#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 0.64 -0.33 0.00 3.14 -1.26 -4.40 118.33 116.12 1m4p n VAL 3 Ca 0.00 -0.82 0.11 0.00 -2.96 0.00 0.00 64.34 60.67 1m4p n VAL 3 Cb 0.00 0.86 0.29 0.00 -1.06 0.00 0.00 33.84 33.93 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 4.49 0.66 -1.00 6.55 0.87 -1.99 0.08 113.55 123.22 1m4p h SER 4 Ca 0.00 0.10 0.33 0.00 -1.23 0.00 0.00 61.79 60.99 1m4p h SER 4 Cb 1.00 -0.01 -0.18 0.00 -0.44 0.00 0.00 62.40 62.77 1m4p h SER 4 CO 0.00 0.23 0.22 -0.33 -0.53 0.00 0.00 176.83 176.43 1m4p h GLU 5 N 0.69 0.01 -0.41 2.24 5.08 -1.96 1.71 114.58 121.94 1m4p h GLU 5 Ca 0.54 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.88 1m4p h GLU 5 Cb 0.83 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1m4p h GLU 5 CO -0.39 0.00 0.17 0.77 -1.00 0.00 0.00 179.01 178.56 1m4p h SER 6 N 0.01 0.56 0.05 1.42 0.02 -1.32 -2.43 113.55 111.86 1m4p h SER 6 Ca 0.70 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 61.38 1m4p h SER 6 Cb 1.62 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 1m4p h SER 6 CO -0.87 0.57 -0.35 -0.61 -1.14 0.00 0.00 176.83 174.43 1m4p h GLN 7 N 0.51 0.41 -0.18 3.45 5.75 0.20 -3.03 115.11 122.22 1m4p h GLN 7 Ca 0.14 -0.18 0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1m4p h GLN 7 Cb 0.18 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 1m4p h GLN 7 CO -0.01 0.71 -0.13 1.25 -2.65 0.00 0.00 178.83 178.00 1m4p h LEU 8 N 0.35 -0.41 -2.00 -2.39 5.85 0.17 0.39 115.31 117.28 1m4p h LEU 8 Ca 0.04 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.95 1m4p h LEU 8 Cb 0.78 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1m4p h LEU 8 CO 0.06 -0.16 0.41 0.07 -0.34 0.00 0.00 178.44 178.48 1m4p h LYS 9 N -0.13 0.00 0.00 1.25 2.10 -1.32 1.41 116.57 119.88 1m4p h LYS 9 Ca 0.11 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.63 1m4p h LYS 9 Cb 0.29 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 1m4p h LYS 9 CO -0.26 0.00 -0.66 0.87 -2.00 0.00 0.00 179.45 177.40 1m4p h LYS 10 N 0.00 0.00 0.00 0.07 1.57 -0.30 -2.31 116.57 115.60 1m4p h LYS 10 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1m4p h LYS 10 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1m4p h LYS 10 CO -0.00 0.59 0.00 0.52 -0.57 0.00 0.00 179.45 179.99 1m4p h MET 11 N 0.00 0.00 0.00 3.15 2.86 0.33 -3.39 114.93 117.88 1m4p h MET 11 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1m4p h MET 11 Cb 1.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 1m4p h MET 11 CO 0.08 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.38 1m4p n VAL 12 N -2.84 0.00 0.00 -2.22 0.24 -1.09 -4.77 118.33 107.65 1m4p n VAL 12 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1m4p n VAL 12 Cb 0.23 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 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 -0.20 0.00 -3.70 -1.34 2.88 -0.88 -4.45 113.62 105.94 1m4p n SER 13 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1m4p n SER 13 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 0.00 4.90 -4.31 -1.46 5.02 -1.26 -4.92 118.16 116.13 1m4p n LYS 14 Ca 0.00 -4.27 -0.29 0.00 -2.02 0.00 0.00 58.31 51.73 1m4p n LYS 14 Cb 0.00 -2.56 -0.17 0.00 -0.02 0.00 0.00 35.03 32.29 1m4p n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1m4p s TYR 15 N -2.88 1.99 0.25 2.13 1.51 -1.26 -5.02 117.35 114.07 1m4p s TYR 15 Ca 0.41 -0.99 -0.13 0.00 -1.01 0.00 0.00 57.07 55.34 1m4p s TYR 15 Cb 0.15 -1.45 0.33 0.00 -0.11 0.00 0.00 41.96 40.88 1m4p s TYR 15 CO -0.06 -0.53 1.54 1.17 -1.11 0.00 0.00 175.55 176.56 1m4p n LYS 16 N 4.40 -0.17 -2.17 -0.62 3.00 -1.26 -0.29 118.16 121.05 1m4p n LYS 16 Ca -0.18 1.54 -0.28 0.00 -0.00 0.00 0.00 58.31 59.38 1m4p n LYS 16 Cb 0.51 -2.29 0.02 0.00 0.00 0.00 0.00 35.03 33.27 1m4p n LYS 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1m4p n TYR 17 N -5.53 3.14 -0.50 5.64 4.01 -1.25 -4.81 117.16 117.86 1m4p n TYR 17 Ca 0.13 -2.73 0.42 0.00 -0.16 0.00 0.00 57.90 55.56 1m4p n TYR 17 Cb 0.44 -0.42 0.75 0.00 -0.31 0.00 0.00 39.34 39.80 1m4p n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4p h ARG 18 N 2.46 0.04 0.08 -0.72 2.43 -0.95 1.32 114.38 119.04 1m4p h ARG 18 Ca 0.38 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1m4p h ARG 18 Cb 0.99 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1m4p h ARG 18 CO 0.96 0.02 -0.04 0.22 -1.51 0.00 0.00 179.97 179.63 1m4p h ASP 19 N 0.04 -0.10 -1.00 -3.80 1.82 -1.87 -1.42 116.42 110.09 1m4p h ASP 19 Ca 0.76 -0.24 0.14 0.00 -0.39 0.00 0.00 57.03 57.31 1m4p h ASP 19 Cb 2.89 0.02 -0.09 0.00 0.68 0.00 0.00 39.33 42.84 1m4p h ASP 19 CO -0.10 0.50 0.62 0.25 -1.61 0.00 0.00 179.24 178.90 1m4p h LEU 20 N -1.00 0.88 0.18 2.28 5.85 -0.92 0.46 115.31 123.04 1m4p h LEU 20 Ca -0.01 