0.00 39.34 39.36 1m4p n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4p s ASN 69 N -2.78 3.07 -0.15 7.72 0.01 -1.26 0.40 114.94 121.96 1m4p s ASN 69 Ca 0.29 -0.71 -0.02 0.00 -0.71 0.00 0.00 52.86 51.71 1m4p s ASN 69 Cb -0.02 -1.20 -0.02 0.00 0.41 0.00 0.00 41.25 40.42 1m4p s ASN 69 CO 0.19 -0.11 -0.09 -0.51 -1.51 0.00 0.00 177.10 175.08 1m4p s ILE 70 N 1.44 3.43 0.39 0.60 1.10 0.03 -4.82 121.20 123.37 1m4p s ILE 70 Ca 0.02 -0.52 -0.24 0.00 -0.51 0.00 0.00 60.65 59.39 1m4p s ILE 70 Cb -0.15 -2.48 -0.09 0.00 0.15 0.00 0.00 42.46 39.90 1m4p s ILE 70 CO -0.09 0.50 1.06 -2.16 -2.11 0.00 0.00 174.94 172.14 1m4p s PRO 71 N 0.43 4.18 -0.12 3.50 0.04 -1.26 -0.03 135.00 141.74 1m4p s PRO 71 Ca -0.07 1.53 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 1m4p s PRO 71 Cb -0.15 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 31.86 1m4p s PRO 71 CO 0.04 -0.13 0.45 0.42 0.04 0.00 0.00 177.00 177.82 1m4p s ILE 72 N -1.63 0.01 -0.06 0.56 1.01 -0.73 -3.41 121.20 116.96 1m4p s ILE 72 Ca 0.57 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1m4p s ILE 72 Cb -0.23 -0.68 0.03 0.00 0.01 0.00 0.00 42.46 41.59 1m4p s ILE 72 CO 0.28 -0.06 0.13 0.00 0.00 0.00 0.00 174.94 175.29 1m4p s LEU 74 N 0.83 1.56 0.00 0.00 -0.00 -1.00 -2.27 118.68 117.80 1m4p s LEU 74 Ca -0.06 0.05 -0.24 0.00 -0.00 0.00 0.00 54.13 53.88 1m4p s LEU 74 Cb -0.08 0.52 -0.05 0.00 -0.00 0.00 0.00 46.19 46.58 1m4p s LEU 74 CO -0.04 -0.18 0.71 0.26 -0.00 0.00 0.00 176.35 177.10 1m4p s TRP 75 N -0.57 3.68 -0.38 3.48 0.52 -0.59 -1.94 118.94 123.14 1m4p s TRP 75 Ca -0.07 1.35 -0.15 0.00 0.02 0.00 0.00 56.10 57.26 1m4p s TRP 75 Cb -0.04 -2.77 0.00 0.00 -1.15 0.00 0.00 33.47 29.51 1m4p s TRP 75 CO 0.01 0.24 0.32 -1.17 0.02 0.00 0.00 176.95 176.36 1m4p s LEU 76 N 0.16 4.80 0.00 2.99 2.96 -0.64 -4.57 118.68 124.38 1m4p s LEU 76 Ca 0.37 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1m4p s LEU 76 Cb -0.19 -2.22 0.12 0.00 0.50 0.00 0.00 46.19 44.40 1m4p s LEU 76 CO 0.20 -0.39 0.36 0.18 -1.32 0.00 0.00 176.35 175.38 1m4p n LEU 77 N 5.25 0.00 0.01 -0.68 4.77 -1.26 -4.21 117.00 120.88 1m4p n LEU 77 Ca -0.11 -0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 55.46 1m4p n LEU 77 Cb 0.48 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1m4p n LEU 77 CO 0.41 -1.59 0.09 -2.24 -1.33 0.00 0.00 177.39 172.72 1m4p h ASP 78 N -1.92 -0.12 0.00 -1.43 2.03 -1.99 -3.47 116.42 109.53 1m4p h ASP 78 Ca -0.14 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 1m4p h ASP 78 Cb 0.45 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1m4p h ASP 78 CO 0.09 0.39 0.00 1.07 -1.03 0.00 0.00 179.24 179.76 1m4p n THR 79 N -4.87 0.00 -3.58 1.15 5.66 -1.26 -4.49 114.28 106.89 1m4p n THR 79 Ca -0.02 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.81 1m4p n THR 79 Cb 0.09 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.80 1m4p n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4p s TYR 