#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 0.69 0.20 0.00 3.14 -1.26 -4.29 118.33 116.81 1m4p n VAL 3 Ca 0.00 -0.85 0.12 0.00 -2.96 0.00 0.00 64.34 60.66 1m4p n VAL 3 Cb 0.00 0.80 0.64 0.00 -1.06 0.00 0.00 33.84 34.22 1m4p n VAL 3 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1m4p h SER 4 N 4.25 0.00 -0.95 6.55 0.02 -2.00 -2.89 113.55 118.53 1m4p h SER 4 Ca 0.00 0.00 0.36 0.00 -0.84 0.00 0.00 61.79 61.31 1m4p h SER 4 Cb 0.97 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.33 1m4p h SER 4 CO 0.00 0.00 0.37 1.21 -1.14 0.00 0.00 176.83 177.27 1m4p n GLU 5 N -2.34 -0.06 -0.01 3.45 0.00 -1.26 0.18 120.64 120.60 1m4p n GLU 5 Ca -0.01 1.35 -0.12 0.00 0.00 0.00 0.00 57.16 58.38 1m4p n GLU 5 Cb 0.05 -2.34 -0.06 0.00 0.00 0.00 0.00 31.44 29.09 1m4p n GLU 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m4p h SER 6 N 0.00 0.11 0.75 4.31 0.02 -1.89 -2.30 113.55 114.54 1m4p h SER 6 Ca 0.74 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.51 1m4p h SER 6 Cb 1.86 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.37 1m4p h SER 6 CO -0.78 0.20 -0.28 1.56 -1.14 0.00 0.00 176.83 176.39 1m4p h GLN 7 N 0.01 0.00 0.64 3.45 7.50 0.17 -3.17 115.11 123.70 1m4p h GLN 7 Ca 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 1m4p h GLN 7 Cb 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1m4p h GLN 7 CO -0.00 0.28 -0.50 1.25 -1.50 0.00 0.00 178.83 178.35 1m4p h LEU 8 N 0.00 -1.34 -1.91 1.46 5.85 0.21 0.82 115.31 120.41 1m4p h LEU 8 Ca -0.00 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.95 1m4p h LEU 8 Cb 0.73 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1m4p h LEU 8 CO 0.04 -0.71 0.51 0.50 -0.34 0.00 0.00 178.44 178.44 1m4p h LYS 9 N -1.11 0.00 0.00 1.25 3.64 -1.46 1.42 116.57 120.31 1m4p h LYS 9 Ca -0.08 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.08 1m4p h LYS 9 Cb 0.92 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 1m4p h LYS 9 CO 0.01 0.00 -1.12 0.87 -2.27 0.00 0.00 179.45 176.94 1m4p h LYS 10 N 0.00 0.00 0.00 1.90 1.79 -0.99 -2.47 116.57 116.80 1m4p h LYS 10 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1m4p h LYS 10 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1m4p h LYS 10 CO -0.00 0.80 0.00 0.52 -1.08 0.00 0.00 179.45 179.69 1m4p h MET 11 N 0.00 0.00 0.00 3.15 2.86 0.87 -3.41 114.93 118.41 1m4p h MET 11 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1m4p h MET 11 Cb 1.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1m4p h MET 11 CO 0.11 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.41 1m4p n VAL 12 N -3.06 0.00 -1.32 -2.22 0.24 -0.51 -4.91 118.33 106.54 1m4p n VAL 12 Ca 0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 1m4p n VAL 12 Cb 0.35 -0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 1m4p n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4p n SER 13 N 0.00 -4.50 -0.02 -1.34 7.64 -0.93 -4.67 113.62 109.80 1m4p n SER 13 Ca 0.00 0.31 -0.03 0.00 1.01 0.00 0.00 58.87 60.16 1m4p n SER 13 Cb 0.00 -3.72 -0.02 0.00 -1.01 0.00 0.00 64.21 59.45 1m4p n SER 13 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1m4p n LYS 14 N -1.41 0.84 -1.50 1.43 4.81 -1.26 -5.02 118.16 116.05 1m4p n LYS 14 Ca -0.13 0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 56.92 1m4p n LYS 14 Cb 0.51 -1.10 0.01 0.00 0.02 0.00 0.00 35.03 34.47 1m4p n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1m4p n TYR 15 N -2.54 0.08 -0.27 5.64 4.02 -1.26 -4.83 117.16 118.01 1m4p n TYR 15 Ca -0.08 0.61 -0.02 0.00 -0.01 0.00 0.00 57.90 58.40 1m4p n TYR 15 Cb 0.60 -2.07 0.05 0.00 -0.02 0.00 0.00 39.34 37.90 1m4p n TYR 15 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1m4p h LYS 16 N 1.06 -0.07 -2.13 -0.72 3.64 -1.84 -2.92 116.57 113.59 1m4p h LYS 16 Ca -0.41 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.39 1m4p h LYS 16 Cb 1.38 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.81 1m4p h LYS 16 CO 0.54 -0.05 -0.79 0.66 -2.27 0.00 0.00 179.45 177.54 1m4p n TYR 17 N -5.47 2.28 -0.39 1.91 4.01 -1.26 -4.92 117.16 113.32 1m4p n TYR 17 Ca 0.08 -3.94 0.30 0.00 -0.16 0.00 0.00 57.90 54.18 1m4p n TYR 17 Cb 0.38 -0.48 0.58 0.00 -0.31 0.00 0.00 39.34 39.51 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 3.96 0.20 0.41 -0.72 -0.00 -1.87 0.55 114.38 116.92 1m4p h ARG 18 Ca 0.15 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.60 1m4p h ARG 18 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.66 1m4p h ARG 18 CO 0.70 0.13 -0.20 -0.44 0.00 0.00 0.00 179.97 180.17 1m4p h ASP 19 N 0.21 -0.47 -0.65 7.04 3.32 -1.91 0.94 116.42 124.90 1m4p h ASP 19 Ca 0.74 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.82 1m4p h ASP 19 Cb 2.11 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 