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1m4p h LEU 20 Cb 0.33 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1m4p h LEU 20 CO 0.02 0.43 -0.09 0.74 -0.34 0.00 0.00 178.44 179.20 1m4p h THR 21 N 0.92 0.92 -0.76 1.05 2.02 0.14 -1.58 112.91 115.63 1m4p h THR 21 Ca 0.52 -0.50 0.07 0.00 0.77 0.00 0.00 66.41 67.26 1m4p h THR 21 Cb 0.60 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1m4p h THR 21 CO -0.30 0.12 0.50 0.58 0.37 0.00 0.00 175.52 176.78 1m4p h VAL 22 N -0.49 1.01 0.00 3.16 2.07 -0.22 0.19 116.25 121.98 1m4p h VAL 22 Ca -0.02 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1m4p h VAL 22 Cb 0.38 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1m4p h VAL 22 CO 0.04 0.14 -0.27 -0.09 0.02 0.00 0.00 177.57 177.42 1m4p h ARG 23 N 0.78 0.00 0.00 1.57 2.43 0.15 0.77 114.38 120.08 1m4p h ARG 23 Ca 0.33 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.35 1m4p h ARG 23 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1m4p h ARG 23 CO -0.11 0.27 -0.72 0.93 -1.51 0.00 0.00 179.97 178.82 1m4p h GLU 24 N 0.00 0.00 0.00 0.20 3.07 0.36 -2.91 114.58 115.30 1m4p h GLU 24 Ca -0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.72 1m4p h GLU 24 Cb 0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1m4p h GLU 24 CO 0.03 0.72 -0.74 1.15 -1.40 0.00 0.00 179.01 178.77 1m4p h THR 25 N 0.00 1.22 -0.52 1.13 2.02 -0.44 -2.77 112.91 113.55 1m4p h THR 25 Ca -0.01 -2.20 0.09 0.00 0.77 0.00 0.00 66.41 65.07 1m4p h THR 25 Cb 1.35 2.58 -0.10 0.00 -1.74 0.00 0.00 68.15 70.24 1m4p h THR 25 CO 0.09 0.41 -0.35 -0.37 0.37 0.00 0.00 175.52 175.68 1m4p h VAL 26 N -1.00 0.18 -0.36 3.16 -1.51 0.43 1.29 116.25 118.44 1m4p h VAL 26 Ca -0.20 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.26 1m4p h VAL 26 Cb 1.15 0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 1m4p h VAL 26 CO -0.12 0.00 0.18 -0.55 -1.23 0.00 0.00 177.57 175.85 1m4p h ASN 27 N -0.20 0.46 0.24 4.19 -1.07 -1.68 0.86 115.58 118.38 1m4p h ASN 27 Ca 0.20 -0.11 -0.00 0.00 0.07 0.00 0.00 56.30 56.46 1m4p h ASN 27 Cb 0.55 -0.12 -0.02 0.00 -2.07 0.00 0.00 38.32 36.66 1m4p h ASN 27 CO -0.63 0.44 -0.33 0.58 0.07 0.00 0.00 177.43 177.56 1m4p h VAL 28 N 0.44 0.00 -0.52 6.14 2.07 -0.52 1.53 116.25 125.40 1m4p h VAL 28 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1m4p h VAL 28 Cb 0.09 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1m4p h VAL 28 CO -0.02 0.00 0.34 0.16 0.02 0.00 0.00 177.57 178.08 1m4p h ILE 29 N -0.59 1.00 0.00 4.57 3.07 0.16 0.47 117.51 126.19 1m4p h ILE 29 Ca -0.03 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.21 1m4p h ILE 29 Cb 0.54 0.46 0.00 0.00 -0.27 0.00 0.00 36.82 37.54 1m4p h ILE 29 CO -0.09 0.09 0.00 0.74 -1.05 0.00 0.00 178.15 177.85 1m4p h THR 30 N 0.50 0.00 0.09 0.16 2.02 0.18 1.24 112.91 117.10 1m4p h THR 30 Ca 0.22 -0.43 -0.29 0.00 0.77 0.00 0.00 66.41 66.68 1m4p h THR 30 Cb 0.23 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1m4p h THR 30 CO -0.06 0.00 -1.52 0.25 0.37 0.00 0.00 175.52 174.56 1m4p h LEU 31 N 0.00 0.29 0.00 2.58 5.85 0.67 -3.42 115.31 121.29 1m4p h LEU 31 Ca 0.00 -0.80 -0.05 0.00 0.84 0.00 0.00 57.88 57.87 1m4p h LEU 31 Cb 0.55 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1m4p h LEU 31 CO 0.00 1.65 -0.55 1.88 -0.34 0.00 0.00 178.44 181.07 1m4p h TYR 32 N -0.38 0.00 0.00 1.25 0.05 -0.85 -3.48 116.97 113.56 1m4p h TYR 32 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1m4p h TYR 32 Cb 1.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.46 1m4p h TYR 32 CO 0.11 0.39 0.00 1.17 -1.05 0.00 0.00 178.16 178.77 1m4p n LYS 33 N -4.60 0.00 -0.02 4.88 4.81 0.43 -4.77 118.16 118.88 1m4p n LYS 33 Ca -0.12 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.34 1m4p n LYS 33 Cb 0.32 -1.79 -0.08 0.00 0.02 0.00 0.00 35.03 33.50 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 2.60 -4.80 3.14 9.92 -1.26 -4.98 116.55 121.17 1m4p n ASP 34 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.87 1m4p n ASP 34 Cb 0.00 1.18 -0.06 0.00 -0.64 0.00 0.00 41.12 41.60 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 -4.13 4.55 0.03 0.64 2.96 -1.26 -3.86 118.68 117.60 1m4p s LEU 35 Ca -0.04 1.44 0.07 0.00 -0.22 0.00 0.00 54.13 55.38 1m4p s LEU 35 Cb 0.05 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.61 1m4p s LEU 35 CO 0.42 0.24 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.72 1m4p s LYS 36 N -1.17 1.52 0.05 1.98 2.20 0.11 -4.68 119.74 119.76 1m4p s LYS 36 Ca 0.33 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 54.70 1m4p s LYS 36 Cb -0.21 -1.61 -0.05 0.00 -1.51 0.00 0.00 37.83 34.45 1m4p s LYS 36 CO 0.22 0.42 1.16 -1.25 -0.36 0.00 0.00 175.35 175.55 1m4p s PRO 37 N -1.05 4.45 0.26 4.03 0.04 -1.26 -1.22 135.00 140.25 1m4p s PRO 37 Ca 0.08 