80 N 0.00 -0.55 -0.13 1.09 6.14 -1.26 -4.46 117.35 118.18 1m4p s TYR 80 Ca 0.00 0.94 0.27 0.00 0.64 0.00 0.00 57.07 58.92 1m4p s TYR 80 Cb 0.00 0.33 0.80 0.00 0.42 0.00 0.00 41.96 43.51 1m4p s TYR 80 CO 0.00 -0.55 1.77 -1.00 0.64 0.00 0.00 175.55 176.41 1m4p h PRO 81 N 3.24 0.00 0.00 4.97 0.13 -2.01 -3.42 132.00 134.91 1m4p h PRO 81 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1m4p h PRO 81 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1m4p h PRO 81 CO 0.39 0.07 0.00 0.66 -0.23 0.00 0.00 178.00 178.89 1m4p n TYR 82 N -3.15 -0.35 -3.98 1.56 4.01 -1.26 -5.15 117.16 108.83 1m4p n TYR 82 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 1m4p n TYR 82 Cb 0.45 0.07 -0.08 0.00 -0.31 0.00 0.00 39.34 39.47 1m4p n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1m4p s ASN 83 N -1.17 0.14 -0.31 7.72 -0.87 -1.26 -4.98 114.94 114.22 1m4p s ASN 83 Ca 0.00 -0.90 -0.29 0.00 -1.57 0.00 0.00 52.86 50.10 1m4p s ASN 83 Cb 0.00 0.37 -0.00 0.00 -0.02 0.00 0.00 41.25 41.60 1m4p s ASN 83 CO 0.00 -0.80 1.35 -2.16 -2.57 0.00 0.00 177.10 172.92 1m4p s PRO 84 N -3.96 3.84 0.38 -0.60 0.04 -1.26 -4.87 135.00 128.57 1m4p s PRO 84 Ca 0.15 1.23 0.27 0.00 0.04 0.00 0.00 61.00 62.69 1m4p s PRO 84 Cb 0.05 -3.92 0.88 0.00 0.04 0.00 0.00 34.50 31.54 1m4p s PRO 84 CO -0.03 -1.22 1.78 -1.00 0.04 0.00 0.00 177.00 176.57 1m4p h PRO 85 N 9.69 0.00 -5.44 0.56 0.13 -1.93 -3.39 132.00 131.62 1m4p h PRO 85 Ca -0.27 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.20 1m4p h PRO 85 Cb 1.10 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 1m4p h PRO 85 CO 1.04 0.00 1.08 0.42 -0.23 0.00 0.00 178.00 180.31 1m4p s ILE 86 N -3.34 4.42 -0.32 -3.56 1.01 -1.26 -4.90 121.20 113.24 1m4p s ILE 86 Ca 0.06 -1.25 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 1m4p s ILE 86 Cb 0.09 -4.88 0.11 0.00 0.01 0.00 0.00 42.46 37.78 1m4p s ILE 86 CO 0.56 -1.67 0.13 0.00 0.00 0.00 0.00 174.94 173.96 1m4p s PHE 88 N 1.60 1.57 0.25 0.00 -0.12 -0.96 -3.32 117.98 117.00 1m4p s PHE 88 Ca 0.11 -0.56 -0.20 0.00 -0.05 0.00 0.00 56.93 56.23 1m4p s PHE 88 Cb -0.18 -0.78 -0.09 0.00 -0.63 0.00 0.00 43.02 41.34 1m4p s PHE 88 CO -0.24 0.24 0.76 0.54 -0.05 0.00 0.00 175.22 176.47 1m4p s VAL 89 N -2.47 4.54 -0.71 -2.49 0.11 0.10 -1.65 120.40 117.82 1m4p s VAL 89 Ca 0.15 1.31 0.05 0.00 -2.93 0.00 0.00 61.98 60.56 1m4p s VAL 89 Cb -0.03 -3.84 0.18 0.00 -1.53 0.00 0.00 36.38 31.16 1m4p s VAL 89 CO 0.05 0.14 0.53 2.29 -3.33 0.00 0.00 175.10 174.78 1m4p n LYS 90 N 0.54 1.93 -1.55 1.54 2.85 -1.22 -4.68 118.16 117.57 1m4p n LYS 90 Ca -0.01 -4.51 -0.30 0.00 -1.05 0.00 0.00 58.31 52.44 1m4p n LYS 90 Cb 0.51 -2.29 0.09 0.00 -0.65 0.00 0.00 35.03 32.69 1m4p n LYS 90 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1m4p s PRO 91 N -1.56 2.14 0.00 -1.58 0.04 -1.26 -4.58 135.00 128.19 1m4p s PRO 91 Ca 0.26 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1m4p s PRO 91 Cb -0.03 