#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 0.73 0.07 0.00 3.14 -1.26 -4.53 118.33 116.48 1m4p n VAL 3 Ca 0.00 -0.86 -0.15 0.00 -2.96 0.00 0.00 64.34 60.37 1m4p n VAL 3 Cb 0.00 0.76 -0.09 0.00 -1.06 0.00 0.00 33.84 33.46 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 4.19 -1.50 -0.97 6.55 0.02 -2.04 0.88 113.55 120.68 1m4p h SER 4 Ca 0.00 0.17 0.27 0.00 -0.84 0.00 0.00 61.79 61.39 1m4p h SER 4 Cb 0.96 0.57 -0.18 0.00 0.14 0.00 0.00 62.40 63.89 1m4p h SER 4 CO 0.00 -0.51 0.05 1.21 -1.14 0.00 0.00 176.83 176.44 1m4p n GLU 5 N -5.47 -0.08 -0.01 3.45 2.13 -1.26 0.15 120.64 119.56 1m4p n GLU 5 Ca -0.07 1.44 -0.12 0.00 0.66 0.00 0.00 57.16 59.07 1m4p n GLU 5 Cb 0.39 -2.30 -0.08 0.00 0.27 0.00 0.00 31.44 29.72 1m4p n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1m4p h SER 6 N 0.00 0.09 0.09 4.31 0.87 -1.48 -2.47 113.55 114.96 1m4p h SER 6 Ca 0.60 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 1m4p h SER 6 Cb 1.26 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1m4p h SER 6 CO -0.90 0.37 -0.03 -0.61 -0.53 0.00 0.00 176.83 175.13 1m4p h GLN 7 N -0.20 0.00 -0.09 2.24 4.15 0.31 0.77 115.11 122.29 1m4p h GLN 7 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1m4p h GLN 7 Cb 0.33 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1m4p h GLN 7 CO 0.00 0.03 -0.03 -0.07 -1.93 0.00 0.00 178.83 176.84 1m4p h LEU 8 N 0.00 0.18 -0.87 -2.39 -0.00 0.18 1.41 115.31 113.82 1m4p h LEU 8 Ca -0.00 -0.38 -0.12 0.00 -0.00 0.00 0.00 57.88 57.38 1m4p h LEU 8 Cb 0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1m4p h LEU 8 CO 0.00 0.52 -0.45 0.50 -0.00 0.00 0.00 178.44 179.01 1m4p h LYS 9 N -0.16 0.25 0.00 1.13 3.64 -0.92 -2.08 116.57 118.44 1m4p h LYS 9 Ca 0.02 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1m4p h LYS 9 Cb 0.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1m4p h LYS 9 CO 0.01 0.66 -0.25 1.63 -2.27 0.00 0.00 179.45 179.24 1m4p n LYS 10 N -3.99 0.16 0.05 1.90 5.02 0.18 -2.30 118.16 119.18 1m4p n LYS 10 Ca -0.02 0.09 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 1m4p n LYS 10 Cb 0.51 -1.64 0.50 0.00 -0.02 0.00 0.00 35.03 34.38 1m4p n LYS 10 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1m4p n MET 11 N -1.90 0.12 0.00 1.97 1.56 0.48 -4.59 117.12 114.76 1m4p n MET 11 Ca 0.05 0.13 0.00 0.00 -0.27 0.00 0.00 57.70 57.62 1m4p n MET 11 Cb 0.39 -1.65 0.00 0.00 2.15 0.00 0.00 33.22 34.11 1m4p n MET 11 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 1m4p n VAL 12 N -1.86 0.00 -2.39 1.12 0.24 -1.19 -4.81 118.33 109.44 1m4p n VAL 12 Ca 0.06 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.21 1m4p n VAL 12 Cb 0.36 -0.24 -0.01 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 -0.57 -4.59 0.00 -1.34 7.64 -0.97 -4.62 113.62 109.17 1m4p n SER 13 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1m4p n SER 13 Cb 0.00 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4p n LYS 14 N -2.84 0.00 -1.55 1.43 5.02 -1.26 -5.10 118.16 113.86 1m4p n LYS 14 Ca -0.18 0.00 -0.49 0.00 -2.02 0.00 0.00 58.31 55.62 1m4p n LYS 14 Cb 0.63 -0.11 -0.04 0.00 -0.02 0.00 0.00 35.03 35.50 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 -2.24 0.98 -0.23 2.13 4.02 -1.26 -4.84 117.16 115.72 1m4p n TYR 15 Ca 0.00 0.76 -0.09 0.00 -0.01 0.00 0.00 57.90 58.56 1m4p n TYR 15 Cb 0.00 -2.21 -0.04 0.00 -0.02 0.00 0.00 39.34 37.06 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 2.78 -0.20 -2.74 -0.72 3.64 -1.97 -1.42 116.57 115.94 1m4p h LYS 16 Ca -0.41 0.01 -0.78 0.00 -1.27 0.00 0.00 60.65 58.21 1m4p h LYS 16 Cb 1.36 0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 33.03 1m4p h LYS 16 CO 0.66 -0.13 1.64 0.66 -2.27 0.00 0.00 179.45 180.01 1m4p n TYR 17 N -5.39 2.63 0.08 1.91 4.01 -1.26 -4.73 117.16 114.41 1m4p n TYR 17 Ca 0.02 -2.69 0.18 0.00 -0.16 0.00 0.00 57.90 55.24 1m4p n TYR 17 Cb 0.34 -1.57 0.70 0.00 -0.31 0.00 0.00 39.34 38.51 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 4.87 0.00 0.00 -0.72 2.43 -1.60 1.38 114.38 120.75 1m4p h ARG 18 Ca 0.50 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.64 1m4p h ARG 18 Cb 0.43 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1m4p h ARG 18 CO 1.40 0.00 -0.32 0.38 -1.51 0.00 0.00 179.97 179.92 1m4p h ASP 19 N 0.00 0.00 -0.49 -3.80 3.04 -1.87 -2.74 116.42 110.56 1m4p h ASP 19 Ca 0.18 -0.24 0.13 0.00 -3.24 0.00 0.00 57.03 53.86 1m4p h ASP 19 Cb 0.75 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.02 1m4p h ASP 19 CO -0.00 0.80 0.35 0.25 -2.04 0.00 0.00 179.24 178.59 1m4p h LEU 20 N -1.00 0.06 0.34 0.15 5.85 -1.84 0.85 115.31 119.72 1m4p h LEU 20 Ca -0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1m4p h LEU 20 Cb 0.50 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1m4p