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.90 1m4p s PRO 37 Cb -0.09 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1m4p s PRO 37 CO 0.01 -0.22 -0.06 0.54 0.04 0.00 0.00 177.00 177.32 1m4p s VAL 38 N 1.03 1.49 -0.04 -0.36 0.11 0.22 -4.88 120.40 117.98 1m4p s VAL 38 Ca 0.58 -2.11 0.04 0.00 -2.93 0.00 0.00 61.98 57.55 1m4p s VAL 38 Cb -0.28 -2.36 -0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1m4p s VAL 38 CO 0.29 -0.35 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.35 1m4p s LEU 39 N -3.39 1.86 0.06 2.54 1.98 -1.26 -1.45 118.68 119.02 1m4p s LEU 39 Ca 0.28 -0.29 -0.05 0.00 -2.89 0.00 0.00 54.13 51.18 1m4p s LEU 39 Cb 0.04 -0.82 -0.02 0.00 0.66 0.00 0.00 46.19 46.05 1m4p s LEU 39 CO 0.10 0.12 0.08 1.51 -1.89 0.00 0.00 176.35 176.27 1m4p s ASP 40 N 0.12 0.27 0.05 3.68 1.47 -1.00 -4.97 116.67 116.28 1m4p s ASP 40 Ca -0.04 -0.75 0.05 0.00 1.18 0.00 0.00 52.55 52.99 1m4p s ASP 40 Cb -0.11 0.26 -0.02 0.00 -0.34 0.00 0.00 42.92 42.71 1m4p s ASP 40 CO 0.02 -0.62 -0.14 -0.55 0.68 0.00 0.00 175.17 174.56 1m4p s SER 41 N -2.68 1.62 0.06 2.11 0.15 -1.26 -0.63 113.70 113.07 1m4p s SER 41 Ca 0.03 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.06 1m4p s SER 41 Cb 0.04 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1m4p s SER 41 CO -0.09 0.00 0.30 -0.47 1.20 0.00 0.00 173.24 174.18 1m4p s TYR 42 N -0.95 -0.08 0.18 3.44 5.04 -0.95 -4.87 117.35 119.16 1m4p s TYR 42 Ca 0.00 -0.14 -0.26 0.00 -2.44 0.00 0.00 57.07 54.23 1m4p s TYR 42 Cb -0.08 0.09 -0.08 0.00 0.35 0.00 0.00 41.96 42.24 1m4p s TYR 42 CO 0.01 -0.54 0.80 0.14 -1.34 0.00 0.00 175.55 174.63 1m4p s VAL 43 N -2.97 4.32 0.10 3.14 -7.23 -1.26 -1.06 120.40 115.44 1m4p s VAL 43 Ca -0.02 1.77 0.00 0.00 -1.81 0.00 0.00 61.98 61.92 1m4p s VAL 43 Cb 0.01 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.77 1m4p s VAL 43 CO -0.06 0.52 0.00 0.49 -0.31 0.00 0.00 175.10 175.74 1m4p n PHE 44 N 1.60 -1.30 -1.55 2.82 3.72 -0.84 -4.69 117.46 117.23 1m4p n PHE 44 Ca -0.05 0.21 -0.32 0.00 -0.05 0.00 0.00 57.45 57.25 1m4p n PHE 44 Cb 0.48 0.76 -0.04 0.00 -0.94 0.00 0.00 39.48 39.74 1m4p n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1m4p n ASN 45 N -2.79 2.14 -2.10 4.37 5.15 -1.25 -2.14 115.26 118.64 1m4p n ASN 45 Ca 0.00 -0.68 -0.08 0.00 -0.60 0.00 0.00 54.58 53.22 1m4p n ASN 45 Cb 0.00 -1.58 -0.01 0.00 -0.53 0.00 0.00 39.78 37.66 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1m4p n ASP 46 N 16.29 -2.69 -0.67 1.20 2.03 -1.26 -0.49 116.55 130.96 1m4p n ASP 46 Ca 0.40 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.98 1m4p n ASP 46 Cb 0.51 -2.43 0.00 0.00 -0.72 0.00 0.00 41.12 38.48 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 -0.54 0.47 3.19 0.27 0.00 -0.91 -5.07 105.19 102.60 1m4p n GLY 47 Ca -0.09 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 1m4p n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m4p s SER 48 N -2.34 4.56 0.23 1.61 1.04 0.35 -4.70 113.70 114.47 1m4p s SER 48 Ca 0.00 -1.03 -0.31 0.00 0.48 0.00 0.00 55.95 55.09 1m4p s SER 48 Cb 0.00 -1.69 -0.11 0.00 0.10 0.00 0.00 66.02 64.33 1m4p s SER 48 CO 0.00 -0.18 1.56 -0.44 0.98 0.00 0.00 173.24 175.16 1m4p s SER 49 N 1.30 6.51 -0.00 7.02 0.01 -1.26 -1.99 113.70 125.29 1m4p s SER 49 Ca -0.02 2.77 -0.07 0.00 1.31 0.00 0.00 55.95 59.94 1m4p s SER 49 Cb -0.18 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1m4p s SER 49 CO -0.03 -0.84 0.14 0.00 0.41 0.00 0.00 173.24 172.92 1m4p s ARG 50 N 0.20 0.45 0.29 12.44 1.04 -0.23 -4.90 118.95 128.24 1m4p s ARG 50 Ca 0.65 -0.34 -0.29 0.00 -1.04 0.00 0.00 55.73 54.71 1m4p s ARG 50 Cb -0.45 0.19 -0.10 0.00 -2.04 0.00 0.00 34.95 32.55 1m4p s ARG 50 CO 0.40 -0.10 1.21 -1.21 -0.04 0.00 0.00 175.30 175.56 1m4p s GLU 51 N -1.23 4.49 -0.15 3.89 2.02 -1.26 -2.24 118.70 124.21 1m4p s GLU 51 Ca -0.13 2.00 -0.08 0.00 0.02 0.00 0.00 54.97 56.78 1m4p s GLU 51 Cb -0.07 -3.14 0.06 0.00 0.10 0.00 0.00 34.13 31.08 1m4p s GLU 51 CO 0.01 -0.01 0.37 -1.17 0.02 0.00 0.00 175.26 174.48 1m4p s LEU 52 N -1.41 -0.01 0.87 1.80 0.20 0.19 -4.98 118.68 115.34 1m4p s LEU 52 Ca 0.48 0.80 -0.11 0.00 0.69 0.00 0.00 54.13 55.98 1m4p s LEU 52 Cb -0.36 1.18 0.12 0.00 -0.43 0.00 0.00 46.19 46.70 1m4p s LEU 52 CO 0.46 -0.19 1.17 -0.04 -0.29 0.00 0.00 176.35 177.45 1m4p s MET 53 N 1.46 1.29 -0.11 1.98 -1.94 -0.63 -2.39 119.30 118.96 1m4p s MET 53 Ca -0.09 1.61 -0.30 0.00 -1.71 0.00 0.00 55.69 55.20 1m4p s MET 53 Cb -0.09 -1.75 0.12 0.00 2.01 0.00 0.00 34.83 35.11 1m4p s MET 53 CO -0.12 -2.44 0.95 1.21 -0.01 0.00 0.00 175.02 174.62 1m4p s ASN 54 N -2.52 -0.38 0.21 3.03 2.47 -0.53 -0.59 114.94 116.64 1m4p s ASN 54 Ca 0.69 0.31 0.11 0.00 0.42 0.00 0.00 52.86 54.38 1m4p s ASN 54 Cb -0.25 0.33 -0.05 0.00 -1.45 0.00 0.00 41.25 39.84 1m4p s