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1m4p s PRO 91 CO -0.16 -1.59 0.00 0.25 0.04 0.00 0.00 177.00 175.54 1m4p n THR 92 N -3.41 0.00 0.13 1.26 -2.24 -1.26 -5.02 114.28 103.74 1m4p n THR 92 Ca 0.07 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.89 1m4p n THR 92 Cb 0.56 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1m4p n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1m4p n SER 93 N 0.00 2.17 -0.82 3.42 7.64 -1.26 -4.41 113.62 120.36 1m4p n SER 93 Ca 0.00 -0.24 0.10 0.00 1.01 0.00 0.00 58.87 59.74 1m4p n SER 93 Cb 0.00 1.24 0.29 0.00 -1.01 0.00 0.00 64.21 64.72 1m4p n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1m4p n SER 94 N -1.57 2.44 -1.92 6.43 2.88 -1.26 -4.91 113.62 115.72 1m4p n SER 94 Ca -0.00 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.67 1m4p n SER 94 Cb 0.18 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1m4p n SER 94 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1m4p n MET 95 N 0.83 0.89 -3.34 -1.46 2.00 -1.26 -4.43 117.12 110.36 1m4p n MET 95 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.74 1m4p n MET 95 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.59 1m4p n MET 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1m4p s THR 96 N 0.63 -0.51 0.36 2.03 2.01 -1.23 -4.91 115.64 114.02 1m4p s THR 96 Ca 0.00 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1m4p s THR 96 Cb 0.00 -0.80 -0.11 0.00 0.01 0.00 0.00 72.50 71.61 1m4p s THR 96 CO 0.00 -0.41 1.41 -0.51 -0.69 0.00 0.00 174.62 174.43 1m4p s ILE 97 N 2.05 2.32 -0.19 1.82 2.07 -1.26 -3.39 121.20 124.62 1m4p s ILE 97 Ca 0.13 0.33 -0.03 0.00 -1.41 0.00 0.00 60.65 59.67 1m4p s ILE 97 Cb -0.13 -3.21 -0.01 0.00 0.13 0.00 0.00 42.46 39.24 1m4p s ILE 97 CO -0.19 0.08 -0.07 -0.75 -1.91 0.00 0.00 174.94 172.09 1m4p s LYS 98 N -1.96 3.39 0.27 3.50 2.36 -1.20 -4.96 119.74 121.14 1m4p s LYS 98 Ca 0.51 -0.64 -0.29 0.00 -2.55 0.00 0.00 55.97 53.00 1m4p s LYS 98 Cb -0.44 -2.89 -0.09 0.00 -1.05 0.00 0.00 37.83 33.36 1m4p s LYS 98 CO 0.59 -0.06 1.04 0.95 1.55 0.00 0.00 175.35 179.42 1m4p s THR 99 N 1.09 3.70 0.00 3.43 -4.23 -1.26 -4.64 115.64 113.72 1m4p s THR 99 Ca 0.01 1.70 0.00 0.00 -1.18 0.00 0.00 61.69 62.22 1m4p s THR 99 Cb -0.15 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.62 1m4p s THR 99 CO -0.01 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 1m4p n GLY 100 N 1.27 2.64 0.17 3.99 0.00 0.43 -4.94 105.19 108.75 1m4p n GLY 100 Ca -0.01 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.51 1m4p n GLY 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1m4p h LYS 101 N 0.00 0.00 0.06 1.61 2.10 -1.99 -3.32 116.57 115.02 1m4p h LYS 101 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.28 1m4p h LYS 101 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1m4p h LYS 101 CO 0.00 0.08 -2.18 0.72 -2.00 0.00 0.00 179.45 176.07 1m4p n HIS 102 N -2.96 0.67 -4.56 0.07 8.25 -1.26 -4.34 115.22 111.09 1m4p n HIS 102 