h LEU 20 CO -0.03 0.03 -0.16 0.74 -0.34 0.00 0.00 178.44 178.68 1m4p h THR 21 N 0.06 0.49 -0.70 1.05 2.02 0.17 0.14 112.91 116.15 1m4p h THR 21 Ca 0.23 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1m4p h THR 21 Cb 0.84 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1m4p h THR 21 CO -0.02 0.11 0.40 0.58 0.37 0.00 0.00 175.52 176.96 1m4p h VAL 22 N -0.94 1.21 0.00 3.16 2.07 -1.02 -0.22 116.25 120.50 1m4p h VAL 22 Ca -0.05 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1m4p h VAL 22 Cb 0.52 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1m4p h VAL 22 CO 0.08 0.22 -0.00 -0.09 0.02 0.00 0.00 177.57 177.80 1m4p h ARG 23 N 0.96 0.00 0.02 1.57 9.65 0.66 0.22 114.38 127.46 1m4p h ARG 23 Ca 0.25 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.91 1m4p h ARG 23 Cb 0.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1m4p h ARG 23 CO -0.04 0.00 -0.94 0.93 2.80 0.00 0.00 179.97 182.72 1m4p h GLU 24 N 0.00 0.25 0.05 0.20 5.08 0.11 -2.97 114.58 117.30 1m4p h GLU 24 Ca -0.00 -0.29 -0.15 0.00 -1.00 0.00 0.00 59.36 57.92 1m4p h GLU 24 Cb 0.43 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1m4p h GLU 24 CO 0.00 1.02 -0.74 1.15 -1.00 0.00 0.00 179.01 179.45 1m4p h THR 25 N 0.13 1.39 -0.50 1.13 2.02 -0.79 -2.79 112.91 113.49 1m4p h THR 25 Ca -0.06 -2.36 0.09 0.00 0.77 0.00 0.00 66.41 64.85 1m4p h THR 25 Cb 1.59 2.96 -0.10 0.00 -1.74 0.00 0.00 68.15 70.86 1m4p h THR 25 CO 0.15 0.59 -0.31 -0.37 0.37 0.00 0.00 175.52 175.95 1m4p h VAL 26 N -0.72 0.23 -0.48 3.16 -1.51 -1.08 1.62 116.25 117.46 1m4p h VAL 26 Ca -0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 1m4p h VAL 26 Cb 1.36 0.23 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 1m4p h VAL 26 CO -0.00 0.00 0.26 -0.55 -1.23 0.00 0.00 177.57 176.05 1m4p h ASN 27 N -0.19 0.60 0.39 4.19 7.08 -1.67 0.74 115.58 126.73 1m4p h ASN 27 Ca 0.21 -0.09 -0.02 0.00 -3.08 0.00 0.00 56.30 53.32 1m4p h ASN 27 Cb 0.53 -0.15 -0.00 0.00 -2.08 0.00 0.00 38.32 36.62 1m4p h ASN 27 CO -0.60 0.52 -0.25 0.58 -2.08 0.00 0.00 177.43 175.59 1m4p h VAL 28 N 0.64 0.00 -0.41 6.14 2.07 -0.46 0.15 116.25 124.39 1m4p h VAL 28 Ca 0.17 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.81 1m4p h VAL 28 Cb 0.05 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1m4p h VAL 28 CO -0.03 0.00 0.31 0.16 0.02 0.00 0.00 177.57 178.04 1m4p h ILE 29 N -0.60 0.70 0.00 4.57 3.07 0.23 0.77 117.51 126.24 1m4p h ILE 29 Ca -0.05 0.00 -0.04 0.00 1.55 0.00 0.00 64.86 66.32 1m4p h ILE 29 Cb 0.48 0.77 -0.01 0.00 -0.27 0.00 0.00 36.82 37.80 1m4p h ILE 29 CO 0.04 0.00 -0.18 0.74 -1.05 0.00 0.00 178.15 177.71 1m4p h THR 30 N 0.00 0.46 0.00 0.16 2.02 0.13 1.44 112.91 117.13 1m4p h THR 30 Ca 0.19 -0.95 -0.20 0.00 0.77 0.00 0.00 66.41 66.23 1m4p h THR 30 Cb 0.82 1.67 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1m4p h THR 30 CO -0.00 0.17 -1.09 0.25 0.37 0.00 0.00 175.52 175.22 1m4p h LEU 31 N 0.00 0.01 0.00 2.58 5.85 0.33 -3.43 115.31 120.66 1m4p h LEU 31 Ca -0.00 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1m4p h LEU 31 Cb 0.66 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1m4p h LEU 31 CO 0.02 1.43 -0.32 1.88 -0.34 0.00 0.00 178.44 181.12 1m4p h TYR 32 N -0.97 0.00 0.00 1.25 0.05 -0.90 -3.48 116.97 112.91 1m4p h TYR 32 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1m4p h TYR 32 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 1m4p h TYR 32 CO 0.12 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 178.40 1m4p n LYS 33 N -4.32 0.00 -0.02 4.88 4.81 0.49 -4.81 118.16 119.19 1m4p n LYS 33 Ca -0.04 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.41 1m4p n LYS 33 Cb 0.16 -2.49 -0.08 0.00 0.02 0.00 0.00 35.03 32.65 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 2.57 -4.55 3.14 8.00 -1.26 -4.88 116.55 119.57 1m4p n ASP 34 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 1m4p n ASP 34 Cb 0.00 1.19 -0.03 0.00 -0.02 0.00 0.00 41.12 42.26 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 -4.13 3.23 -0.24 0.64 1.02 -1.26 -3.67 118.68 114.26 1m4p s LEU 35 Ca -0.04 -0.31 -0.29 0.00 0.02 0.00 0.00 54.13 53.51 1m4p s LEU 35 Cb 0.05 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.72 1m4p s LEU 35 CO 0.43 -2.01 1.04 -0.75 0.02 0.00 0.00 176.35 175.08 1m4p s LYS 36 N 6.11 4.23 -0.17 1.70 2.36 -0.70 -4.75 119.74 128.52 1m4p s LYS 36 Ca 0.47 1.31 -0.29 0.00 -2.55 0.00 0.00 55.97 54.90 1m4p s LYS 36 Cb -0.09 -3.65 -0.01 0.00 -1.05 0.00 0.00 37.83 33.03 1m4p s LYS 36 CO 0.14 -0.66 1.28 -1.25 1.55 0.00 0.00 175.35 176.41 1m4p s PRO 37 N 3.25 4.20 0.29 4.03 0.04 -1.26 -2.20 135.00 143.34 1m4p s PRO 37 Ca 0.44 1.65 0.12 0.00 0.04 0.00 0.00 61.00 63.25 1m4p s PRO 37 Cb -0.15 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.56 