41.74 1m4p h ASP 19 CO -0.43 -0.27 0.43 -0.07 -1.72 0.00 0.00 179.24 177.17 1m4p h LEU 20 N -0.64 0.59 0.31 1.55 -0.00 -0.49 0.16 115.31 116.79 1m4p h LEU 20 Ca -0.06 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.81 1m4p h LEU 20 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1m4p h LEU 20 CO 0.09 0.39 -0.15 0.74 -0.00 0.00 0.00 178.44 179.52 1m4p h THR 21 N 0.68 0.59 -0.80 0.22 2.02 -0.07 -1.17 112.91 114.38 1m4p h THR 21 Ca 0.27 -0.74 0.14 0.00 0.77 0.00 0.00 66.41 66.85 1m4p h THR 21 Cb 0.21 0.91 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 1m4p h THR 21 CO -0.08 0.12 0.37 0.58 0.37 0.00 0.00 175.52 176.88 1m4p h VAL 22 N -0.88 0.70 0.00 3.16 2.07 0.13 0.76 116.25 122.19 1m4p h VAL 22 Ca -0.04 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1m4p h VAL 22 Cb 0.52 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1m4p h VAL 22 CO 0.07 0.10 -0.25 -0.09 0.02 0.00 0.00 177.57 177.42 1m4p h ARG 23 N 0.54 0.00 0.06 1.57 2.43 -0.68 0.22 114.38 118.52 1m4p h ARG 23 Ca 0.43 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.40 1m4p h ARG 23 Cb 0.63 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1m4p h ARG 23 CO -0.37 0.25 -0.84 1.49 -1.51 0.00 0.00 179.97 178.98 1m4p h GLU 24 N 0.00 0.46 -0.29 0.20 4.81 0.13 -1.39 114.58 118.51 1m4p h GLU 24 Ca -0.00 -0.58 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 1m4p h GLU 24 Cb 0.44 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1m4p h GLU 24 CO 0.03 1.22 -0.02 1.15 -0.73 0.00 0.00 179.01 180.67 1m4p h THR 25 N -0.03 1.26 -0.27 0.32 2.02 0.54 -2.60 112.91 114.15 1m4p h THR 25 Ca -0.12 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 1m4p h THR 25 Cb 1.57 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 1m4p h THR 25 CO 0.16 0.31 0.09 -0.37 0.37 0.00 0.00 175.52 176.09 1m4p h VAL 26 N 0.30 1.19 -0.78 3.16 -1.51 -0.66 -2.57 116.25 115.38 1m4p h VAL 26 Ca 0.08 -0.60 0.18 0.00 -1.23 0.00 0.00 66.70 65.13 1m4p h VAL 26 Cb 0.46 1.07 -0.13 0.00 -2.13 0.00 0.00 31.29 30.57 1m4p h VAL 26 CO 0.02 0.20 0.13 0.78 -1.23 0.00 0.00 177.57 177.47 1m4p h ASN 27 N 0.28 -0.12 0.06 4.19 4.21 -1.16 1.73 115.58 124.78 1m4p h ASN 27 Ca 0.09 0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.77 1m4p h ASN 27 Cb 0.22 0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1m4p h ASN 27 CO -0.00 -0.12 -0.04 0.58 -1.29 0.00 0.00 177.43 176.56 1m4p h VAL 28 N 0.19 0.00 -0.04 2.81 2.07 -1.08 0.37 116.25 120.57 1m4p h VAL 28 Ca 0.45 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.98 1m4p h VAL 28 Cb 0.83 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1m4p h VAL 28 CO -0.60 0.00 0.32 0.16 0.02 0.00 0.00 177.57 177.46 1m4p h ILE 29 N -0.09 0.04 0.00 4.57 3.07 -1.01 1.67 117.51 125.76 1m4p h ILE 29 Ca -0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1m4p h ILE 29 Cb 0.07 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 37.32 1m4p h ILE 29 CO 0.00 0.00 -0.17 0.74 -1.05 0.00 0.00 178.15 177.68 1m4p h THR 30 N 0.00 0.00 0.00 0.16 2.02 0.37 0.10 112.91 115.56 1m4p h THR 30 Ca 0.02 -0.92 -0.27 0.00 0.77 0.00 0.00 66.41 66.00 1m4p h THR 30 Cb 0.65 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 1m4p h THR 30 CO -0.00 0.00 -1.82 -0.11 0.37 0.00 0.00 175.52 173.96 1m4p n LEU 31 N -2.91 1.93 -0.10 2.58 7.94 0.53 -4.77 117.00 122.20 1m4p n LEU 31 Ca 0.04 0.36 -0.19 0.00 -1.11 0.00 0.00 56.01 55.11 1m4p n LEU 31 Cb 0.52 -0.81 -0.10 0.00 0.53 0.00 0.00 43.42 43.56 1m4p n LEU 31 CO 0.35 0.22 -0.50 1.88 -1.11 0.00 0.00 177.39 178.23 1m4p h TYR 32 N -1.00 0.00 -0.00 1.96 0.05 -0.46 -3.48 116.97 114.04 1m4p h TYR 32 Ca -0.41 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.37 1m4p h TYR 32 Cb 1.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.07 1m4p h TYR 32 CO -0.18 1.25 -0.00 1.17 -1.05 0.00 0.00 178.16 179.35 1m4p n LYS 33 N -4.46 -0.90 -0.02 4.88 4.81 0.02 -4.79 118.16 117.70 1m4p n LYS 33 Ca -0.28 0.23 0.07 0.00 -0.87 0.00 0.00 58.31 57.46 1m4p n LYS 33 Cb 0.61 -3.91 -0.14 0.00 0.02 0.00 0.00 35.03 31.62 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 -0.45 0.92 -4.78 3.14 8.00 -1.26 -4.98 116.55 117.13 1m4p n ASP 34 Ca -0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1m4p n ASP 34 Cb 0.23 1.71 0.13 0.00 -0.02 0.00 0.00 41.12 43.17 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4p s LEU 35 N -4.35 2.09 -0.20 0.64 1.02 -1.26 -3.37 118.68 113.24 1m4p s LEU 35 Ca -0.07 0.91 -0.04 0.00 0.02 0.00 0.00 54.13 54.95 1m4p s LEU 35 Cb 0.11 -3.25 0.10 0.00 0.02 0.00 0.00 46.19 43.17 1m4p s LEU 35 CO 0.74 -2.46 0.33 -0.75 0.02 0.00 0.00 176.35 174.22 1m4p s LYS 36 N -5.35 0.27 -0.16 1.70 2.47 0.32 -4.90 119.74 114.10 1m4p s LYS 36 Ca 0.64 0.60 -0.29 0.00 -1.56 0.00 0.00 55.97 55.36 1m4p s LYS 36 Cb -0.14 -0.38 -0.02 0.00 -1.46 0.00 0.00 37.83 35.83 1m4p s LYS 36 CO 0.53 -0.50 1.27 -1.25 0.16 0.00 0.00 175.35 175.56 1m4p s PRO 37 N 2.49 4.23 0.26 4.03 0.04 -1.26 -1.64 135.00 143.15 1m4p s PRO 37 Ca 0.07 1.68 0.10 0.00 0.04 0.00 0.00 61.00 62.88 1m4p s PRO 37 Cb -0.14 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 1m4p s PRO 37 CO -0.13 -0.71 -0.03 0.54 0.04 0.00 0.00 177.00 176.71 1m4p s VAL 38 N 3.49 3.34 -0.12 -0.36 0.11 0.11 -5.01 120.40 121.97 1m4p s VAL 38 Ca 0.55 -1.95 0.01 0.00 -2.93 0.00 0.00 61.98 57.67 1m4p s VAL 38 Cb -0.22 -2.77 -0.01 0.00 -1.53 0.00 0.00 36.38 31.85 1m4p s VAL 38 CO 0.15 -0.36 -0.17 -0.22 -3.33 0.00 0.00 175.10 171.17 1m4p s LEU 39 N -3.60 2.47 0.15 2.54 1.98 -1.26 -1.69 118.68 119.26 1m4p s LEU 39 Ca 0.31 -0.42 -0.14 0.00 -2.89 0.00 0.00 54.13 50.99 1m4p s LEU 39 Cb -0.06 -1.53 0.02 0.00 0.66 0.00 0.00 46.19 45.27 1m4p s LEU 39 CO 0.19 0.15 0.37 -0.62 -1.89 0.00 0.00 176.35 174.56 1m4p s ASP 40 N 0.39 -0.13 -0.05 3.68 -1.08 -0.98 -4.99 116.67 113.52 1m4p s ASP 40 Ca -0.13 -0.53 0.03 0.00 -0.52 0.00 0.00 52.55 51.40 1m4p s ASP 40 Cb -0.17 0.47 0.01 0.00 -1.46 0.00 0.00 42.92 41.77 1m4p s ASP 40 CO 0.06 -0.89 -0.13 -0.55 0.52 0.00 0.00 175.17 174.18 1m4p s SER 41 N -2.87 1.76 0.23 -0.34 0.15 -1.26 -1.53 113.70 109.84 1m4p s SER 41 Ca 0.08 -0.29 0.11 0.00 0.70 0.00 0.00 55.95 56.55 1m4p s SER 41 Cb 0.02 -0.62 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 1m4p s SER 41 CO -0.07 0.08 -0.21 -0.47 1.20 0.00 0.00 173.24 173.78 1m4p s TYR 42 N 0.33 2.17 0.21 3.44 5.04 -0.32 -4.70 117.35 123.52 1m4p s TYR 42 Ca -0.08 -0.38 -0.23 0.00 -2.44 0.00 0.00 57.07 53.94 1m4p s TYR 42 Cb -0.12 -1.01 -0.08 0.00 0.35 0.00 0.00 41.96 41.09 1m4p s TYR 42 CO 0.02 0.56 0.77 0.14 -1.34 0.00 0.00 175.55 175.70 1m4p s VAL 43 N -2.20 4.43 0.11 3.14 -7.23 -1.26 0.97 120.40 118.35 1m4p s VAL 43 Ca 0.24 1.55 0.00 0.00 -1.81 0.00 0.00 61.98 61.96 1m4p s VAL 43 Cb -0.06 -4.01 0.00 0.00 0.56 0.00 0.00 36.38 32.87 1m4p s VAL 43 CO 0.11 0.36 0.00 0.49 -0.31 0.00 0.00 175.10 175.75 1m4p n PHE 44 N 1.13 -1.49 -1.53 2.82 3.72 -0.49 -4.69 117.46 116.93 1m4p n PHE 44 Ca -0.04 0.25 -0.24 0.00 -0.05 0.00 0.00 57.45 57.38 1m4p n PHE 44 Cb 0.50 0.84 -0.12 0.00 -0.94 0.00 0.00 39.48 39.77 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 -2.80 0.83 -1.98 4.37 2.85 -1.25 -1.46 115.26 115.82 1m4p n ASN 45 Ca 0.00 -0.83 -0.07 0.00 -0.11 0.00 0.00 54.58 53.57 1m4p n ASN 45 Cb 0.00 -1.25 -0.01 0.00 1.24 0.00 0.00 39.78 39.76 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1m4p n ASP 46 N 13.59 -2.32 -0.43 1.20 2.03 -1.26 -0.75 116.55 128.61 1m4p n ASP 46 Ca 0.53 0.27 0.00 0.00 0.52 0.00 0.00 54.79 56.11 1m4p n ASP 46 Cb 0.32 -2.17 0.00 0.00 -0.72 0.00 0.00 41.12 38.56 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 -0.46 0.54 3.09 0.27 0.00 -0.53 -5.09 105.19 103.00 1m4p n GLY 47 Ca -0.08 -0.26 -0.32 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 -1.88 2.97 0.43 1.61 0.15 0.07 -4.72 113.70 112.32 1m4p s SER 48 Ca 0.00 -0.59 -0.22 0.00 0.70 0.00 0.00 55.95 55.84 1m4p s SER 48 Cb 0.00 -1.37 -0.13 0.00 -1.71 0.00 0.00 66.02 62.81 1m4p s SER 48 CO 0.00 -0.01 0.47 -1.54 1.20 0.00 0.00 173.24 173.36 1m4p n SER 49 N 4.60 -1.21 -3.76 5.45 3.41 -1.26 -1.39 113.62 119.45 1m4p n SER 49 Ca -0.20 0.88 -0.13 0.00 -0.26 0.00 0.00 58.87 59.17 1m4p n SER 49 Cb 0.50 -1.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.25 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 -1.52 0.28 -0.06 4.33 3.52 0.27 -4.81 118.95 120.96 1m4p s ARG 50 Ca 0.63 0.42 -0.30 0.00 -0.13 0.00 0.00 55.73 56.36 1m4p s ARG 50 Cb -0.60 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.83 1m4p s ARG 50 CO 0.59 -0.08 1.20 -2.00 -0.81 0.00 0.00 175.30 174.20 1m4p s GLU 51 N 0.50 4.35 0.26 5.12 2.56 -1.26 -1.18 118.70 129.04 1m4p s GLU 51 Ca -0.03 1.67 -0.10 0.00 0.00 0.00 0.00 54.97 56.51 1m4p s GLU 51 Cb -0.04 -3.57 -0.01 0.00 2.00 0.00 0.00 34.13 32.51 1m4p s GLU 51 CO -0.03 -0.46 0.44 -0.51 -0.56 0.00 0.00 175.26 174.15 1m4p s LEU 52 N 2.29 0.51 0.25 2.70 1.43 -0.58 -4.98 118.68 120.29 1m4p s LEU 52 Ca 0.56 -1.07 0.11 0.00 -1.03 0.00 0.00 54.13 52.69 1m4p s LEU 52 Cb -0.24 1.59 -0.05 0.00 0.03 0.00 0.00 46.19 47.52 1m4p s LEU 52 CO 0.21 -1.14 -0.12 -0.32 0.23 0.00 0.00 176.35 175.21 1m4p s MET 53 N -3.85 1.94 0.08 1.70 1.75 -1.26 -2.31 119.30 117.34 1m4p s MET 53 Ca 0.25 -1.54 -0.10 0.00 -1.25 0.00 0.00 55.69 53.05 1m4p s MET 53 Cb 0.00 -1.98 0.01 0.00 2.84 0.00 0.00 34.83 35.70 1m4p s MET 53 CO 0.11 0.37 0.23 0.54 -0.65 0.00 0.00 175.02 175.62 1m4p s ASN 54 N -3.36 0.03 0.08 1.11 4.22 -0.68 -1.33 114.94 115.01 1m4p s ASN 54 Ca 0.29 -0.50 