Ca 0.02 0.16 -0.29 0.00 -0.26 0.00 0.00 57.72 57.34 1m4p n HIS 102 Cb 0.58 -1.09 -0.13 0.00 1.12 0.00 0.00 29.99 30.46 1m4p n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4p s VAL 103 N -2.54 2.31 -0.17 1.59 1.01 -1.25 0.18 120.40 121.53 1m4p s VAL 103 Ca -0.24 -1.59 -0.12 0.00 0.00 0.00 0.00 61.98 60.03 1m4p s VAL 103 Cb 0.08 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 1m4p s VAL 103 CO 0.72 0.19 -0.27 -0.67 0.00 0.00 0.00 175.10 175.07 1m4p n ASP 104 N 1.20 1.61 0.00 3.32 -0.08 -1.26 0.16 116.55 121.51 1m4p n ASP 104 Ca -0.17 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1m4p n ASP 104 Cb 0.53 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m4p n ALA 105 N -4.08 0.00 0.96 -1.67 0.00 -1.26 -4.41 120.51 110.04 1m4p n ALA 105 Ca -0.29 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.27 1m4p n ALA 105 Cb 0.63 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.62 1m4p n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4p n ASN 106 N 0.00 0.00 0.00 0.00 4.13 -1.26 -4.85 115.26 113.28 1m4p n ASN 106 Ca 0.00 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1m4p n ASN 106 Cb 0.00 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4p n GLY 107 N 0.76 0.54 3.64 7.41 0.00 -1.26 -4.82 105.19 111.46 1m4p n GLY 107 Ca 0.09 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1m4p n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4p s LYS 108 N -2.15 4.15 0.22 1.61 -2.85 -1.26 0.03 119.74 119.49 1m4p s LYS 108 Ca 0.00 0.52 -0.32 0.00 -1.00 0.00 0.00 55.97 55.18 1m4p s LYS 108 Cb 0.00 -3.61 -0.12 0.00 -2.06 0.00 0.00 37.83 32.04 1m4p s LYS 108 CO 0.00 -0.31 1.70 0.42 0.10 0.00 0.00 175.35 177.26 1m4p s ILE 109 N 2.17 2.03 0.00 3.79 1.01 -1.21 -4.06 121.20 124.92 1m4p s ILE 109 Ca 0.26 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1m4p s ILE 109 Cb -0.16 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1m4p s ILE 109 CO 0.09 0.00 0.00 -1.22 0.00 0.00 0.00 174.94 173.81 1m4p n TYR 110 N 3.66 -0.69 -0.88 3.97 4.02 0.48 -4.95 117.16 122.77 1m4p n TYR 110 Ca 0.15 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.14 1m4p n TYR 110 Cb 0.36 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.62 1m4p n TYR 110 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1m4p n LEU 111 N 0.00 -0.64 -0.02 7.72 4.77 -1.26 -4.73 117.00 122.85 1m4p n LEU 111 Ca 0.00 1.49 -0.16 0.00 -0.03 0.00 0.00 56.01 57.31 1m4p n LEU 111 Cb 0.00 -1.85 -0.10 0.00 -2.33 0.00 0.00 43.42 39.13 1m4p n LEU 111 CO 0.00 -1.30 0.35 1.55 -1.33 0.00 0.00 177.39 176.67 1m4p h PRO 112 N -0.86 0.34 0.00 3.23 0.13 -1.95 -3.46 132.00 129.42 1m4p h PRO 112 Ca -0.12 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1m4p h PRO 112 Cb 0.84 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1m4p h PRO 112 CO 0.05 0.99 0.00 0.66 -0.23 0.00 0.00 178.00 179.47 1m4p n TYR 113 N -4.36 0.00 -0.07 1.56 4.02 -1.26 -2.98 117.16 114.07 1m4p n TYR 113 