1m4p s PRO 37 CO 0.07 -0.75 -0.18 0.54 0.04 0.00 0.00 177.00 176.72 1m4p s VAL 38 N 3.59 2.49 0.01 -0.36 0.11 -0.01 -5.01 120.40 121.22 1m4p s VAL 38 Ca 0.56 -2.37 0.05 0.00 -2.93 0.00 0.00 61.98 57.28 1m4p s VAL 38 Cb -0.22 -2.35 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 1m4p s VAL 38 CO 0.16 -0.38 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.19 1m4p s LEU 39 N -3.52 2.79 0.02 2.54 1.98 -1.26 -0.17 118.68 121.06 1m4p s LEU 39 Ca 0.30 -0.30 0.04 0.00 -2.89 0.00 0.00 54.13 51.28 1m4p s LEU 39 Cb -0.04 -1.62 -0.02 0.00 0.66 0.00 0.00 46.19 45.18 1m4p s LEU 39 CO 0.15 0.28 -0.11 1.51 -1.89 0.00 0.00 176.35 176.29 1m4p s ASP 40 N -1.28 1.30 -0.05 3.68 -4.77 0.40 -4.86 116.67 111.08 1m4p s ASP 40 Ca 0.15 -0.35 0.02 0.00 -3.30 0.00 0.00 52.55 49.07 1m4p s ASP 40 Cb -0.11 -0.09 0.01 0.00 -1.09 0.00 0.00 42.92 41.65 1m4p s ASP 40 CO 0.05 0.03 -0.11 -0.55 0.70 0.00 0.00 175.17 175.29 1m4p s SER 41 N -0.83 1.56 -0.09 2.11 0.15 -1.26 -0.29 113.70 115.04 1m4p s SER 41 Ca 0.01 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.29 1m4p s SER 41 Cb -0.06 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.62 1m4p s SER 41 CO 0.00 0.04 0.29 -0.47 1.20 0.00 0.00 173.24 174.30 1m4p s TYR 42 N 0.56 -0.28 0.35 3.44 5.04 -0.87 -4.85 117.35 120.75 1m4p s TYR 42 Ca -0.11 0.65 -0.25 0.00 -2.44 0.00 0.00 57.07 54.92 1m4p s TYR 42 Cb -0.14 0.10 -0.09 0.00 0.35 0.00 0.00 41.96 42.18 1m4p s TYR 42 CO 0.02 -0.20 1.01 0.14 -1.34 0.00 0.00 175.55 175.18 1m4p s VAL 43 N -0.16 3.93 0.26 3.14 -7.23 -1.26 0.97 120.40 120.04 1m4p s VAL 43 Ca -0.03 1.56 0.00 0.00 -1.81 0.00 0.00 61.98 61.71 1m4p s VAL 43 Cb -0.03 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.06 1m4p s VAL 43 CO 0.01 0.10 0.00 0.49 -0.31 0.00 0.00 175.10 175.39 1m4p n PHE 44 N 0.32 -2.68 -1.55 2.82 3.72 -0.86 -4.67 117.46 114.57 1m4p n PHE 44 Ca 0.03 0.64 -0.33 0.00 -0.05 0.00 0.00 57.45 57.74 1m4p n PHE 44 Cb 0.49 1.47 -0.05 0.00 -0.94 0.00 0.00 39.48 40.45 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 -3.21 2.02 -1.96 4.37 3.02 -1.25 -1.99 115.26 116.26 1m4p n ASN 45 Ca 0.00 -0.61 -0.07 0.00 -0.03 0.00 0.00 54.58 53.87 1m4p n ASN 45 Cb 0.00 -1.53 -0.02 0.00 -0.61 0.00 0.00 39.78 37.62 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 15.81 -2.43 -0.85 6.41 -0.08 -1.26 -0.84 116.55 133.31 1m4p n ASP 46 Ca 0.41 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.96 1m4p n ASP 46 Cb 0.48 -2.25 0.00 0.00 2.34 0.00 0.00 41.12 41.69 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1m4p n GLY 47 N -0.46 0.71 2.94 0.27 0.00 -0.84 -5.08 105.19 102.73 1m4p n GLY 47 Ca -0.08 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.52 3.31 0.28 1.61 0.15 -0.02 -4.73 113.70 111.77 1m4p s SER 48 Ca 0.00 -0.88 -0.21 0.00 0.70 0.00 0.00 55.95 55.56 1m4p s SER 48 Cb 0.00 -1.10 -0.14 0.00 -1.71 0.00 0.00 66.02 63.06 1m4p s SER 48 CO 0.00 -0.18 0.23 -1.20 1.20 0.00 0.00 173.24 173.29 1m4p n SER 49 N 4.75 -1.94 -3.95 5.45 7.64 -1.26 -2.02 113.62 122.29 1m4p n SER 49 Ca -0.13 0.83 -0.17 0.00 1.01 0.00 0.00 58.87 60.40 1m4p n SER 49 Cb 0.46 -0.80 -0.15 0.00 -1.01 0.00 0.00 64.21 62.72 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1m4p s ARG 50 N -0.88 0.58 -0.24 1.43 3.52 0.27 -4.78 118.95 118.85 1m4p s ARG 50 Ca 0.54 -0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.66 1m4p s ARG 50 Cb -0.66 -0.57 0.01 0.00 -1.56 0.00 0.00 34.95 32.16 1m4p s ARG 50 CO 0.53 0.08 1.03 -1.21 -0.81 0.00 0.00 175.30 174.92 1m4p s GLU 51 N 0.14 4.23 -0.06 5.12 2.02 -1.26 -2.04 118.70 126.85 1m4p s GLU 51 Ca -0.01 1.31 -0.03 0.00 0.02 0.00 0.00 54.97 56.26 1m4p s GLU 51 Cb -0.06 -3.65 0.04 0.00 0.10 0.00 0.00 34.13 30.56 1m4p s GLU 51 CO -0.00 -0.66 0.12 -1.17 0.02 0.00 0.00 175.26 173.58 1m4p s LEU 52 N 3.23 0.37 -0.07 1.80 0.20 0.60 -5.03 118.68 119.79 1m4p s LEU 52 Ca 0.44 0.25 -0.12 0.00 0.69 0.00 0.00 54.13 55.39 1m4p s LEU 52 Cb -0.15 0.20 -0.05 0.00 -0.43 0.00 0.00 46.19 45.76 1m4p s LEU 52 CO 0.07 -0.20 0.29 0.00 -0.29 0.00 0.00 176.35 176.23 1m4p s MET 53 N 1.74 3.79 0.34 1.98 0.23 -1.26 0.15 119.30 126.27 1m4p s MET 53 Ca -0.02 0.17 0.03 0.00 -1.03 0.00 0.00 55.69 54.84 1m4p s MET 53 Cb -0.12 -3.24 -0.05 0.00 -1.53 0.00 0.00 34.83 29.89 1m4p s MET 53 CO -0.05 0.66 0.08 0.54 -2.03 0.00 0.00 175.02 174.22 1m4p s ASN 54 N -0.84 2.31 0.05 -1.18 4.22 0.77 -1.56 114.94 118.71 1m4p s ASN 54 Ca 0.19 -1.44 0.05 0.00 -2.14 0.00 0.00 52.86 49.53 1m4p s ASN 54 Cb -0.14 0.08 -0.02 0.00 1.28 0.00 0.00 41.25 42.44 1m4p s ASN 54 CO 0.09 -0.70 -0.16 -0.76 -2.04 0.00 0.00 177.10 173.53 1m4p s LEU 55 N -3.49 2.19 -0.28 3.54 1.43 -0.84 -0.83 118.68 120.39 1m4p s LEU 55 Ca 0.34 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 1m4p