0.08 0.00 -2.14 0.00 0.00 52.86 50.59 1m4p s ASN 54 Cb -0.06 0.35 -0.04 0.00 1.28 0.00 0.00 41.25 42.78 1m4p s ASN 54 CO 0.16 -0.70 -0.20 -0.76 -2.04 0.00 0.00 177.10 173.56 1m4p s LEU 55 N -2.63 2.57 -0.21 3.54 2.01 0.59 -0.71 118.68 123.84 1m4p s LEU 55 Ca 0.02 -0.53 -0.27 0.00 0.01 0.00 0.00 54.13 53.36 1m4p s LEU 55 Cb 0.03 -1.47 0.08 0.00 0.01 0.00 0.00 46.19 44.84 1m4p s LEU 55 CO -0.09 0.22 0.77 0.28 1.01 0.00 0.00 176.35 178.54 1m4p s THR 56 N -1.01 0.00 -3.06 5.49 -1.32 -0.65 -2.22 115.64 112.86 1m4p s THR 56 Ca 0.16 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.64 1m4p s THR 56 Cb -0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.89 1m4p s THR 56 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1m4p n GLY 57 N 2.07 -1.29 3.04 6.08 0.00 -1.11 0.12 105.19 114.10 1m4p n GLY 57 Ca -0.15 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.00 2.54 0.29 2.61 -4.23 -1.22 -0.56 115.64 112.07 1m4p s THR 58 Ca 0.00 -2.33 -0.23 0.00 -1.18 0.00 0.00 61.69 57.94 1m4p s THR 58 Cb 0.00 -2.83 -0.09 0.00 1.34 0.00 0.00 72.50 70.91 1m4p s THR 58 CO 0.00 -0.63 0.86 0.27 -0.54 0.00 0.00 174.62 174.57 1m4p s ILE 59 N 0.89 4.36 -0.32 2.99 -4.36 0.37 -4.68 121.20 120.44 1m4p s ILE 59 Ca 0.11 1.60 -0.29 0.00 -0.26 0.00 0.00 60.65 61.80 1m4p s ILE 59 Cb -0.20 -3.94 0.00 0.00 1.25 0.00 0.00 42.46 39.57 1m4p s ILE 59 CO -0.07 0.15 1.36 -2.16 0.24 0.00 0.00 174.94 174.47 1m4p s PRO 60 N -2.06 3.81 -0.42 0.37 0.04 -1.26 -0.98 135.00 134.50 1m4p s PRO 60 Ca 0.48 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1m4p s PRO 60 Cb -0.17 -3.93 0.03 0.00 0.04 0.00 0.00 34.50 30.46 1m4p s PRO 60 CO 0.22 -1.26 0.31 0.08 0.04 0.00 0.00 177.00 176.39 1m4p s VAL 61 N 4.75 5.19 0.47 -0.36 1.01 -0.36 -4.91 120.40 126.19 1m4p s VAL 61 Ca 0.59 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1m4p s VAL 61 Cb -0.17 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 1m4p s VAL 61 CO 0.26 -0.36 1.04 -2.16 0.00 0.00 0.00 175.10 173.88 1m4p s PRO 62 N 1.66 3.87 -0.06 2.72 0.04 -1.26 -1.57 135.00 140.40 1m4p s PRO 62 Ca 0.05 1.39 0.13 0.00 0.04 0.00 0.00 61.00 62.61 1m4p s PRO 62 Cb -0.20 -2.18 0.26 0.00 0.04 0.00 0.00 34.50 32.42 1m4p s PRO 62 CO 0.09 -0.38 1.12 0.66 0.04 0.00 0.00 177.00 178.53 1m4p n TYR 63 N -0.79 0.00 -2.37 0.56 4.02 0.40 -4.44 117.16 114.54 1m4p n TYR 63 Ca 0.08 -0.60 -0.03 0.00 -0.01 0.00 0.00 57.90 57.34 1m4p n TYR 63 Cb 0.52 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 1m4p n TYR 63 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1m4p n ARG 64 N -0.30 -1.88 0.00 -0.72 1.74 -1.26 -4.55 116.66 109.69 1m4p n ARG 64 Ca 0.08 1.76 0.00 0.00 -0.77 0.00 0.00 57.85 58.92 1m4p n ARG 64 Cb 0.83 -4.16 0.00 0.00 -1.02 0.00 0.00 32.46 28.11 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 -0.05 2.00 3.47 -0.13 0.00 -1.26 -5.06 105.19 104.15 1m4p n GLY 65 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1m4p n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m4p s ASN 66 N -1.57 -0.00 -0.26 1.61 4.22 -1.26 -5.15 114.94 112.52 1m4p s ASN 66 Ca 0.00 -1.08 -0.02 0.00 -2.14 0.00 0.00 52.86 49.62 1m4p s ASN 66 Cb 0.00 0.52 0.14 0.00 1.28 0.00 0.00 41.25 43.20 1m4p s ASN 66 CO 0.00 -1.05 0.40 -0.89 -2.04 0.00 0.00 177.10 173.52 1m4p s THR 67 N -4.05 -0.64 0.00 0.54 2.01 -1.26 -0.45 115.64 111.78 1m4p s THR 67 Ca 0.28 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1m4p s THR 67 Cb 0.02 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.66 1m4p s THR 67 CO 0.10 -0.15 0.00 -1.22 -0.69 0.00 0.00 174.62 172.66 1m4p n TYR 68 N 5.37 -2.66 -3.94 4.92 4.02 -0.61 -4.78 117.16 119.48 1m4p n TYR 68 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.57 1m4p n TYR 68 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.66 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 -1.00 3.39 -0.01 7.72 0.01 -1.26 -1.22 114.94 122.57 1m4p s ASN 69 Ca 0.00 -0.93 0.02 0.00 -0.71 0.00 0.00 52.86 51.24 1m4p s ASN 69 Cb 0.00 -1.10 -0.03 0.00 0.41 0.00 0.00 41.25 40.52 1m4p s ASN 69 CO 0.00 -0.19 -0.03 -0.51 -1.51 0.00 0.00 177.10 174.85 1m4p s ILE 70 N 1.48 3.94 0.57 0.60 2.07 -0.15 -4.90 121.20 124.80 1m4p s ILE 70 Ca -0.02 -0.62 -0.17 0.00 -1.41 0.00 0.00 60.65 58.43 1m4p s ILE 70 Cb -0.17 -2.72 -0.05 0.00 0.13 0.00 0.00 42.46 39.65 1m4p s ILE 70 CO -0.07 0.43 1.05 -2.16 -1.91 0.00 0.00 174.94 172.27 1m4p s PRO 71 N -1.36 3.47 -0.00 3.50 0.04 -1.26 -0.48 135.00 138.91 1m4p s PRO 71 Ca 0.17 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1m4p s PRO 71 Cb -0.11 -2.05 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 1m4p s PRO 71 CO 0.08 -0.69 0.06 0.42 0.04 0.00 0.00 177.00 176.91 1m4p s ILE 72 N -2.39 0.07 -0.19 0.56 -1.09 0.27 -4.16 121.20 