ASN 54 CO 0.55 -0.43 -0.19 -0.76 -3.72 0.00 0.00 177.10 172.55 1m4p s LEU 55 N -1.51 2.60 -0.04 3.21 1.43 0.37 0.73 118.68 125.48 1m4p s LEU 55 Ca -0.00 -0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 51.98 1m4p s LEU 55 Cb -0.01 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 45.01 1m4p s LEU 55 CO -0.01 0.09 0.62 0.28 0.23 0.00 0.00 176.35 177.56 1m4p s THR 56 N -1.89 0.01 0.00 5.49 -1.32 -0.36 -2.08 115.64 115.49 1m4p s THR 56 Ca 0.24 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1m4p s THR 56 Cb -0.07 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1m4p s THR 56 CO 0.12 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1m4p n GLY 57 N 0.96 2.41 3.27 6.08 0.00 -1.18 0.09 105.19 116.82 1m4p n GLY 57 Ca -0.19 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.87 4.86 0.53 2.61 -4.23 -1.25 -1.64 115.64 114.64 1m4p s THR 58 Ca 0.00 -1.70 -0.20 0.00 -1.18 0.00 0.00 61.69 58.61 1m4p s THR 58 Cb 0.00 -4.13 -0.06 0.00 1.34 0.00 0.00 72.50 69.65 1m4p s THR 58 CO 0.00 -0.85 1.14 0.27 -0.54 0.00 0.00 174.62 174.64 1m4p s ILE 59 N 1.38 3.12 -0.96 2.99 -4.36 -0.11 -4.46 121.20 118.80 1m4p s ILE 59 Ca 0.05 0.72 -0.24 0.00 -0.26 0.00 0.00 60.65 60.93 1m4p s ILE 59 Cb -0.27 -3.31 0.00 0.00 1.25 0.00 0.00 42.46 40.13 1m4p s ILE 59 CO 0.01 -0.12 1.69 -2.16 0.24 0.00 0.00 174.94 174.60 1m4p s PRO 60 N -3.17 3.08 -0.30 0.37 0.04 -1.26 -1.25 135.00 132.52 1m4p s PRO 60 Ca 0.71 -0.70 -0.29 0.00 0.04 0.00 0.00 61.00 60.76 1m4p s PRO 60 Cb -0.25 -5.20 -0.01 0.00 0.04 0.00 0.00 34.50 29.08 1m4p s PRO 60 CO 0.29 -2.78 1.42 0.08 0.04 0.00 0.00 177.00 176.04 1m4p s VAL 61 N 7.49 3.97 0.54 -0.36 1.01 0.12 -4.81 120.40 128.36 1m4p s VAL 61 Ca 0.58 1.07 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 1m4p s VAL 61 Cb -0.03 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1m4p s VAL 61 CO -0.05 -0.47 1.04 -2.16 0.00 0.00 0.00 175.10 173.46 1m4p s PRO 62 N 4.47 3.57 0.12 2.72 0.04 -1.26 -0.14 135.00 144.51 1m4p s PRO 62 Ca 0.62 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.92 1m4p s PRO 62 Cb -0.18 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1m4p s PRO 62 CO 0.27 -0.61 0.03 0.98 0.04 0.00 0.00 177.00 177.70 1m4p n TYR 63 N -1.55 0.10 0.19 0.56 9.36 0.31 -4.68 117.16 121.45 1m4p n TYR 63 Ca 0.09 -0.70 0.07 0.00 3.32 0.00 0.00 57.90 60.68 1m4p n TYR 63 Cb 0.53 -0.02 0.33 0.00 -0.63 0.00 0.00 39.34 39.55 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 -0.27 0.08 0.00 2.98 1.74 -1.26 -3.84 116.66 116.09 1m4p n ARG 64 Ca -0.02 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1m4p n ARG 64 Cb 0.17 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4p n GLY 65 N -0.98 0.00 3.65 -0.13 0.00 -1.26 -5.16 105.19 101.31 1m4p n GLY 65 Ca 0.00 0.00 -0.02 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 -1.59 -3.27 1.61 3.02 -1.25 -5.15 115.26 108.63 1m4p n ASN 66 Ca 0.00 -1.80 -0.05 0.00 -0.03 0.00 0.00 54.58 52.71 1m4p n ASN 66 Cb 0.00 2.57 -0.05 0.00 -0.61 0.00 0.00 39.78 41.69 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 -2.08 -0.75 0.18 3.41 2.01 -1.26 0.11 115.64 117.27 1m4p s THR 67 Ca 0.22 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1m4p s THR 67 Cb -0.02 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.61 1m4p s THR 67 CO 0.05 -0.11 0.25 -1.22 -0.69 0.00 0.00 174.62 172.90 1m4p n TYR 68 N 5.38 -2.93 -4.03 4.92 4.02 0.80 -4.82 117.16 120.51 1m4p n TYR 68 Ca -0.01 -0.59 -0.31 0.00 -0.01 0.00 0.00 57.90 56.98 1m4p n TYR 68 Cb 0.51 -0.18 -0.16 0.00 -0.02 0.00 0.00 39.34 39.49 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 -2.09 3.36 -0.15 7.72 0.01 -1.26 0.15 114.94 122.69 1m4p s ASN 69 Ca 0.18 -0.85 -0.00 0.00 -0.71 0.00 0.00 52.86 51.49 1m4p s ASN 69 Cb -0.01 -1.30 -0.01 0.00 0.41 0.00 0.00 41.25 40.34 1m4p s ASN 69 CO 0.12 -0.11 -0.14 -0.51 -1.51 0.00 0.00 177.10 174.94 1m4p s ILE 70 N 1.36 2.85 0.39 0.60 1.10 -0.38 -4.87 121.20 122.26 1m4p s ILE 70 Ca -0.00 -0.72 -0.24 0.00 -0.51 0.00 0.00 60.65 59.18 1m4p s ILE 70 Cb -0.16 -2.20 -0.09 0.00 0.15 0.00 0.00 42.46 40.16 1m4p s ILE 70 CO -0.09 0.51 1.06 -2.16 -2.11 0.00 0.00 174.94 172.15 1m4p s PRO 71 N 0.65 4.18 0.14 3.50 0.04 -1.26 -0.93 135.00 141.32 1m4p s PRO 71 Ca -0.07 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 1m4p s PRO 71 Cb -0.16 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.84 1m4p s PRO 71 CO 0.02 -0.13 0.39 0.42 0.04 0.00 0.00 177.00 177.74 1m4p s ILE 72 N -1.63 0.07 -0.05 0.56 1.01 -0.65 -2.90 121.20 117.60 1m4p s ILE 72 Ca 0.57 -0.78 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1m4p s ILE 72 Cb -0.23 -1.35 0.04 0.00 0.01 0.00 0.00 42.46 40.93 1m4p s ILE 72 CO 0.29 -0.31 0.10 0.00 0.00 0.00 0.00 174.94 175.02 1m4p s LEU 74 N 1.58 1.71 0.20 