s LEU 55 Cb 0.07 -0.67 0.09 0.00 0.03 0.00 0.00 46.19 45.72 1m4p s LEU 55 CO 0.15 0.04 0.77 0.28 0.23 0.00 0.00 176.35 177.82 1m4p s THR 56 N -0.91 0.00 -0.03 5.49 -1.32 -0.94 -2.18 115.64 115.76 1m4p s THR 56 Ca 0.02 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.41 1m4p s THR 56 Cb -0.08 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1m4p s THR 56 CO 0.02 0.00 0.41 0.61 -2.21 0.00 0.00 174.62 173.45 1m4p n GLY 57 N 3.91 0.33 3.32 6.08 0.00 -1.09 -1.72 105.19 116.01 1m4p n GLY 57 Ca -0.19 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.02 4.28 0.19 2.61 -4.23 -1.24 -0.30 115.64 114.93 1m4p s THR 58 Ca 0.10 -1.11 -0.15 0.00 -1.18 0.00 0.00 61.69 59.35 1m4p s THR 58 Cb -0.00 -3.48 -0.08 0.00 1.34 0.00 0.00 72.50 70.29 1m4p s THR 58 CO -0.01 -0.32 0.62 -0.51 -0.54 0.00 0.00 174.62 173.86 1m4p s ILE 59 N 1.48 4.77 -0.31 2.99 2.07 0.12 -4.71 121.20 127.60 1m4p s ILE 59 Ca 0.01 0.93 -0.29 0.00 -1.41 0.00 0.00 60.65 59.90 1m4p s ILE 59 Cb -0.21 -3.75 -0.00 0.00 0.13 0.00 0.00 42.46 38.64 1m4p s ILE 59 CO 0.04 0.16 1.35 -2.16 -1.91 0.00 0.00 174.94 172.42 1m4p s PRO 60 N -2.15 3.85 -0.33 3.50 0.04 -1.26 -0.60 135.00 138.05 1m4p s PRO 60 Ca 0.42 1.25 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 1m4p s PRO 60 Cb -0.15 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.51 1m4p s PRO 60 CO 0.20 -1.20 0.11 0.08 0.04 0.00 0.00 177.00 176.22 1m4p s VAL 61 N 4.61 3.92 0.14 -0.36 1.01 -0.07 -4.90 120.40 124.76 1m4p s VAL 61 Ca 0.59 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1m4p s VAL 61 Cb -0.17 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.97 1m4p s VAL 61 CO 0.25 -0.12 1.13 -2.16 0.00 0.00 0.00 175.10 174.20 1m4p s PRO 62 N 1.44 4.54 0.05 2.72 0.04 -1.26 -0.21 135.00 142.32 1m4p s PRO 62 Ca -0.00 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1m4p s PRO 62 Cb -0.19 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 1m4p s PRO 62 CO 0.03 -0.03 0.01 0.98 0.04 0.00 0.00 177.00 178.03 1m4p n TYR 63 N 2.82 0.04 -1.13 0.56 9.36 0.15 -4.76 117.16 124.19 1m4p n TYR 63 Ca 0.05 -0.28 -0.16 0.00 3.32 0.00 0.00 57.90 60.82 1m4p n TYR 63 Cb 0.46 -0.01 -0.11 0.00 -0.63 0.00 0.00 39.34 39.05 1m4p n TYR 63 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1m4p n ARG 64 N -0.11 2.07 0.00 2.98 0.00 -1.26 -3.50 116.66 116.84 1m4p n ARG 64 Ca -0.01 -1.41 0.00 0.00 -0.00 0.00 0.00 57.85 56.43 1m4p n ARG 64 Cb 0.07 -1.98 0.00 0.00 0.00 0.00 0.00 32.46 30.55 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m4p n GLY 65 N 1.82 0.11 0.00 5.14 0.00 -1.26 -5.16 105.19 105.83 1m4p n GLY 65 Ca 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1m4p n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4p n ASN 66 N -0.78 0.00 -4.38 1.61 6.94 -1.23 -5.12 115.26 112.30 1m4p n ASN 66 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.15 1m4p n ASN 66 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1m4p s THR 67 N -2.48 4.71 0.00 5.53 2.01 -1.26 0.30 115.64 124.45 1m4p s THR 67 Ca 0.00 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1m4p s THR 67 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1m4p s THR 67 CO 0.00 -0.30 0.00 -1.22 -0.69 0.00 0.00 174.62 172.41 1m4p n TYR 68 N 5.03 -2.64 -3.85 4.92 4.02 0.71 -4.74 117.16 120.61 1m4p n TYR 68 Ca -0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.51 1m4p n TYR 68 Cb 0.46 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.61 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 2.40 -0.07 7.72 0.01 -1.26 -0.89 114.94 121.85 1m4p s ASN 69 Ca 0.00 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 1m4p s ASN 69 Cb 0.00 -0.76 -0.03 0.00 0.41 0.00 0.00 41.25 40.88 1m4p s ASN 69 CO 0.00 -0.18 -0.11 -0.51 -1.51 0.00 0.00 177.10 174.79 1m4p s ILE 70 N 1.75 3.37 0.49 0.60 1.10 0.23 -4.86 121.20 123.88 1m4p s ILE 70 Ca 0.03 -0.60 -0.20 0.00 -0.51 0.00 0.00 60.65 59.37 1m4p s ILE 70 Cb -0.14 -2.36 -0.08 0.00 0.15 0.00 0.00 42.46 40.02 1m4p s ILE 70 CO -0.07 0.59 1.04 -2.16 -2.11 0.00 0.00 174.94 172.22 1m4p s PRO 71 N -0.65 3.80 0.03 3.50 0.04 -1.26 0.14 135.00 140.61 1m4p s PRO 71 Ca 0.10 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1m4p s PRO 71 Cb -0.11 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1m4p s PRO 71 CO 0.01 -0.43 -0.05 0.42 0.04 0.00 0.00 177.00 176.99 1m4p s ILE 72 N -2.00 0.32 -0.26 0.56 -1.09 0.59 -4.30 121.20 115.02 1m4p s ILE 72 Ca 0.67 -1.07 -0.04 0.00 -2.23 0.00 0.00 60.65 57.98 1m4p s ILE 72 Cb -0.16 -0.53 0.14 0.00 -1.58 0.00 0.00 42.46 40.33 1m4p s ILE 72 CO 0.20 -0.50 0.49 0.00 -1.23 0.00 0.00 174.94 173.91 1m4p s LEU 74 N 2.71 2.16 -0.02 0.00 2.34 -0.93 -1.84 118.68 123.10 1m4p s LEU 74 Ca 0.10 -0.97 0.00 0.00 0.06 0.00 0.00 54.13 53.33 1m4p s LEU 74 Cb -0.14 0.39 -0.04 0.00 -0.56 0.00 0.00 46.19 45.84 1m4p s LEU 74 CO -0.17 -0.65 0.03 0.26 -1.06 0.00 0.00 176.35 174.76 1m4p s TRP 75 N -3.93 3.16 -0.23 3.48 0.52 -1.08 -1.99 118.94 118.87 1m4p s TRP 75 Ca 0.09 0.14 -0.01 0.00 0.02 0.00 0.00 56.10 56.35 1m4p s TRP 75 Cb 0.07 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.70 1m4p s TRP 75 CO -0.08 0.50 -0.10 -1.17 0.02 0.00 0.00 176.95 176.12 1m4p s LEU 76 N -1.51 2.88 0.00 2.99 2.96 -0.60 -4.65 118.68 120.74 1m4p s LEU 76 Ca 0.20 -0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 53.26 1m4p s LEU 76 Cb -0.12 -1.62 0.14 0.00 0.50 0.00 0.00 46.19 45.09 1m4p s LEU 76 CO 0.10 -0.08 0.83 0.18 -1.32 0.00 0.00 176.35 176.06 1m4p n LEU 77 N 4.66 0.00 0.15 -0.68 4.32 -1.26 -4.03 117.00 120.16 1m4p n LEU 77 Ca -0.18 -1.06 -0.07 0.00 -0.02 0.00 0.00 56.01 54.68 1m4p n LEU 77 Cb 0.48 -0.61 -0.03 0.00 -1.62 0.00 0.00 43.42 41.64 1m4p n LEU 77 CO 0.27 -1.05 0.22 0.44 -1.22 0.00 0.00 177.39 176.05 1m4p h ASP 78 N -0.97 -0.37 0.00 -1.43 3.32 -1.97 -3.46 116.42 111.53 1m4p h ASP 78 Ca -0.27 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1m4p h ASP 78 Cb 0.79 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1m4p h ASP 78 CO 0.21 -0.05 -0.04 1.07 -1.72 0.00 0.00 179.24 178.72 1m4p n THR 79 N -4.39 0.00 -3.77 0.35 5.66 -1.26 -4.46 114.28 106.41 1m4p n THR 79 Ca -0.05 -0.08 -0.13 0.00 -3.05 0.00 0.00 64.05 60.73 1m4p n THR 79 Cb 0.17 0.38 -0.09 0.00 -1.55 0.00 0.00 70.33 69.24 1m4p n THR 79 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1m4p s TYR 80 N 0.01 -0.18 -0.07 1.09 1.13 -1.26 -4.61 117.35 113.46 1m4p s TYR 80 Ca 0.01 0.29 -0.20 0.00 -1.41 0.00 0.00 57.07 55.76 1m4p s TYR 80 Cb 0.04 0.09 -0.16 0.00 -1.10 0.00 0.00 41.96 40.83 1m4p s TYR 80 CO -0.01 -0.36 0.75 -1.00 -2.51 0.00 0.00 175.55 172.41 1m4p h PRO 81 N 4.05 -0.14 0.00 -3.49 0.13 -2.01 -3.42 132.00 127.13 1m4p h PRO 81 Ca -0.29 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1m4p h PRO 81 Cb 1.18 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1m4p h PRO 81 CO 0.39 0.35 -1.15 2.48 -0.23 0.00 0.00 178.00 179.84 1m4p n TYR 82 N -4.84 0.00 -3.82 1.56 4.11 -1.26 -5.11 117.16 107.80 1m4p n TYR 82 Ca -0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.90 57.79 1m4p n TYR 82 Cb 0.27 -0.11 0.00 0.00 -0.00 0.00 0.00 39.34 39.51 1m4p n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1m4p s ASN 83 N -3.55 -0.08 -0.34 9.48 -0.87 -1.26 -5.01 114.94 113.30 1m4p s ASN 83 Ca -0.02 -0.61 -0.29 0.00 -1.57 0.00 0.00 52.86 50.37 1m4p s ASN 83 Cb 0.01 0.54 0.00 0.00 -0.02 0.00 0.00 41.25 41.78 1m4p s ASN 83 CO 0.08 -1.04 1.37 -2.16 -2.57 0.00 0.00 177.10 172.78 1m4p s PRO 84 N -2.72 3.76 -0.02 -0.60 0.04 -1.26 -4.84 135.00 129.36 1m4p s PRO 84 Ca 0.17 1.14 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1m4p s PRO 84 Cb -0.02 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.54 1m4p s PRO 84 CO 0.05 -1.33 0.30 -1.00 0.04 0.00 0.00 177.00 175.06 1m4p h PRO 85 N 10.01 -0.12 -3.47 0.56 0.13 -1.92 -3.45 132.00 133.75 1m4p h PRO 85 Ca -0.27 0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.44 1m4p h PRO 85 Cb 1.10 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1m4p h PRO 85 CO 1.05 -0.08 0.84 -0.89 -0.23 0.00 0.00 178.00 178.70 1m4p n ILE 86 N -3.04 0.00 -3.81 -3.56 5.41 -1.26 -4.86 119.36 108.24 1m4p n ILE 86 Ca -0.01 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 1m4p n ILE 86 Cb 0.05 -0.30 -0.15 0.00 -0.71 0.00 0.00 39.64 38.53 1m4p n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m4p s PHE 88 N 0.58 -0.00 0.08 0.00 -0.71 -0.77 -2.59 117.98 114.57 1m4p s PHE 88 Ca -0.05 -0.21 0.07 0.00 -1.04 0.00 0.00 56.93 55.70 1m4p s PHE 88 Cb -0.07 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 1m4p s PHE 88 CO -0.02 -0.53 -0.19 0.54 -1.34 0.00 0.00 175.22 173.68 1m4p s VAL 89 N -2.36 1.56 -0.65 -2.49 0.11 -0.40 -1.23 120.40 114.94 1m4p s VAL 89 Ca 0.20 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 57.88 1m4p s VAL 89 Cb 0.00 -1.41 0.16 0.00 -1.53 0.00 0.00 36.38 33.60 1m4p s VAL 89 CO 0.00 -0.02 0.44 -1.59 -3.33 0.00 0.00 175.10 170.61 1m4p s LYS 90 N -1.65 2.46 0.65 1.54 0.00 -1.26 -4.34 119.74 117.13 1m4p s LYS 90 Ca 0.05 -2.87 -0.13 0.00 0.00 0.00 0.00 55.97 53.03 1m4p s LYS 90 Cb -0.10 -3.56 -0.01 0.00 0.00 0.00 0.00 37.83 34.16 1m4p s LYS 90 CO 0.03 -1.19 1.06 -1.25 0.00 0.00 0.00 175.35 173.99 1m4p s PRO 91 N -0.66 3.12 1.05 1.78 0.04 -1.26 -4.76 135.00 134.31 1m4p s PRO 91 Ca 0.20 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 1m4p s PRO 91 Cb -0.17 -2.01 0.22 0.00 0.04 0.00 0.00 34.50 32.58 1m4p s PRO 91 CO -0.07 -0.96 1.20 0.95 0.04 0.00 0.00 177.00 178.17 1m4p s THR 92 N -2.83 1.84 0.09 1.26 -4.23 -1.26 -4.97 115.64 