Ca -0.09 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.90 1m4p n TYR 113 Cb 0.57 0.00 0.49 0.00 -0.02 0.00 0.00 39.34 40.38 1m4p n TYR 113 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1m4p h LEU 114 N 0.00 0.39 -3.57 7.72 5.85 -1.96 0.52 115.31 124.25 1m4p h LEU 114 Ca 0.00 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 1m4p h LEU 114 Cb 0.00 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 40.85 1m4p h LEU 114 CO 0.00 0.24 0.22 1.57 -0.34 0.00 0.00 178.44 180.13 1m4p n HIS 115 N -4.47 2.29 0.00 1.25 -0.00 -1.16 -4.11 115.22 109.02 1m4p n HIS 115 Ca 0.09 -1.06 0.00 0.00 0.46 0.00 0.00 57.72 57.21 1m4p n HIS 115 Cb 0.33 -0.64 0.00 0.00 -0.12 0.00 0.00 29.99 29.56 1m4p n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4p n GLU 116 N 0.02 0.00 0.00 1.57 2.13 0.17 -4.94 120.64 119.58 1m4p n GLU 116 Ca 0.37 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1m4p n GLU 116 Cb 1.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 33.02 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4p n TRP 117 N -2.23 0.00 -4.45 4.31 -0.00 -0.32 -4.82 117.44 109.92 1m4p n TRP 117 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.10 1m4p n TRP 117 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 1m4p n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1m4p n LYS 118 N -0.43 -1.16 -0.21 5.87 2.85 -1.26 -4.77 118.16 119.05 1m4p n LYS 118 Ca 0.00 0.17 0.01 0.00 -1.05 0.00 0.00 58.31 57.45 1m4p n LYS 118 Cb 0.00 -4.60 0.12 0.00 -0.65 0.00 0.00 35.03 29.90 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4p h HIS 119 N -1.12 0.32 -0.00 5.58 2.76 -1.94 -3.45 115.15 117.29 1m4p h HIS 119 Ca -0.61 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.58 1m4p h HIS 119 Cb 1.39 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.31 1m4p h HIS 119 CO 0.67 0.02 -0.07 -1.00 -1.30 0.00 0.00 177.93 176.25 1m4p h PRO 120 N 0.34 0.05 0.00 5.26 0.13 -2.02 -3.49 132.00 132.26 1m4p h PRO 120 Ca 0.33 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1m4p h PRO 120 Cb 0.47 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1m4p h PRO 120 CO -0.38 0.79 0.00 0.94 -0.23 0.00 0.00 178.00 179.12 1m4p n GLN 121 N -4.67 0.00 -0.77 0.86 0.00 -1.26 -4.81 117.38 106.73 1m4p n GLN 121 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 57.00 56.58 1m4p n GLN 121 Cb 0.40 0.00 0.13 0.00 0.00 0.00 0.00 30.24 30.77 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4p n SER 122 N 0.55 -2.05 -4.30 1.69 2.88 -1.26 -5.03 113.62 106.10 1m4p n SER 122 Ca 0.00 0.27 -0.16 0.00 -1.33 0.00 0.00 58.87 57.65 1m4p n SER 122 Cb 0.00 -1.19 -0.10 0.00 -0.75 0.00 0.00 64.21 62.17 1m4p n SER 122 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1m4p s ASP 123 N -2.02 1.24 0.34 -3.46 1.01 -1.26 -4.94 116.67 107.58 1m4p s ASP 123 Ca 0.57 -1.34 0.14 0.00 0.71 0.00 0.00 52.55 52.63 1m4p s ASP 123 Cb -0.20 0.14 1.12 0.00 1.01 0.00 0.00 42.92 44.99 