114.27 1m4p s ILE 72 Ca 0.64 -0.57 -0.11 0.00 -2.23 0.00 0.00 60.65 58.38 1m4p s ILE 72 Cb -0.15 -0.28 0.06 0.00 -1.58 0.00 0.00 42.46 40.51 1m4p s ILE 72 CO 0.33 -0.31 0.47 0.00 -1.23 0.00 0.00 174.94 174.20 1m4p s LEU 74 N 1.36 -0.49 0.52 0.00 2.34 -0.94 0.17 118.68 121.63 1m4p s LEU 74 Ca -0.09 0.22 0.03 0.00 0.06 0.00 0.00 54.13 54.35 1m4p s LEU 74 Cb -0.07 2.27 0.03 0.00 -0.56 0.00 0.00 46.19 47.86 1m4p s LEU 74 CO -0.13 -0.67 0.72 0.26 -1.06 0.00 0.00 176.35 175.47 1m4p s TRP 75 N -2.56 2.86 -0.18 3.48 0.52 -1.07 -0.30 118.94 121.69 1m4p s TRP 75 Ca -0.01 -0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.02 1m4p s TRP 75 Cb -0.01 -2.66 0.04 0.00 -1.15 0.00 0.00 33.47 29.70 1m4p s TRP 75 CO -0.04 -0.76 -0.08 -1.17 0.02 0.00 0.00 176.95 174.92 1m4p s LEU 76 N -4.66 1.89 0.00 2.99 2.96 -0.44 -4.66 118.68 116.76 1m4p s LEU 76 Ca 0.57 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1m4p s LEU 76 Cb -0.10 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.52 1m4p s LEU 76 CO 0.37 -0.16 0.00 0.18 -1.32 0.00 0.00 176.35 175.43 1m4p n LEU 77 N 4.79 0.00 -0.90 -0.68 7.99 -1.26 -4.32 117.00 122.61 1m4p n LEU 77 Ca -0.13 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 55.87 1m4p n LEU 77 Cb 0.47 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1m4p n LEU 77 CO 0.18 -1.31 0.20 0.47 -1.51 0.00 0.00 177.39 175.42 1m4p n ASP 78 N -2.16 0.22 -0.34 -1.43 9.92 -1.26 -4.81 116.55 116.69 1m4p n ASP 78 Ca 0.00 -1.86 0.00 0.00 -0.53 0.00 0.00 54.79 52.40 1m4p n ASP 78 Cb 0.00 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 1m4p n ASP 78 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1m4p n THR 79 N 0.17 0.00 -1.14 -3.53 -1.04 -1.26 -2.20 114.28 105.27 1m4p n THR 79 Ca -0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 1m4p n THR 79 Cb 0.83 0.63 0.05 0.00 -1.82 0.00 0.00 70.33 70.01 1m4p n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m4p n TYR 80 N 0.00 -2.79 -2.47 -1.42 4.19 -1.26 -4.41 117.16 109.00 1m4p n TYR 80 Ca 0.00 0.26 -0.42 0.00 3.31 0.00 0.00 57.90 61.05 1m4p n TYR 80 Cb 0.63 -1.69 -0.03 0.00 0.49 0.00 0.00 39.34 38.73 1m4p n TYR 80 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1m4p s PRO 81 N -2.08 4.50 0.00 2.98 0.04 -1.26 -4.87 135.00 134.32 1m4p s PRO 81 Ca 0.55 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1m4p s PRO 81 Cb -0.33 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1m4p s PRO 81 CO 0.69 -0.11 0.00 0.98 0.04 0.00 0.00 177.00 178.59 1m4p n TYR 82 N 3.26 -0.45 -1.30 0.56 9.36 -1.26 -5.07 117.16 122.26 1m4p n TYR 82 Ca 0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.28 1m4p n TYR 82 Cb 0.46 0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.39 1m4p n TYR 82 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1m4p n ASN 83 N -1.94 -3.90 -4.72 2.98 2.85 -1.26 -4.95 115.26 104.33 1m4p n ASN 83 Ca 0.00 0.46 -0.42 0.00 -0.11 0.00 0.00 54.58 54.51 1m4p n ASN 83 Cb 0.00 -2.06 -0.03 0.00 1.24 0.00 0.00 39.78 38.93 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 -1.72 4.48 0.00 1.20 0.04 -1.26 -4.91 135.00 132.83 1m4p s PRO 84 Ca 0.00 1.73 0.23 0.00 0.04 0.00 0.00 61.00 63.00 1m4p s PRO 84 Cb 0.00 -3.34 1.32 0.00 0.04 0.00 0.00 34.50 32.52 1m4p s PRO 84 CO 0.00 -0.16 1.77 -0.35 0.04 0.00 0.00 177.00 178.31 1m4p n PRO 85 N 3.51 0.59 -2.79 0.56 -0.04 -1.26 -4.48 135.00 131.08 1m4p n PRO 85 Ca 0.07 0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 1m4p n PRO 85 Cb 0.47 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.22 4.44 -0.27 0.52 -1.09 -1.26 -4.92 121.20 116.41 1m4p s ILE 86 Ca 0.30 -1.33 -0.00 0.00 -2.23 0.00 0.00 60.65 57.39 1m4p s ILE 86 Cb 0.16 -4.89 0.08 0.00 -1.58 0.00 0.00 42.46 36.23 1m4p s ILE 86 CO 0.30 -1.67 0.03 0.00 -1.23 0.00 0.00 174.94 172.38 1m4p s PHE 88 N 1.53 0.44 0.26 0.00 -0.71 0.12 -1.03 117.98 118.60 1m4p s PHE 88 Ca 0.03 -0.12 -0.15 0.00 -1.04 0.00 0.00 56.93 55.65 1m4p s PHE 88 Cb -0.18 -0.28 -0.08 0.00 -1.21 0.00 0.00 43.02 41.27 1m4p s PHE 88 CO -0.14 -0.02 0.69 0.54 -1.34 0.00 0.00 175.22 174.95 1m4p s VAL 89 N -0.23 4.70 -0.70 -2.49 0.11 0.50 -0.47 120.40 121.83 1m4p s VAL 89 Ca 0.01 0.96 0.02 0.00 -2.93 0.00 0.00 61.98 60.04 1m4p s VAL 89 Cb -0.03 -3.69 0.17 0.00 -1.53 0.00 0.00 36.38 31.30 1m4p s VAL 89 CO -0.00 -0.01 0.50 -0.54 -3.33 0.00 0.00 175.10 171.72 1m4p s LYS 90 N -2.57 2.56 0.00 1.54 -0.14 -1.26 -4.48 119.74 115.39 1m4p s LYS 90 Ca 0.48 -3.06 0.00 0.00 -1.36 0.00 0.00 55.97 52.03 1m4p s LYS 90 Cb -0.13 -3.57 0.00 0.00 -1.68 0.00 0.00 37.83 32.46 1m4p s LYS 90 CO 0.19 -1.23 0.00 -0.35 -0.76 0.00 0.00 175.35 173.20 1m4p n PRO 91 N 2.51 -0.20 -0.11 -1.68 -0.04 -1.26 -4.60 135.00 129.61 1m4p n PRO 91 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1m4p