105.54 1m4p s THR 92 Ca 0.60 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1m4p s THR 92 Cb -0.14 -2.75 -0.27 0.00 1.34 0.00 0.00 72.50 70.68 1m4p s THR 92 CO 0.48 0.00 1.17 0.28 -0.54 0.00 0.00 174.62 176.01 1m4p h SER 93 N -2.00 0.35 0.79 3.99 0.02 -1.97 -3.10 113.55 111.64 1m4p h SER 93 Ca -0.46 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 1m4p h SER 93 Cb 1.28 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1m4p h SER 93 CO 0.41 1.28 0.00 -0.24 -1.14 0.00 0.00 176.83 177.14 1m4p n SER 94 N -3.51 0.09 -2.01 3.07 2.88 -1.26 -4.78 113.62 108.09 1m4p n SER 94 Ca -0.07 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1m4p n SER 94 Cb 1.00 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 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 -1.59 0.11 0.00 -1.46 2.00 -1.17 -4.52 117.12 110.49 1m4p n MET 95 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1m4p n MET 95 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.48 1m4p n MET 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1m4p n THR 96 N -1.88 0.00 0.00 2.03 -1.04 -1.25 -4.92 114.28 107.23 1m4p n THR 96 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1m4p n THR 96 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1m4p n THR 96 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1m4p n ILE 97 N 0.00 0.00 -4.38 12.58 2.08 -1.26 -4.90 119.36 123.47 1m4p n ILE 97 Ca 0.00 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 62.98 1m4p n ILE 97 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 38.73 1m4p n ILE 97 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1m4p s LYS 98 N -0.10 2.99 -0.07 0.38 0.00 -1.26 -5.03 119.74 116.66 1m4p s LYS 98 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 55.97 55.02 1m4p s LYS 98 Cb 0.00 -2.50 -0.05 0.00 0.00 0.00 0.00 37.83 35.28 1m4p s LYS 98 CO 0.00 -0.12 0.28 0.95 0.00 0.00 0.00 175.35 176.46 1m4p s THR 99 N 1.06 5.27 -0.45 3.79 -4.23 -1.26 -4.33 115.64 115.49 1m4p s THR 99 Ca -0.01 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1m4p s THR 99 Cb -0.14 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1m4p s THR 99 CO -0.08 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 1m4p n GLY 100 N 2.09 -0.87 2.42 3.99 0.00 -1.00 -4.94 105.19 106.87 1m4p n GLY 100 Ca -0.16 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1m4p n GLY 100 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m4p n LYS 101 N 0.00 2.42 0.01 1.61 2.85 -1.26 -3.84 118.16 119.94 1m4p n LYS 101 Ca 0.00 -2.18 0.00 0.00 -1.05 0.00 0.00 58.31 55.08 1m4p n LYS 101 Cb 0.00 -2.14 0.00 0.00 -0.65 0.00 0.00 35.03 32.24 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1m4p n HIS 102 N 1.16 -2.38 -4.51 5.58 8.25 -1.25 -4.88 115.22 117.19 1m4p n HIS 102 Ca 0.49 0.08 -0.26 0.00 -0.26 0.00 0.00 57.72 57.76 1m4p n HIS 102 Cb 0.60 0.62 -0.10 0.00 1.12 0.00 0.00 29.99 32.22 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 -2.00 2.21 -0.16 1.59 1.01 -1.25 -2.35 120.40 119.45 1m4p s VAL 103 Ca 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 61.98 59.80 1m4p s VAL 103 Cb 0.00 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 1m4p s VAL 103 CO 0.00 -0.11 -0.27 -0.67 0.00 0.00 0.00 175.10 174.05 1m4p n ASP 104 N -0.92 1.63 0.00 3.32 -0.08 -0.87 -2.36 116.55 117.26 1m4p n ASP 104 Ca -0.05 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1m4p n ASP 104 Cb 0.65 -0.64 0.00 0.00 2.34 0.00 0.00 41.12 43.47 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 -4.11 0.00 1.34 -1.67 0.00 -1.26 -4.61 120.51 110.19 1m4p n ALA 105 Ca -0.25 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.33 1m4p n ALA 105 Cb 0.57 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.41 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 1.81 0.00 0.00 3.02 -1.26 -4.89 115.26 113.94 1m4p n ASN 106 Ca 0.00 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 1m4p n ASN 106 Cb 0.00 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m4p n GLY 107 N 1.24 0.26 3.71 7.41 0.00 -1.26 -4.69 105.19 111.87 1m4p n GLY 107 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.97 4.31 0.18 1.61 -2.85 -1.26 -1.27 119.74 119.49 1m4p s LYS 108 Ca 0.00 2.08 -0.30 0.00 -1.00 0.00 0.00 55.97 56.75 1m4p s LYS 108 Cb 0.00 -3.28 -0.09 0.00 -2.06 0.00 0.00 37.83 32.40 1m4p s LYS 108 CO 0.00 -0.46 1.36 0.42 0.10 0.00 0.00 175.35 176.77 1m4p s ILE 109 N 1.26 3.13 -0.28 3.79 1.01 -1.07 -2.06 121.20 126.99 1m4p s ILE 109 Ca 0.65 0.89 -0.02 0.00 0.00 0.00 0.00 60.65 62.17 1m4p s ILE 109 Cb -0.37 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 38.66 1m4p s ILE 109 CO 0.30 0.11 0.26 -0.47 0.00 0.00 0.00 174.94 175.14 1m4p s TYR 110 N 0.45 -0.32 -0.04 3.97 5.04 -0.99 -4.92 117.35 120.53 1m4p s