0.00 2.01 -0.88 -2.24 118.68 121.06 1m4p s LEU 74 Ca -0.04 -0.26 -0.03 0.00 0.01 0.00 0.00 54.13 53.81 1m4p s LEU 74 Cb -0.12 -0.74 -0.05 0.00 0.01 0.00 0.00 46.19 45.29 1m4p s LEU 74 CO -0.05 0.06 0.43 0.26 1.01 0.00 0.00 176.35 178.06 1m4p s TRP 75 N 0.44 3.48 -0.01 0.29 0.52 -1.07 0.14 118.94 122.72 1m4p s TRP 75 Ca -0.09 0.51 -0.00 0.00 0.02 0.00 0.00 56.10 56.53 1m4p s TRP 75 Cb -0.13 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.23 1m4p s TRP 75 CO 0.02 0.35 0.02 -0.51 0.02 0.00 0.00 176.95 176.85 1m4p s LEU 76 N -3.10 1.59 0.00 2.99 1.02 0.24 -4.68 118.68 116.74 1m4p s LEU 76 Ca 0.41 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.59 1m4p s LEU 76 Cb -0.11 0.00 0.00 0.00 0.02 0.00 0.00 46.19 46.10 1m4p s LEU 76 CO 0.27 -0.06 0.00 0.18 0.02 0.00 0.00 176.35 176.77 1m4p n LEU 77 N 3.53 0.00 -0.07 1.79 4.77 -1.26 -1.61 117.00 124.15 1m4p n LEU 77 Ca -0.19 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1m4p n LEU 77 Cb 0.56 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 1m4p n LEU 77 CO 0.24 -0.47 0.17 -2.24 -1.33 0.00 0.00 177.39 173.76 1m4p h ASP 78 N 0.00 0.00 0.00 -1.43 3.04 -1.96 -3.46 116.42 112.61 1m4p h ASP 78 Ca 0.00 -0.78 0.00 0.00 -3.24 0.00 0.00 57.03 53.01 1m4p h ASP 78 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1m4p h ASP 78 CO 0.00 1.02 0.00 0.35 -2.04 0.00 0.00 179.24 178.57 1m4p n THR 79 N -4.60 0.00 -3.41 1.15 -2.24 -1.26 -3.95 114.28 99.97 1m4p n THR 79 Ca -0.13 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.46 1m4p n THR 79 Cb 0.45 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 1m4p n THR 79 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1m4p s TYR 80 N -1.00 2.82 -0.04 4.78 1.51 -1.26 -3.72 117.35 120.43 1m4p s TYR 80 Ca 0.00 -0.40 0.22 0.00 -1.01 0.00 0.00 57.07 55.88 1m4p s TYR 80 Cb 0.00 -2.16 0.64 0.00 -0.11 0.00 0.00 41.96 40.32 1m4p s TYR 80 CO 0.00 -0.16 1.70 -1.00 -1.11 0.00 0.00 175.55 174.98 1m4p h PRO 81 N 0.92 0.00 0.00 -1.71 0.13 -2.01 -3.43 132.00 125.90 1m4p h PRO 81 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1m4p h PRO 81 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1m4p h PRO 81 CO 0.53 0.24 0.00 0.66 -0.23 0.00 0.00 178.00 179.20 1m4p n TYR 82 N -3.27 0.00 -1.70 1.56 4.01 -1.24 -5.11 117.16 111.41 1m4p n TYR 82 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1m4p n TYR 82 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1m4p n TYR 82 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1m4p n ASN 83 N 0.00 -6.15 -4.62 7.72 2.85 -1.26 -4.87 115.26 108.93 1m4p n ASN 83 Ca 0.00 1.00 -0.43 0.00 -0.11 0.00 0.00 54.58 55.04 1m4p n ASN 83 Cb 0.00 -3.32 -0.02 0.00 1.24 0.00 0.00 39.78 37.68 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1m4p s PRO 84 N -1.30 3.80 -0.52 1.20 0.04 -1.26 -4.89 135.00 132.07 1m4p s PRO 84 Ca 0.00 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.17 1m4p s PRO 84 Cb 0.00 -3.94 -0.15 0.00 0.04 0.00 0.00 34.50 30.46 1m4p s PRO 84 CO 0.00 -1.27 2.69 -0.35 0.04 0.00 0.00 177.00 178.11 1m4p n PRO 85 N 7.58 2.04 -3.66 0.56 -0.04 -1.26 -4.69 135.00 135.52 1m4p n PRO 85 Ca 0.16 -1.18 -0.37 0.00 -0.04 0.00 0.00 63.50 62.07 1m4p n PRO 85 Cb 0.47 -2.18 -0.08 0.00 -0.04 0.00 0.00 33.50 31.67 1m4p n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4p s ILE 86 N 2.09 4.12 -0.14 0.52 1.01 -1.26 -5.03 121.20 122.50 1m4p s ILE 86 Ca 0.51 -3.42 0.02 0.00 0.00 0.00 0.00 60.65 57.76 1m4p s ILE 86 Cb 0.20 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 39.07 1m4p s ILE 86 CO -0.02 -0.99 -0.22 0.00 0.00 0.00 0.00 174.94 173.71 1m4p s PHE 88 N 0.81 -0.39 0.27 0.00 -0.71 -0.95 -2.32 117.98 114.68 1m4p s PHE 88 Ca -0.07 0.69 -0.09 0.00 -1.04 0.00 0.00 56.93 56.42 1m4p s PHE 88 Cb -0.16 0.22 -0.07 0.00 -1.21 0.00 0.00 43.02 41.80 1m4p s PHE 88 CO -0.02 -0.46 0.59 0.54 -1.34 0.00 0.00 175.22 174.54 1m4p s VAL 89 N -1.10 4.91 -0.64 -2.49 0.11 -0.95 -0.44 120.40 119.78 1m4p s VAL 89 Ca -0.11 0.47 0.05 0.00 -2.93 0.00 0.00 61.98 59.46 1m4p s VAL 89 Cb -0.03 -3.65 0.20 0.00 -1.53 0.00 0.00 36.38 31.37 1m4p s VAL 89 CO 0.06 -0.17 0.56 0.29 -3.33 0.00 0.00 175.10 172.51 1m4p n LYS 90 N -0.41 1.84 -1.55 1.54 4.76 -1.14 -4.50 118.16 118.70 1m4p n LYS 90 Ca 0.01 -4.36 -0.29 0.00 -2.87 0.00 0.00 58.31 50.80 1m4p n LYS 90 Cb 0.53 -2.16 0.12 0.00 -1.84 0.00 0.00 35.03 31.68 1m4p n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1m4p s PRO 91 N -1.63 1.44 0.00 1.97 0.04 -1.26 -4.55 135.00 131.01 1m4p s PRO 91 Ca 0.31 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1m4p s PRO 91 Cb 0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1m4p s PRO 91 CO -0.12 -2.01 0.00 0.25 0.04 0.00 0.00 177.00 175.16 1m4p n THR 92 N -3.66 0.00 0.29 1.26 -2.24 -1.26 -5.01 114.28 