n PRO 91 Cb 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 1m4p n PRO 91 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1m4p n THR 92 N -1.85 0.00 -0.09 0.52 -2.24 -1.26 -5.05 114.28 104.31 1m4p n THR 92 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1m4p n THR 92 Cb 0.00 -0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 67.55 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 -0.16 0.10 -0.03 3.42 7.64 -1.26 -4.11 113.62 119.23 1m4p n SER 93 Ca 0.00 0.05 0.14 0.00 1.01 0.00 0.00 58.87 60.07 1m4p n SER 93 Cb 0.00 0.89 0.67 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.77 0.15 -3.18 6.43 2.88 -1.26 -4.84 113.62 111.02 1m4p n SER 94 Ca -0.30 -0.14 -0.16 0.00 -1.33 0.00 0.00 58.87 56.93 1m4p n SER 94 Cb 1.13 -0.24 0.11 0.00 -0.75 0.00 0.00 64.21 64.46 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 -1.25 -0.57 -3.42 -1.46 2.00 -1.26 -4.48 117.12 106.68 1m4p n MET 95 Ca 0.13 -1.27 -0.19 0.00 0.00 0.00 0.00 57.70 56.36 1m4p n MET 95 Cb 0.27 -0.71 -0.10 0.00 0.00 0.00 0.00 33.22 32.68 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 -2.49 -0.35 0.23 2.03 2.01 -1.25 -4.97 115.64 110.86 1m4p s THR 96 Ca 0.43 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 1m4p s THR 96 Cb -0.01 -0.97 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 1m4p s THR 96 CO 0.30 -0.52 1.38 -0.63 -0.69 0.00 0.00 174.62 174.46 1m4p s ILE 97 N 2.25 2.89 -0.16 1.82 1.01 -1.26 -3.46 121.20 124.29 1m4p s ILE 97 Ca 0.10 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.45 1m4p s ILE 97 Cb -0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1m4p s ILE 97 CO -0.31 0.12 -0.01 -0.75 0.00 0.00 0.00 174.94 173.99 1m4p s LYS 98 N -0.34 3.76 -0.09 2.79 2.36 -1.07 -4.97 119.74 122.17 1m4p s LYS 98 Ca 0.58 -0.47 -0.09 0.00 -2.55 0.00 0.00 55.97 53.43 1m4p s LYS 98 Cb -0.40 -3.01 -0.05 0.00 -1.05 0.00 0.00 37.83 33.33 1m4p s LYS 98 CO 0.42 0.24 0.22 0.95 1.55 0.00 0.00 175.35 178.72 1m4p s THR 99 N 0.39 5.37 0.00 3.43 -4.23 -1.26 -4.44 115.64 114.90 1m4p s THR 99 Ca -0.02 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1m4p s THR 99 Cb -0.14 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1m4p s THR 99 CO 0.02 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 1m4p n GLY 100 N 2.07 1.77 2.41 3.99 0.00 -0.26 -4.96 105.19 110.22 1m4p n GLY 100 Ca -0.18 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 2.50 0.20 1.61 4.76 -1.26 -4.37 118.16 121.60 1m4p n LYS 101 Ca 0.00 -2.90 0.00 0.00 -2.87 0.00 0.00 58.31 52.54 1m4p n LYS 101 Cb 0.00 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.05 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1m4p n HIS 102 N -0.36 -4.39 -4.09 2.13 8.25 -1.26 -4.87 115.22 110.63 1m4p n HIS 102 Ca 0.53 1.37 -0.36 0.00 -0.26 0.00 0.00 57.72 59.00 1m4p n HIS 102 Cb 0.53 3.48 -0.08 0.00 1.12 0.00 0.00 29.99 35.04 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 -1.80 4.87 -0.03 1.59 1.01 -1.26 -0.83 120.40 123.95 1m4p s VAL 103 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1m4p s VAL 103 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1m4p s VAL 103 CO 0.00 0.57 -0.04 -0.78 0.00 0.00 0.00 175.10 174.85 1m4p h ASP 104 N 5.54 0.00 0.00 3.32 3.58 -1.85 -0.67 116.42 126.34 1m4p h ASP 104 Ca -0.48 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.89 1m4p h ASP 104 Cb 1.20 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.15 1m4p h ASP 104 CO 0.60 0.16 0.19 0.00 -2.88 0.00 0.00 179.24 177.31 1m4p n ALA 105 N -2.54 -2.99 0.00 -0.78 0.00 -1.26 -4.52 120.51 108.43 1m4p n ALA 105 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1m4p n ALA 105 Cb 0.05 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.02 0.00 0.00 0.00 5.15 -1.26 -5.01 115.26 114.12 1m4p n ASN 106 Ca -0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 1m4p n ASN 106 Cb 0.69 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 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 -0.75 1.05 3.74 8.20 0.00 -1.26 -4.78 105.19 111.38 1m4p n GLY 107 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.63 0.25 1.61 -2.85 -1.26 -0.37 119.74 121.76 1m4p s LYS 108 Ca 0.00 1.65 -0.27 0.00 -1.00 0.00 0.00 55.97 56.35 1m4p s LYS 108 Cb 0.00 -3.29 -0.09 0.00 -2.06 0.00 0.00 37.83 32.39 1m4p s LYS 108 CO 0.00 0.14 0.89 0.42 0.10 0.00 0.00 175.35 176.90 1m4p s ILE 109 N -0.29 4.22 -0.42 3.79 1.01 -0.20 -3.90 121.20 125.42 1m4p s ILE 109 Ca 0.48 1.85 0.03 0.00 0.00 0.00 0.00 60.65 63.00 1m4p s ILE 109 Cb -0.28 -4.14 0.16 0.00 0.01 0.00 0.00 42.46 38.21 1m4p s ILE 109 CO 0.34 0.36 0.30 -0.47 0.00 0.00 0.00 174.94 175.47 1m4p s TYR 110 N -1.35 1.25 -0.16 3.97 6.14 -0.01 -4.87 117.35 122.32 1m4p s TYR 110 Ca 0.43 -2.19 -0.20 0.00 0.64 0.00 0.00 57.07 55.76 1m4p s TYR 110 Cb -0.22 -1.15 0.05 0.00 0.42 0.00 0.00 41.96 41.06 1m4p s TYR 110 CO 0.27 -0.80 0.52 -0.51 0.64 0.00 0.00 175.55 175.67 1m4p s LEU 111 N 0.30 0.00 -0.26 6.97 1.43 -1.26 -4.51 118.68 121.35 1m4p s LEU 111 Ca 0.26 0.90 -0.05 0.00 -1.03 0.00 0.00 54.13 54.21 1m4p s LEU 111 Cb -0.08 1.84 -0.17 0.00 0.03 0.00 0.00 46.19 47.80 1m4p s LEU 111 CO -0.11 -0.27 2.78 -0.81 0.23 0.00 0.00 176.35 178.17 1m4p n PRO 112 N 2.37 1.78 -0.00 1.29 -0.04 -1.26 -4.11 135.00 135.03 1m4p n PRO 112 Ca -0.15 -0.97 -0.11 0.00 -0.04 0.00 0.00 63.50 62.23 1m4p n PRO 112 Cb 0.56 -2.03 -0.14 0.00 -0.04 0.00 0.00 33.50 31.86 1m4p n PRO 112 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1m4p h TYR 113 N 4.16 0.10 0.00 0.54 -0.00 -2.00 -3.28 116.97 116.49 1m4p h TYR 113 Ca 0.25 -0.08 -0.17 0.00 0.00 0.00 0.00 58.73 58.73 1m4p h TYR 113 Cb 0.95 -0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.65 1m4p h TYR 113 CO 1.67 1.14 -0.82 1.25 -0.00 0.00 0.00 178.16 181.39 1m4p h LEU 114 N 0.02 0.00 -3.72 0.10 6.46 -2.01 -3.15 115.31 113.01 1m4p h LEU 114 Ca -0.27 0.00 -0.46 0.00 -0.12 0.00 0.00 57.88 57.03 1m4p h LEU 114 Cb 1.99 0.00 -0.26 0.00 -0.73 0.00 0.00 40.66 41.66 1m4p h LEU 114 CO 0.09 0.82 0.59 1.57 -0.62 0.00 0.00 178.44 180.89 1m4p n HIS 115 N -3.32 2.63 0.04 1.25 -0.00 -1.25 -4.10 115.22 110.46 1m4p n HIS 115 Ca 0.01 -1.80 0.00 0.00 0.46 0.00 0.00 57.72 56.38 1m4p n HIS 115 Cb 0.86 -0.91 0.00 0.00 -0.12 0.00 0.00 29.99 29.82 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 -0.85 0.00 0.00 1.57 2.13 -1.19 -4.96 120.64 117.34 1m4p n GLU 116 Ca 0.51 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1m4p n GLU 116 Cb 1.37 -0.20 0.00 0.00 0.27 0.00 0.00 31.44 32.88 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 -3.03 0.00 -4.34 4.31 -0.00 -1.22 -4.81 117.44 108.35 1m4p n TRP 117 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 57.12 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 -2.09 -0.19 5.87 4.81 -1.26 -4.79 118.16 120.06 1m4p n LYS 118 Ca 0.00 0.27 -0.00 0.00 -0.87 0.00 0.00 58.31 57.70 1m4p n LYS 118 Cb 0.00 -4.82 0.10 0.00 0.02 0.00 0.00 35.03 30.33 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4p h HIS 119 N -1.30 0.30 -0.01 5.64 2.76 -1.95 -3.45 115.15 117.14 1m4p h HIS 119 Ca -0.60 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.54 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 0.65 0.04 -0.23 -1.00 -1.30 0.00 0.00 177.93 176.09 1m4p h PRO 120 N 0.33 0.18 0.00 5.26 0.13 -1.98 -3.49 132.00 132.43 1m4p h PRO 120 Ca 0.30 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1m4p h PRO 120 Cb 0.40 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.57 1m4p h PRO 120 CO -0.34 0.88 0.00 0.94 -0.23 0.00 0.00 178.00 179.26 1m4p n GLN 121 N -4.53 0.00 -1.29 0.86 0.00 -1.26 -4.80 117.38 106.36 1m4p n GLN 121 Ca -0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.00 56.54 1m4p n GLN 121 Cb 0.48 0.00 0.05 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 0.23 -1.91 -3.97 1.69 2.88 -1.26 -5.01 113.62 106.28 1m4p n SER 122 Ca 0.00 0.61 -0.22 0.00 -1.33 0.00 0.00 58.87 57.93 1m4p n SER 122 Cb 0.00 -1.11 -0.09 0.00 -0.75 0.00 0.00 64.21 62.26 1m4p n SER 122 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1m4p s ASP 123 N -1.28 2.22 0.32 -3.46 1.47 -1.26 -4.97 116.67 109.71 1m4p s ASP 123 Ca 0.63 -1.64 0.10 0.00 1.18 0.00 0.00 52.55 52.82 1m4p s ASP 123 Cb -0.39 0.45 0.91 0.00 -0.34 0.00 0.00 42.92 43.55 1m4p s ASP 123 CO 0.60 -0.93 1.73 0.25 0.68 0.00 0.00 175.17 177.50 1m4p h LEU 124 N 1.98 0.66 0.23 2.11 5.85 -1.94 0.84 115.31 125.04 1m4p h LEU 124 Ca -0.33 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1m4p h LEU 124 Cb 1.26 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1m4p h LEU 124 CO 0.53 0.09 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.52 1m4p h LEU 125 N 0.56 -0.31 -1.52 2.25 4.07 -1.95 -0.59 115.31 117.82 1m4p h LEU 125 Ca 0.65 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.57 1m4p h LEU 125 Cb 1.26 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.08 1m4p h LEU 125 CO -0.48 -0.21 -0.25 1.23 -1.08 0.00 0.00 178.44 177.66 1m4p h GLY 126 N -0.33 0.00 0.87 0.83 0.00 -0.94 -1.83 103.07 101.67 1m4p h GLY 126 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1m4p h GLY 126 CO 0.03 0.00 -0.37 -2.00 0.00 0.00 0.00 176.54 174.20 1m4p h LEU 127 N 0.00 -0.87 -2.58 3.11 7.12 0.12 -0.36 115.31 121.84 1m4p h LEU 127 Ca -0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1m4p h LEU 127 Cb 0.47 0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1m4p h LEU 127 CO 0.03 -0.54 0.03 0.40 -0.13 0.00 0.00 178.44 178.22 1m4p h ILE 128 N -1.17 