TYR 110 Ca 0.60 -0.20 -0.31 0.00 -2.44 0.00 0.00 57.07 54.72 1m4p s TYR 110 Cb -0.38 -0.50 0.12 0.00 0.35 0.00 0.00 41.96 41.55 1m4p s TYR 110 CO 0.36 -0.86 1.34 -0.48 -1.34 0.00 0.00 175.55 174.57 1m4p s LEU 111 N 2.32 -0.02 -1.16 6.97 2.34 -1.26 -3.80 118.68 124.07 1m4p s LEU 111 Ca 0.09 -0.11 -0.21 0.00 0.06 0.00 0.00 54.13 53.96 1m4p s LEU 111 Cb -0.14 1.24 -0.00 0.00 -0.56 0.00 0.00 46.19 46.72 1m4p s LEU 111 CO -0.30 -0.20 1.79 -2.16 -1.06 0.00 0.00 176.35 174.42 1m4p s PRO 112 N -2.18 3.21 0.00 1.48 0.04 -1.26 -4.32 135.00 131.97 1m4p s PRO 112 Ca 0.20 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.91 1m4p s PRO 112 Cb 0.04 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.24 1m4p s PRO 112 CO -0.04 -3.00 0.00 0.98 0.04 0.00 0.00 177.00 174.99 1m4p n TYR 113 N 11.30 0.00 0.01 0.56 9.36 -1.26 -4.58 117.16 132.56 1m4p n TYR 113 Ca 0.44 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.48 1m4p n TYR 113 Cb 0.47 0.04 -0.11 0.00 -0.63 0.00 0.00 39.34 39.12 1m4p n TYR 113 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1m4p h LEU 114 N 0.00 0.66 -3.82 2.98 8.10 -1.99 -3.19 115.31 118.06 1m4p h LEU 114 Ca 0.00 -0.74 -0.55 0.00 0.11 0.00 0.00 57.88 56.69 1m4p h LEU 114 Cb 0.67 -0.20 -0.24 0.00 -0.44 0.00 0.00 40.66 40.44 1m4p h LEU 114 CO 0.00 1.31 0.72 1.57 -4.11 0.00 0.00 178.44 177.93 1m4p n HIS 115 N -4.11 2.69 0.00 0.17 -0.00 -1.26 -4.19 115.22 108.52 1m4p n HIS 115 Ca -0.10 -2.60 0.00 0.00 0.46 0.00 0.00 57.72 55.48 1m4p n HIS 115 Cb 0.73 -1.26 0.00 0.00 -0.12 0.00 0.00 29.99 29.34 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 -0.55 0.00 0.00 1.57 2.13 -1.21 -4.99 120.64 117.58 1m4p n GLU 116 Ca 0.52 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1m4p n GLU 116 Cb 0.72 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.43 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 -1.64 0.00 -4.11 4.31 -0.00 -1.21 -4.78 117.44 110.01 1m4p n TRP 117 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.16 1m4p n TRP 117 Cb 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 31.31 31.20 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 -0.60 -0.81 -0.21 5.87 4.81 -1.26 -4.74 118.16 121.22 1m4p n LYS 118 Ca 0.00 0.11 0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1m4p n LYS 118 Cb 0.00 -3.77 0.12 0.00 0.02 0.00 0.00 35.03 31.40 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 -0.95 0.40 -0.00 5.64 2.76 -1.95 -3.45 115.15 117.59 1m4p h HIS 119 Ca -0.53 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.66 1m4p h HIS 119 Cb 1.20 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1m4p h HIS 119 CO 0.56 0.09 -0.03 -1.00 -1.30 0.00 0.00 177.93 176.25 1m4p h PRO 120 N 0.40 0.02 0.00 5.26 0.13 -1.96 -3.50 132.00 132.35 1m4p h PRO 120 Ca 0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1m4p h PRO 120 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1m4p h PRO 120 CO -0.33 0.76 0.00 0.94 -0.23 0.00 0.00 178.00 179.15 1m4p n GLN 121 N -4.71 0.00 -1.40 0.86 -0.06 -1.26 -4.83 117.38 105.98 1m4p n GLN 121 Ca -0.09 0.00 -0.48 0.00 -2.00 0.00 0.00 57.00 54.43 1m4p n GLN 121 Cb 0.38 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.53 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 0.71 -1.19 -4.35 1.69 2.88 -1.26 -4.97 113.62 107.13 1m4p n SER 122 Ca 0.00 1.12 -0.28 0.00 -1.33 0.00 0.00 58.87 58.38 1m4p n SER 122 Cb 0.00 -0.94 -0.08 0.00 -0.75 0.00 0.00 64.21 62.44 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 -0.95 3.28 0.18 -3.46 -4.77 -1.26 -4.92 116.67 104.76 1m4p s ASP 123 Ca 0.65 -1.66 -0.24 0.00 -3.30 0.00 0.00 52.55 48.00 1m4p s ASP 123 Cb -0.94 0.49 0.07 0.00 -1.09 0.00 0.00 42.92 41.45 1m4p s ASP 123 CO 0.56 -0.89 1.57 0.25 0.70 0.00 0.00 175.17 177.36 1m4p h LEU 124 N 1.64 -1.40 -0.26 2.11 5.85 -1.95 1.55 115.31 122.85 1m4p h LEU 124 Ca -0.39 0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1m4p h LEU 124 Cb 1.29 0.66 -0.06 0.00 0.37 0.00 0.00 40.66 42.91 1m4p h LEU 124 CO 0.63 -0.32 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.88 1m4p h LEU 125 N -0.19 -1.52 -0.78 2.25 -0.00 -1.96 -0.14 115.31 112.97 1m4p h LEU 125 Ca 0.20 0.19 0.08 0.00 -0.00 0.00 0.00 57.88 58.35 1m4p h LEU 125 Cb 0.56 0.61 -0.06 0.00 -0.00 0.00 0.00 40.66 41.77 1m4p h LEU 125 CO -0.71 -0.36 0.45 1.23 -0.00 0.00 0.00 178.44 179.05 1m4p h GLY 126 N -0.39 1.18 -0.74 0.83 0.00 -1.50 0.55 103.07 103.00 1m4p h GLY 126 Ca 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.14 1m4p h GLY 126 CO -0.45 0.17 -0.51 -2.00 0.00 0.00 0.00 176.54 173.75 1m4p h LEU 127 N 0.80 -1.83 -0.93 3.11 6.46 0.40 1.61 115.31 124.92 1m4p h LEU 127 Ca 0.36 0.27 -0.09 0.00 -0.12 0.00 0.00 57.88 58.30 1m4p h LEU 127 Cb 0.26 0.79 