103.66 1m4p n THR 92 Ca 0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1m4p n THR 92 Cb 0.58 -1.78 -0.14 0.00 -2.10 0.00 0.00 70.33 66.89 1m4p n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m4p n SER 93 N -1.21 0.54 -0.66 3.42 2.88 -1.26 -4.13 113.62 113.20 1m4p n SER 93 Ca 0.00 -0.30 0.12 0.00 -1.33 0.00 0.00 58.87 57.36 1m4p n SER 93 Cb 0.00 1.63 0.15 0.00 -0.75 0.00 0.00 64.21 65.24 1m4p n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1m4p n SER 94 N -1.97 2.25 -2.27 -3.46 2.88 -1.26 -4.94 113.62 104.85 1m4p n SER 94 Ca -0.01 -1.65 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 1m4p n SER 94 Cb 0.46 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.50 0.43 -3.37 -1.46 2.00 -1.26 -4.57 117.12 109.39 1m4p n MET 95 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.72 1m4p n MET 95 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.63 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 -0.53 -0.55 0.40 2.03 2.01 -1.25 -4.91 115.64 112.84 1m4p s THR 96 Ca 0.00 -0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.63 1m4p s THR 96 Cb 0.00 -0.83 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 1m4p s THR 96 CO 0.00 -0.18 1.03 -0.51 -0.69 0.00 0.00 174.62 174.26 1m4p s ILE 97 N 2.50 3.85 -0.37 1.82 2.07 -1.26 -3.17 121.20 126.64 1m4p s ILE 97 Ca 0.11 1.39 0.02 0.00 -1.41 0.00 0.00 60.65 60.77 1m4p s ILE 97 Cb -0.15 -3.71 0.10 0.00 0.13 0.00 0.00 42.46 38.84 1m4p s ILE 97 CO -0.18 -0.02 0.10 -0.75 -1.91 0.00 0.00 174.94 172.18 1m4p s LYS 98 N -2.54 1.63 0.51 3.50 2.20 -1.24 -4.98 119.74 118.83 1m4p s LYS 98 Ca 0.58 -1.90 -0.20 0.00 -0.36 0.00 0.00 55.97 54.09 1m4p s LYS 98 Cb -0.20 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.74 1m4p s LYS 98 CO 0.25 -0.98 1.09 0.95 -0.36 0.00 0.00 175.35 176.30 1m4p s THR 99 N 0.91 3.46 0.00 3.43 -4.23 -1.26 -4.26 115.64 113.69 1m4p s THR 99 Ca 0.11 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.53 1m4p s THR 99 Cb -0.20 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1m4p s THR 99 CO -0.07 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1m4p n GLY 100 N -0.02 -0.51 2.41 3.99 0.00 -1.20 -4.89 105.19 104.97 1m4p n GLY 100 Ca 0.10 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1m4p n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m4p n LYS 101 N 0.00 2.34 0.00 1.61 5.02 -1.26 -3.93 118.16 121.94 1m4p n LYS 101 Ca 0.00 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.88 1m4p n LYS 101 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1m4p n HIS 102 N 0.43 -1.41 -4.57 2.13 8.25 -1.12 -4.72 115.22 114.20 1m4p n HIS 102 Ca 0.47 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.62 1m4p n HIS 102 Cb 0.52 0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.89 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 -1.64 1.36 0.04 1.59 1.01 -1.25 -1.18 120.40 120.33 1m4p s VAL 103 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.07 1m4p s VAL 103 Cb 0.00 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.12 1m4p s VAL 103 CO 0.00 0.00 -0.02 -0.67 0.00 0.00 0.00 175.10 174.41 1m4p n ASP 104 N -1.33 0.63 0.00 3.32 2.03 -1.19 -3.25 116.55 116.77 1m4p n ASP 104 Ca -0.14 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1m4p n ASP 104 Cb 0.66 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m4p n ALA 105 N -3.31 0.00 1.52 -1.67 0.00 -1.26 -4.78 120.51 111.01 1m4p n ALA 105 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1m4p n ALA 105 Cb 0.27 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.25 1m4p n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1m4p n ASN 106 N 0.00 1.22 0.00 0.00 5.15 -1.26 -4.88 115.26 115.49 1m4p n ASN 106 Ca 0.00 -1.50 0.00 0.00 -0.60 0.00 0.00 54.58 52.48 1m4p n ASN 106 Cb 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m4p n GLY 107 N 1.10 3.36 3.67 8.20 0.00 -1.26 -4.86 105.19 115.39 1m4p n GLY 107 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 1m4p n GLY 107 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m4p n LYS 108 N -1.83 2.15 -1.68 1.61 2.85 -1.26 -2.25 118.16 117.75 1m4p n LYS 108 Ca 0.00 0.78 -0.45 0.00 -1.05 0.00 0.00 58.31 57.59 1m4p n LYS 108 Cb 0.00 -2.55 -0.04 0.00 -0.65 0.00 0.00 35.03 31.79 1m4p n LYS 108 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1m4p n ILE 109 N 3.62 0.26 -3.45 0.58 5.41 -0.98 -3.18 119.36 121.62 1m4p n ILE 109 Ca 0.18 -0.05 -0.25 0.00 1.00 0.00 0.00 62.75 63.63 1m4p n ILE 109 Cb 0.29 -1.86 -0.12 0.00 -0.71 0.00 0.00 39.64 37.24 1m4p n ILE 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1m4p s TYR 110 N 2.27 0.26 -0.11 1.39 5.04 -0.33 -4.92 117.35 120.95 1m4p s TYR 110 Ca 0.83 -1.09 -0.33 0.00 -2.44 0.00 0.00 57.07 54.04 1m4p s TYR 110 Cb -0.59 -0.75 0.12 0.00 0.35 