0.37 -0.26 4.05 2.04 -1.01 -0.60 117.51 120.92 1m4p h ILE 128 Ca -0.11 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 1m4p h ILE 128 Cb 0.81 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1m4p h ILE 128 CO 0.17 0.00 -0.28 -0.61 0.00 0.00 0.00 178.15 177.43 1m4p h GLN 129 N 0.00 0.65 -0.78 2.37 4.15 -0.75 -1.75 115.11 118.99 1m4p h GLN 129 Ca 0.01 -0.35 0.01 0.00 0.77 0.00 0.00 58.65 59.08 1m4p h GLN 129 Cb 0.06 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1m4p h GLN 129 CO -0.00 0.96 0.51 0.28 -1.93 0.00 0.00 178.83 178.65 1m4p h VAL 130 N 0.37 1.21 -0.53 2.39 2.07 0.53 -1.63 116.25 120.65 1m4p h VAL 130 Ca 0.04 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1m4p h VAL 130 Cb 0.85 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1m4p h VAL 130 CO 0.07 0.20 0.09 0.24 0.02 0.00 0.00 177.57 178.19 1m4p h MET 131 N 1.06 0.83 0.00 1.57 2.86 -1.38 -1.17 114.93 118.71 1m4p h MET 131 Ca 0.29 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1m4p h MET 131 Cb -0.11 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1m4p h MET 131 CO -0.06 0.77 -0.20 0.82 1.06 0.00 0.00 176.91 179.30 1m4p h ILE 132 N 0.79 0.99 -0.01 -1.22 2.04 -0.46 1.46 117.51 121.11 1m4p h ILE 132 Ca 0.17 -0.72 -0.13 0.00 1.00 0.00 0.00 64.86 65.18 1m4p h ILE 132 Cb 0.35 1.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1m4p h ILE 132 CO 0.00 0.20 -0.50 0.58 0.00 0.00 0.00 178.15 178.43 1m4p h VAL 133 N 0.00 1.45 0.04 1.67 2.07 -0.41 0.32 116.25 121.38 1m4p h VAL 133 Ca -0.00 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 1m4p h VAL 133 Cb 0.39 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1m4p h VAL 133 CO 0.03 0.58 -0.02 0.58 0.02 0.00 0.00 177.57 178.76 1m4p h VAL 134 N -0.19 1.35 0.00 2.57 2.07 -0.77 -0.90 116.25 120.38 1m4p h VAL 134 Ca -0.06 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1m4p h VAL 134 Cb 1.22 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 1m4p h VAL 134 CO 0.10 0.33 0.00 -0.26 0.02 0.00 0.00 177.57 177.76 1m4p h PHE 135 N -0.64 0.00 0.04 1.57 0.04 0.19 0.34 116.94 118.48 1m4p h PHE 135 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.49 1m4p h PHE 135 Cb 0.58 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 1m4p h PHE 135 CO 0.12 0.00 -1.44 0.78 -0.60 0.00 0.00 178.31 177.17 1m4p h GLY 136 N 2.27 0.09 0.00 -1.45 0.00 -0.26 -3.39 103.07 100.33 1m4p h GLY 136 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 1m4p h GLY 136 CO 0.00 0.20 -1.01 -0.55 0.00 0.00 0.00 176.54 175.18 1m4p h ASP 137 N 0.02 0.00 -3.24 0.19 5.19 -0.80 -3.40 116.42 114.38 1m4p h ASP 137 Ca -0.19 -0.49 -0.67 0.00 -0.62 0.00 0.00 57.03 55.06 1m4p h ASP 137 Cb 1.94 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 41.32 1m4p h ASP 137 CO 0.12 1.33 -0.61 -1.61 -3.12 0.00 0.00 179.24 175.35 1m4p s GLU 138 N -2.32 2.98 -0.34 3.56 2.02 0.12 -5.07 118.70 119.66 1m4p s GLU 138 Ca -0.25 -0.45 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 1m4p s GLU 138 Cb 0.04 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1m4p s GLU 138 CO 0.54 0.68 1.37 -1.25 0.02 0.00 0.00 175.26 176.62 1m4p s PRO 139 N -1.24 3.76 0.24 0.39 0.04 -1.26 -4.00 135.00 132.93 1m4p s PRO 139 Ca 0.17 1.14 0.11 0.00 0.04 0.00 0.00 61.00 62.46 1m4p s PRO 139 Cb -0.12 -3.95 0.21 0.00 0.04 0.00 0.00 34.50 30.68 1m4p s PRO 139 CO 0.07 -1.33 1.52 -1.00 0.04 0.00 0.00 177.00 176.30 1m4p h PRO 140 N 10.01 0.00 0.00 0.56 0.13 -1.89 -3.41 132.00 137.40 1m4p h PRO 140 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1m4p h PRO 140 Cb 1.10 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.69 -0.13 1.55 -0.23 0.00 0.00 178.00 180.94 1m4p n VAL 141 N -3.60 0.00 -1.68 1.56 3.14 -1.26 -2.61 118.33 113.88 1m4p n VAL 141 Ca -0.01 -1.06 -0.44 0.00 -2.96 0.00 0.00 64.34 59.87 1m4p n VAL 141 Cb 0.70 1.09 -0.04 0.00 -1.06 0.00 0.00 33.84 34.54 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 2.47 -1.97 1.45 -1.74 -1.22 -4.14 117.46 112.36 1m4p n PHE 142 Ca -0.06 -0.11 -0.28 0.00 -0.56 0.00 0.00 57.45 56.44 1m4p n PHE 142 Cb 0.74 -2.71 0.10 0.00 1.52 0.00 0.00 39.48 39.13 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 3.25 4.39 -0.17 5.98 0.15 -1.26 -3.91 113.70 122.13 1m4p s SER 143 Ca 0.86 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 58.14 1m4p s SER 143 Cb -0.56 -1.11 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 1m4p s SER 143 CO 0.42 -1.95 -0.12 -0.13 1.20 0.00 0.00 173.24 172.67 1m4p s ARG 144 N -5.55 3.32 0.00 5.44 0.52 -1.26 -4.98 118.95 116.43 1m4p s ARG 144 Ca 0.63 -0.69 0.24 0.00 -0.52 0.00 0.00 55.73 55.39 1m4p s ARG 144 Cb -0.10 -2.74 1.43 0.00 0.52 0.00 0.00 34.95 34.06 1m4p s ARG 144 CO 0.49 0.02 1.79 -0.35 0.02 0.00 0.00 175.30 177.27