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1m4p h LEU 127 CO -0.21 -0.24 -0.21 0.40 -0.62 0.00 0.00 178.44 177.57 1m4p h ILE 128 N -0.09 1.26 -0.63 4.05 5.03 -0.98 -2.20 117.51 123.96 1m4p h ILE 128 Ca 0.12 -1.21 0.06 0.00 -0.12 0.00 0.00 64.86 63.71 1m4p h ILE 128 Cb 0.40 1.26 -0.06 0.00 -3.03 0.00 0.00 36.82 35.39 1m4p h ILE 128 CO -0.75 0.39 0.32 -0.61 -0.68 0.00 0.00 178.15 176.83 1m4p h GLN 129 N 0.49 0.58 -0.53 2.37 4.15 0.24 1.46 115.11 123.87 1m4p h GLN 129 Ca 0.08 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.35 1m4p h GLN 129 Cb 0.63 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1m4p h GLN 129 CO 0.04 0.38 -0.12 0.28 -1.93 0.00 0.00 178.83 177.48 1m4p h VAL 130 N 0.59 1.27 -0.40 2.39 2.07 0.23 -1.93 116.25 120.47 1m4p h VAL 130 Ca 0.29 -1.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 1m4p h VAL 130 Cb 0.22 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1m4p h VAL 130 CO -0.20 0.45 -0.24 -0.03 0.02 0.00 0.00 177.57 177.56 1m4p h MET 131 N 0.89 0.87 -0.16 1.57 1.85 -0.60 0.24 114.93 119.59 1m4p h MET 131 Ca 0.14 -0.40 -0.01 0.00 -0.61 0.00 0.00 59.70 58.81 1m4p h MET 131 Cb 0.68 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1m4p h MET 131 CO 0.05 1.05 0.03 0.82 -0.40 0.00 0.00 176.91 178.46 1m4p h ILE 132 N 0.69 1.09 0.00 1.77 2.04 0.21 0.73 117.51 124.04 1m4p h ILE 132 Ca 0.08 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1m4p h ILE 132 Cb 0.81 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1m4p h ILE 132 CO 0.07 0.11 -0.00 0.58 0.00 0.00 0.00 178.15 178.90 1m4p h VAL 133 N 0.22 1.69 -0.09 1.67 2.07 -1.04 -1.92 116.25 118.85 1m4p h VAL 133 Ca 0.06 -2.25 0.03 0.00 0.82 0.00 0.00 66.70 65.35 1m4p h VAL 133 Cb 0.10 3.19 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 1m4p h VAL 133 CO -0.00 0.57 -0.09 0.58 0.02 0.00 0.00 177.57 178.65 1m4p h VAL 134 N -0.99 0.75 -0.27 2.57 2.07 -0.19 0.12 116.25 120.31 1m4p h VAL 134 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1m4p h VAL 134 Cb 0.94 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1m4p h VAL 134 CO 0.00 0.00 0.06 0.49 0.02 0.00 0.00 177.57 178.14 1m4p n PHE 135 N -5.22 0.92 -0.01 1.57 3.01 0.25 -3.71 117.46 114.27 1m4p n PHE 135 Ca -0.04 -0.46 -0.02 0.00 1.01 0.00 0.00 57.45 57.95 1m4p n PHE 135 Cb 0.15 -0.32 -0.01 0.00 -0.01 0.00 0.00 39.48 39.28 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 0.16 -0.04 0.17 1.37 0.00 -0.09 -4.67 105.19 102.10 1m4p n GLY 136 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.35 -1.88 1.61 5.19 -0.94 -3.44 116.42 116.60 1m4p h ASP 137 Ca -0.05 0.01 -0.47 0.00 -0.62 0.00 0.00 57.03 55.90 1m4p h ASP 137 Cb 1.09 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1m4p h ASP 137 CO -0.01 -0.20 -0.41 -1.61 -3.12 0.00 0.00 179.24 173.89 1m4p s GLU 138 N -3.47 2.97 -0.33 3.56 2.02 -1.25 -5.02 118.70 117.17 1m4p s GLU 138 Ca -0.06 -1.11 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 1m4p s GLU 138 Cb 0.01 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1m4p s GLU 138 CO 0.18 0.13 1.37 -1.25 0.02 0.00 0.00 175.26 175.72 1m4p s PRO 139 N -4.06 3.78 0.31 0.39 0.04 -1.26 -4.66 135.00 129.55 1m4p s PRO 139 Ca 0.41 1.17 0.15 0.00 0.04 0.00 0.00 61.00 62.78 1m4p s PRO 139 Cb -0.08 -3.95 0.39 0.00 0.04 0.00 0.00 34.50 30.91 1m4p s PRO 139 CO 0.29 -1.30 1.60 -1.00 0.04 0.00 0.00 177.00 176.63 1m4p h PRO 140 N 9.92 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.31 1m4p h PRO 140 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 1m4p h PRO 140 Cb 1.11 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.51 -0.11 1.55 -0.23 0.00 0.00 178.00 180.77 1m4p n VAL 141 N -3.48 0.00 -1.83 1.56 3.14 -1.26 -4.08 118.33 112.38 1m4p n VAL 141 Ca 0.00 -0.92 -0.42 0.00 -2.96 0.00 0.00 64.34 60.05 1m4p n VAL 141 Cb 0.63 1.21 -0.02 0.00 -1.06 0.00 0.00 33.84 34.59 1m4p n VAL 141 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1m4p s PHE 142 N 0.17 2.91 0.61 1.45 -0.12 -1.26 -4.40 117.98 117.34 1m4p s PHE 142 Ca 0.23 0.64 -0.02 0.00 -0.05 0.00 0.00 56.93 57.73 1m4p s PHE 142 Cb 0.27 -4.03 0.04 0.00 -0.63 0.00 0.00 43.02 38.67 1m4p s PHE 142 CO -0.15 -3.66 0.87 0.45 -0.05 0.00 0.00 175.22 172.68 1m4p s SER 143 N 0.84 5.12 -0.17 1.98 0.15 -1.26 -3.79 113.70 116.57 1m4p s SER 143 Ca 0.68 0.22 -0.17 0.00 0.70 0.00 0.00 55.95 57.38 1m4p s SER 143 Cb -0.47 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1m4p s SER 143 CO 0.39 -1.31 0.42 -0.60 1.20 0.00 0.00 173.24 173.33 1m4p s ARG 144 N -4.96 4.24 0.00 5.44 3.52 -1.26 -4.97 118.95 120.96 1m4p s ARG 144 Ca 0.58 0.28 0.24 0.00 -0.13 0.00 0.00 55.73 56.70 1m4p s ARG 144 Cb -0.10 -3.49 1.43 0.00 -1.56 0.00 0.00 34.95 31.23 1m4p s ARG 144 CO 0.41 0.06 1.80 -0.35 -0.81 0.00 0.00 175.30 176.41