0.00 0.00 41.96 41.10 1m4p s TYR 110 CO 0.40 -0.87 1.11 -0.48 -1.34 0.00 0.00 175.55 174.37 1m4p s LEU 111 N 1.57 -0.20 -0.94 6.97 -0.00 -1.26 -2.81 118.68 122.01 1m4p s LEU 111 Ca 0.14 -0.02 -0.24 0.00 -0.00 0.00 0.00 54.13 54.01 1m4p s LEU 111 Cb -0.19 1.60 0.00 0.00 -0.00 0.00 0.00 46.19 47.60 1m4p s LEU 111 CO -0.14 -0.37 1.68 -2.16 -0.00 0.00 0.00 176.35 175.36 1m4p s PRO 112 N -2.65 3.07 0.08 1.48 0.04 -1.26 -4.27 135.00 131.49 1m4p s PRO 112 Ca 0.09 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1m4p s PRO 112 Cb -0.01 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1m4p s PRO 112 CO -0.06 -2.75 0.00 0.98 0.04 0.00 0.00 177.00 175.21 1m4p n TYR 113 N 11.35 -1.19 0.16 0.56 9.36 -1.26 -4.86 117.16 131.28 1m4p n TYR 113 Ca 0.35 0.17 0.03 0.00 3.32 0.00 0.00 57.90 61.77 1m4p n TYR 113 Cb 0.49 0.72 0.22 0.00 -0.63 0.00 0.00 39.34 40.14 1m4p n TYR 113 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1m4p h LEU 114 N 0.00 0.00 -3.84 2.98 6.46 -2.02 -3.00 115.31 115.89 1m4p h LEU 114 Ca 0.00 0.00 -0.56 0.00 -0.12 0.00 0.00 57.88 57.20 1m4p h LEU 114 Cb 0.00 0.00 -0.25 0.00 -0.73 0.00 0.00 40.66 39.68 1m4p h LEU 114 CO 0.00 0.48 0.73 0.00 -0.62 0.00 0.00 178.44 179.03 1m4p n HIS 115 N -3.49 2.77 0.03 1.25 1.44 -1.26 -4.17 115.22 111.78 1m4p n HIS 115 Ca 0.00 -2.59 0.00 0.00 -2.01 0.00 0.00 57.72 53.12 1m4p n HIS 115 Cb 0.60 -1.25 0.00 0.00 0.12 0.00 0.00 29.99 29.45 1m4p n HIS 115 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1m4p n GLU 116 N -0.64 0.00 0.00 -1.40 2.13 -1.13 -4.98 120.64 114.62 1m4p n GLU 116 Ca 0.54 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1m4p n GLU 116 Cb 0.77 -0.11 0.00 0.00 0.27 0.00 0.00 31.44 32.38 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 -2.86 0.00 -4.36 4.31 -0.00 -1.24 -4.82 117.44 108.46 1m4p n TRP 117 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 1m4p n TRP 117 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 1m4p n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4p n LYS 118 N -0.46 -1.95 -0.20 5.87 3.00 -1.26 -4.78 118.16 118.37 1m4p n LYS 118 Ca 0.00 0.25 -0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1m4p n LYS 118 Cb 0.00 -4.82 0.10 0.00 0.00 0.00 0.00 35.03 30.31 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1m4p h HIS 119 N -1.25 0.35 -0.02 5.64 2.76 -1.95 -3.45 115.15 117.22 1m4p h HIS 119 Ca -0.60 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 57.51 1m4p h HIS 119 Cb 1.39 -0.07 0.01 0.00 1.55 0.00 0.00 27.41 30.29 1m4p h HIS 119 CO 0.66 0.07 -0.35 -1.00 -1.30 0.00 0.00 177.93 176.01 1m4p h PRO 120 N 0.37 0.27 0.00 5.26 0.13 -2.01 -3.49 132.00 132.53 1m4p h PRO 120 Ca 0.30 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1m4p h PRO 120 Cb 0.38 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1m4p h PRO 120 CO -0.32 0.95 0.00 0.94 -0.23 0.00 0.00 178.00 179.35 1m4p n GLN 121 N -4.42 0.00 -0.96 0.86 -0.06 -1.26 -4.81 117.38 106.72 1m4p n GLN 121 Ca -0.09 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.54 1m4p n GLN 121 Cb 0.54 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 26.77 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4p n SER 122 N 0.39 -4.72 -4.32 1.69 2.88 -1.26 -5.01 113.62 103.27 1m4p n SER 122 Ca 0.00 0.14 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 1m4p n SER 122 Cb 0.00 -0.75 -0.10 0.00 -0.75 0.00 0.00 64.21 62.60 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 -1.15 1.40 0.24 -3.46 1.01 -1.26 -4.96 116.67 108.49 1m4p s ASP 123 Ca 0.42 -1.40 -0.15 0.00 0.71 0.00 0.00 52.55 52.13 1m4p s ASP 123 Cb -0.11 0.14 0.29 0.00 1.01 0.00 0.00 42.92 44.25 1m4p s ASP 123 CO 0.76 -0.72 1.51 0.18 0.21 0.00 0.00 175.17 177.11 1m4p n LEU 124 N -0.51 -0.56 0.05 1.23 7.99 -1.26 0.10 117.00 124.04 1m4p n LEU 124 Ca -0.00 1.69 -0.11 0.00 -0.01 0.00 0.00 56.01 57.58 1m4p n LEU 124 Cb 0.66 -0.42 -0.04 0.00 -0.11 0.00 0.00 43.42 43.51 1m4p n LEU 124 CO 0.38 -1.55 0.67 -0.07 -1.51 0.00 0.00 177.39 175.32 1m4p h LEU 125 N 0.00 -0.84 -0.90 2.23 4.07 -1.96 0.18 115.31 118.09 1m4p h LEU 125 Ca 0.37 0.12 0.09 0.00 0.08 0.00 0.00 57.88 58.54 1m4p h LEU 125 Cb 0.62 0.35 -0.07 0.00 1.08 0.00 0.00 40.66 42.63 1m4p h LEU 125 CO -0.98 -0.34 0.54 1.23 -1.08 0.00 0.00 178.44 177.81 1m4p h GLY 126 N -0.41 1.41 0.93 0.83 0.00 0.02 1.06 103.07 106.90 1m4p h GLY 126 Ca 0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1m4p h GLY 126 CO -0.26 0.18 -0.29 -2.00 0.00 0.00 0.00 176.54 174.17 1m4p h LEU 127 N 0.91 -0.71 -1.27 3.11 6.46 0.19 0.23 115.31 124.24 1m4p h LEU 127 Ca 0.43 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 58.19 1m4p h LEU 127 Cb 0.35 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1m4p h LEU 127 CO -0.24 -0.47 0.12 0.40 -0.62 