1m4p s ASP 123 CO 0.67 -0.69 1.59 0.25 0.21 0.00 0.00 175.17 177.20 1m4p h LEU 124 N 2.44 0.10 -0.10 1.23 7.12 -1.95 1.45 115.31 125.60 1m4p h LEU 124 Ca -0.38 0.25 -0.02 0.00 0.13 0.00 0.00 57.88 57.87 1m4p h LEU 124 Cb 1.24 0.31 -0.00 0.00 -0.53 0.00 0.00 40.66 41.68 1m4p h LEU 124 CO 0.61 -0.36 -0.01 -0.07 -0.13 0.00 0.00 178.44 178.48 1m4p h LEU 125 N 0.05 0.18 -1.35 2.25 4.07 -1.95 -2.72 115.31 115.84 1m4p h LEU 125 Ca 0.75 -0.34 0.08 0.00 0.08 0.00 0.00 57.88 58.45 1m4p h LEU 125 Cb 1.83 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 43.47 1m4p h LEU 125 CO -0.79 0.48 0.50 1.23 -1.08 0.00 0.00 178.44 178.78 1m4p h GLY 126 N -0.12 1.01 0.86 0.83 0.00 0.13 0.19 103.07 105.97 1m4p h GLY 126 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1m4p h GLY 126 CO 0.01 0.20 -0.39 -2.00 0.00 0.00 0.00 176.54 174.36 1m4p h LEU 127 N 0.75 -0.98 -1.23 3.11 6.46 0.21 0.38 115.31 124.02 1m4p h LEU 127 Ca 0.34 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1m4p h LEU 127 Cb 0.34 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1m4p h LEU 127 CO -0.12 -0.62 0.00 0.40 -0.62 0.00 0.00 178.44 177.48 1m4p h ILE 128 N -0.98 0.00 0.17 4.05 5.03 -1.12 -1.89 117.51 122.76 1m4p h ILE 128 Ca -0.08 -0.17 -0.30 0.00 -0.12 0.00 0.00 64.86 64.19 1m4p h ILE 128 Cb 0.79 0.87 0.03 0.00 -3.03 0.00 0.00 36.82 35.48 1m4p h ILE 128 CO 0.09 0.00 -1.26 -0.61 -0.68 0.00 0.00 178.15 175.69 1m4p h GLN 129 N 0.00 0.56 -0.21 2.37 4.15 0.87 -2.44 115.11 120.42 1m4p h GLN 129 Ca 0.00 -0.83 -0.00 0.00 0.77 0.00 0.00 58.65 58.59 1m4p h GLN 129 Cb 0.23 0.29 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1m4p h GLN 129 CO 0.00 1.38 0.12 0.28 -1.93 0.00 0.00 178.83 178.68 1m4p h VAL 130 N 0.15 1.10 -0.49 2.39 2.07 0.52 -0.62 116.25 121.36 1m4p h VAL 130 Ca -0.20 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1m4p h VAL 130 Cb 1.96 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1m4p h VAL 130 CO 0.24 0.09 0.16 0.00 0.02 0.00 0.00 177.57 178.08 1m4p h MET 131 N 0.24 0.72 -0.14 1.57 -0.00 -1.59 -1.39 114.93 114.34 1m4p h MET 131 Ca 0.07 -0.12 -0.07 0.00 -0.00 0.00 0.00 59.70 59.58 1m4p h MET 131 Cb 0.04 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 31.51 1m4p h MET 131 CO -0.01 0.63 -0.22 0.82 -0.00 0.00 0.00 176.91 178.13 1m4p h ILE 132 N 0.71 1.22 -0.19 -0.10 2.04 -0.91 1.42 117.51 121.70 1m4p h ILE 132 Ca 0.17 -1.03 -0.15 0.00 1.00 0.00 0.00 64.86 64.85 1m4p h ILE 132 Cb 0.21 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1m4p h ILE 132 CO -0.01 0.31 -0.50 0.58 0.00 0.00 0.00 178.15 178.53 1m4p h VAL 133 N 0.22 1.32 0.21 1.67 2.07 -0.08 0.11 116.25 121.78 1m4p h VAL 133 Ca 0.04 -1.73 -0.31 0.00 0.82 0.00 0.00 66.70 65.52 1m4p h VAL 133 Cb 0.52 1.71 0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1m4p h VAL 133 CO 0.04 0.54 -1.42 0.58 0.02 0.00 0.00 177.57 177.32 1m4p h VAL 134 N 0.41 1.23 0.00 2.57 2.07 -0.63 -2.68 116.25 119.22 