0.00 0.00 178.44 177.64 1m4p h ILE 128 N -0.76 1.18 -0.32 4.05 2.04 -0.08 -0.26 117.51 123.36 1m4p h ILE 128 Ca -0.07 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1m4p h ILE 128 Cb 0.60 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1m4p h ILE 128 CO 0.09 0.23 0.21 -0.61 0.00 0.00 0.00 178.15 178.07 1m4p h GLN 129 N 0.62 0.42 -0.56 2.37 4.15 0.17 1.17 115.11 123.45 1m4p h GLN 129 Ca 0.14 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 1m4p h GLN 129 Cb 0.20 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1m4p h GLN 129 CO -0.01 0.28 -0.05 0.28 -1.93 0.00 0.00 178.83 177.41 1m4p h VAL 130 N 0.43 1.27 -0.32 2.39 2.07 -0.03 -2.23 116.25 119.83 1m4p h VAL 130 Ca 0.12 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 1m4p h VAL 130 Cb -0.05 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1m4p h VAL 130 CO -0.03 0.43 -0.27 -0.03 0.02 0.00 0.00 177.57 177.68 1m4p h MET 131 N 0.91 0.65 -0.44 1.57 4.05 -0.55 -0.37 114.93 120.75 1m4p h MET 131 Ca 0.15 -0.27 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 1m4p h MET 131 Cb 0.61 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 1m4p h MET 131 CO 0.04 0.85 0.13 0.82 0.23 0.00 0.00 176.91 178.98 1m4p h ILE 132 N 0.56 1.18 0.03 1.77 2.04 0.17 1.39 117.51 124.65 1m4p h ILE 132 Ca 0.07 -0.63 -0.22 0.00 1.00 0.00 0.00 64.86 65.09 1m4p h ILE 132 Cb 0.76 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1m4p h ILE 132 CO 0.06 0.23 -0.98 0.58 0.00 0.00 0.00 178.15 178.04 1m4p h VAL 133 N 0.63 1.51 -0.03 1.67 2.07 -1.04 0.20 116.25 121.25 1m4p h VAL 133 Ca 0.15 -2.79 -0.08 0.00 0.82 0.00 0.00 66.70 64.79 1m4p h VAL 133 Cb 0.20 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1m4p h VAL 133 CO -0.01 0.81 -0.30 0.58 0.02 0.00 0.00 177.57 178.68 1m4p h VAL 134 N 0.10 1.47 -0.00 2.57 2.07 -0.16 -0.23 116.25 122.08 1m4p h VAL 134 Ca -0.06 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1m4p h VAL 134 Cb 1.65 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.93 1m4p h VAL 134 CO 0.15 0.51 -0.04 0.49 0.02 0.00 0.00 177.57 178.70 1m4p n PHE 135 N -4.46 0.00 -0.12 1.57 3.01 0.47 -2.33 117.46 115.59 1m4p n PHE 135 Ca -0.09 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.11 1m4p n PHE 135 Cb 0.50 -0.19 -0.11 0.00 -0.01 0.00 0.00 39.48 39.67 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 1.24 -0.58 0.18 1.37 0.00 0.71 -4.30 105.19 103.80 1m4p n GLY 136 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1m4p n GLY 136 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1m4p h ASP 137 N -0.85 0.12 -4.23 1.61 3.58 -1.12 -3.44 116.42 112.09 1m4p h ASP 137 Ca -0.56 -0.06 -0.60 0.00 0.42 0.00 0.00 57.03 56.24 1m4p h ASP 137 Cb 1.56 -0.04 -0.25 0.00 1.72 0.00 0.00 39.33 42.33 1m4p h ASP 137 CO -0.30 0.58 -0.84 -1.61 -2.88 0.00 0.00 179.24 174.19 1m4p s GLU 138 N -4.00 1.37 -0.32 0.28 2.02 -0.99 -5.10 118.70 111.97 1m4p s GLU 138 Ca -0.03 -1.05 -0.29 0.00 0.02 0.00 0.00 54.97 53.62 1m4p s GLU 138 Cb 0.13 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.81 1m4p s GLU 138 CO 0.76 0.39 1.36 -1.25 0.02 0.00 0.00 175.26 176.54 1m4p s PRO 139 N -1.44 3.82 0.28 0.39 0.04 -1.26 -4.24 135.00 132.60 1m4p s PRO 139 Ca 0.08 1.22 0.14 0.00 0.04 0.00 0.00 61.00 62.48 1m4p s PRO 139 Cb -0.09 -3.93 0.32 0.00 0.04 0.00 0.00 34.50 30.84 1m4p s PRO 139 CO 0.03 -1.24 1.57 -1.00 0.04 0.00 0.00 177.00 176.39 1m4p h PRO 140 N 9.77 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.15 1m4p h PRO 140 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1m4p h PRO 140 Cb 1.11 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1m4p h PRO 140 CO 1.04 0.58 -0.01 1.55 -0.23 0.00 0.00 178.00 180.93 1m4p n VAL 141 N -3.52 0.00 -1.68 1.56 3.14 -1.26 -3.59 118.33 112.98 1m4p n VAL 141 Ca -0.00 -0.85 -0.46 0.00 -2.96 0.00 0.00 64.34 60.07 1m4p n VAL 141 Cb 0.66 1.04 -0.04 0.00 -1.06 0.00 0.00 33.84 34.43 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 0.18 2.38 -1.98 1.45 1.16 -1.19 -4.13 117.46 115.33 1m4p n PHE 142 Ca -0.08 0.08 -0.29 0.00 -1.87 0.00 0.00 57.45 55.29 1m4p n PHE 142 Cb 0.73 -2.63 0.12 0.00 -1.61 0.00 0.00 39.48 36.10 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1m4p s SER 143 N 2.28 4.01 0.10 5.98 0.15 -1.26 -3.84 113.70 121.12 1m4p s SER 143 Ca 0.84 0.50 0.10 0.00 0.70 0.00 0.00 55.95 58.09 1m4p s SER 143 Cb -0.63 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.81 1m4p s SER 143 CO 0.42 -2.18 -0.26 0.00 1.20 0.00 0.00 173.24 172.41 1m4p s ARG 144 N -5.64 1.52 0.00 5.44 1.70 -1.26 -4.95 118.95 115.76 1m4p s ARG 144 Ca 0.67 -1.25 0.24 0.00 -0.47 0.00 0.00 55.73 54.91 1m4p s ARG 144 Cb -0.08 -1.90 1.43 0.00 -0.57 0.00 0.00 34.95 33.83 1m4p s ARG 144 CO 0.50 0.46 1.79 -0.35 -1.08 0.00 0.00 175.30 176.63