1m4p h VAL 134 Ca 0.02 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1m4p h VAL 134 Cb 1.02 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 1m4p h VAL 134 CO 0.09 0.80 0.00 0.49 0.02 0.00 0.00 177.57 178.97 1m4p n PHE 135 N -3.78 0.00 -0.08 1.57 3.01 0.48 -1.77 117.46 116.89 1m4p n PHE 135 Ca -0.19 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.16 1m4p n PHE 135 Cb 1.04 -0.41 -0.15 0.00 -0.01 0.00 0.00 39.48 39.95 1m4p n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m4p n GLY 136 N 0.50 -0.89 0.09 1.37 0.00 0.38 -4.49 105.19 102.14 1m4p n GLY 136 Ca 0.07 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1m4p n GLY 136 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m4p h ASP 137 N 0.00 -0.06 -2.95 1.61 3.32 -1.25 -3.45 116.42 113.64 1m4p h ASP 137 Ca -0.48 -0.46 -0.61 0.00 0.02 0.00 0.00 57.03 55.50 1m4p h ASP 137 Cb 2.14 0.02 -0.11 0.00 0.22 0.00 0.00 39.33 41.59 1m4p h ASP 137 CO 0.03 0.63 -0.66 -1.83 -1.72 0.00 0.00 179.24 175.69 1m4p s GLU 138 N -2.37 2.44 -0.33 3.56 -1.05 -0.73 -5.07 118.70 115.14 1m4p s GLU 138 Ca -0.11 -1.06 -0.29 0.00 -0.15 0.00 0.00 54.97 53.36 1m4p s GLU 138 Cb -0.01 -2.39 0.00 0.00 -0.44 0.00 0.00 34.13 31.29 1m4p s GLU 138 CO 0.39 0.47 1.36 -1.25 0.95 0.00 0.00 175.26 177.18 1m4p s PRO 139 N -2.85 3.79 0.28 -4.83 0.04 -1.26 -4.34 135.00 125.83 1m4p s PRO 139 Ca 0.27 1.17 0.14 0.00 0.04 0.00 0.00 61.00 62.62 1m4p s PRO 139 Cb -0.10 -3.94 0.32 0.00 0.04 0.00 0.00 34.50 30.82 1m4p s PRO 139 CO 0.19 -1.29 1.57 -1.00 0.04 0.00 0.00 177.00 176.51 1m4p h PRO 140 N 9.88 0.00 0.00 0.56 0.13 -1.89 -3.41 132.00 137.27 1m4p h PRO 140 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1m4p h PRO 140 Cb 1.10 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1m4p h PRO 140 CO 1.05 0.58 -0.02 1.55 -0.23 0.00 0.00 178.00 180.93 1m4p n VAL 141 N -3.52 0.00 -1.65 1.56 3.14 -1.26 -3.24 118.33 113.35 1m4p n VAL 141 Ca -0.00 -0.90 -0.47 0.00 -2.96 0.00 0.00 64.34 60.01 1m4p n VAL 141 Cb 0.66 0.95 -0.04 0.00 -1.06 0.00 0.00 33.84 34.34 1m4p n VAL 141 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1m4p n PHE 142 N -0.05 2.14 -2.12 1.45 -1.74 -1.22 -4.01 117.46 111.91 1m4p n PHE 142 Ca -0.11 0.34 -0.27 0.00 -0.56 0.00 0.00 57.45 56.84 1m4p n PHE 142 Cb 0.72 -2.50 0.11 0.00 1.52 0.00 0.00 39.48 39.33 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1m4p s SER 143 N 0.82 4.16 0.22 5.98 0.15 -1.26 -3.48 113.70 120.29 1m4p s SER 143 Ca 0.80 0.34 0.08 0.00 0.70 0.00 0.00 55.95 57.86 1m4p s SER 143 Cb -0.73 -0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 1m4p s SER 143 CO 0.40 -2.05 0.07 -0.13 1.20 0.00 0.00 173.24 172.73 1m4p s ARG 144 N -5.49 2.58 0.00 5.44 0.52 -1.26 -4.94 118.95 115.79 1m4p s ARG 144 Ca 0.66 -1.15 0.24 0.00 -0.52 0.00 0.00 55.73 54.96 1m4p s ARG 144 Cb -0.08 -2.40 1.43 0.00 0.52 0.00 0.00 34.95 34.43 1m4p s ARG 144 CO 0.48 0.42 1.80 -0.35 0.02 0.00 0.00 175.30 177.66