#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjp s GLU 2 N 0.00 3.54 0.01 0.00 1.03 -1.26 -5.09 118.70 116.92 1mjp s GLU 2 Ca 0.00 -0.18 0.02 0.00 0.03 0.00 0.00 54.97 54.83 1mjp s GLU 2 Cb 0.00 -3.04 -0.01 0.00 -0.80 0.00 0.00 34.13 30.28 1mjp s GLU 2 CO 0.00 0.62 -0.06 -0.46 -1.33 0.00 0.00 175.26 174.03 1mjp s TRP 3 N -1.39 0.50 0.42 4.83 -0.00 -1.26 -4.54 118.94 117.49 1mjp s TRP 3 Ca 0.31 -0.17 0.27 0.00 -0.00 0.00 0.00 56.10 56.51 1mjp s TRP 3 Cb -0.13 -0.31 1.45 0.00 -0.00 0.00 0.00 33.47 34.47 1mjp s TRP 3 CO 0.20 -0.02 2.07 0.66 -0.00 0.00 0.00 176.95 179.86 1mjp h SER 4 N 5.71 0.00 0.00 5.86 4.64 -2.00 -3.45 113.55 124.31 1mjp h SER 4 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1mjp h SER 4 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1mjp h SER 4 CO 0.48 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 1mjp n GLY 5 N -0.72 2.71 3.68 -0.77 0.00 -1.26 -4.98 105.19 103.85 1mjp n GLY 5 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1mjp n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjp s GLU 6 N -0.32 4.22 -0.15 1.61 2.02 -1.26 -4.58 118.70 120.24 1mjp s GLU 6 Ca 0.00 2.12 -0.05 0.00 0.02 0.00 0.00 54.97 57.05 1mjp s GLU 6 Cb 0.00 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 1mjp s GLU 6 CO 0.00 -0.73 0.04 -0.47 0.02 0.00 0.00 175.26 174.12 1mjp s TYR 7 N 3.17 3.22 0.10 1.61 6.14 -1.26 -4.94 117.35 125.39 1mjp s TYR 7 Ca 0.69 0.08 0.07 0.00 0.64 0.00 0.00 57.07 58.55 1mjp s TYR 7 Cb -0.33 -1.98 -0.04 0.00 0.42 0.00 0.00 41.96 40.03 1mjp s TYR 7 CO 0.28 0.25 -0.10 0.42 0.64 0.00 0.00 175.55 177.04 1mjp s ILE 8 N -0.05 3.35 -0.37 3.14 -1.09 -1.26 -4.80 121.20 120.12 1mjp s ILE 8 Ca 0.05 -1.26 -0.14 0.00 -2.23 0.00 0.00 60.65 57.07 1mjp s ILE 8 Cb -0.12 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1mjp s ILE 8 CO 0.01 0.13 0.27 -0.55 -1.23 0.00 0.00 174.94 173.57 1mjp s SER 9 N -2.16 6.09 0.49 3.58 0.15 -1.26 -4.92 113.70 115.67 1mjp s SER 9 Ca 0.21 -0.64 0.30 0.00 0.70 0.00 0.00 55.95 56.51 1mjp s SER 9 Cb -0.11 -2.15 1.61 0.00 -1.71 0.00 0.00 66.02 63.66 1mjp s SER 9 CO 0.13 -0.34 1.89 1.55 1.20 0.00 0.00 173.24 177.68 1mjp h PRO 10 N 8.56 0.00 -6.04 5.44 0.13 -1.96 -3.41 132.00 134.71 1mjp h PRO 10 Ca -0.29 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.19 1mjp h PRO 10 Cb 1.14 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.18 1mjp h PRO 10 CO 0.68 0.00 -0.57 0.71 -0.23 0.00 0.00 178.00 178.59 1mjp s TYR 11 N -3.80 3.29 0.63 1.56 2.02 -1.26 -4.86 117.35 114.92 1mjp s TYR 11 Ca -0.03 0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.81 1mjp s TYR 11 Cb 0.09 -1.70 0.05 0.00 -0.40 0.00 0.00 41.96 39.99 1mjp s TYR 11 CO 0.27 0.55 0.90 0.00 -1.57 0.00 0.00 175.55 175.70 1mjp s ALA 12 N -1.31 3.52 -0.25 3.71 0.00 -1.26 -5.04 121.76 121.14 1mjp s ALA 12 Ca 0.27 -1.12 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 1mjp s ALA 12 Cb -0.12 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1mjp s ALA 12 CO 0.19 -1.03 0.64 -1.21 0.00 0.00 0.00 175.76 174.35 1mjp s GLU 13 N -5.01 4.12 0.34 0.00 2.02 -1.26 -4.96 118.70 113.95 1mjp s GLU 13 Ca 0.59 0.57 -0.26 0.00 0.02 0.00 0.00 54.97 55.88 1mjp s GLU 13 Cb -0.11 -3.64 -0.13 0.00 0.10 0.00 0.00 34.13 30.35 1mjp s GLU 13 CO 0.42 -0.40 0.89 1.58 0.02 0.00 0.00 175.26 177.77 1mjp n HIS 14 N 5.66 0.80 0.00 1.61 -0.00 -1.26 -1.79 115.22 120.24 1mjp n HIS 14 Ca -0.00 0.67 0.00 0.00 -0.00 0.00 0.00 57.72 58.39 1mjp n HIS 14 Cb 0.49 -2.18 0.00 0.00 -0.00 0.00 0.00 29.99 28.30 1mjp n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1mjp n GLY 15 N 1.37 3.11 0.97 1.57 0.00 -1.26 -4.74 105.19 106.21 1mjp n GLY 15 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1mjp n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjp n LYS 16 N -0.76 0.87 -0.03 1.61 5.02 -0.74 -4.71 118.16 119.42 1mjp n LYS 16 Ca 0.00 -2.68 -0.15 0.00 -2.02 0.00 0.00 58.31 53.46 1mjp n LYS 16 Cb 0.00 -0.90 -0.09 0.00 -0.02 0.00 0.00 35.03 34.02 1mjp n LYS 16 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1mjp h LYS 17 N 0.96 0.39 -1.89 1.97 1.57 -1.83 -2.67 116.57 115.07 1mjp h LYS 17 Ca -0.10 -0.31 0.56 0.00 -1.87 0.00 0.00 60.65 58.93 1mjp h LYS 17 Cb 1.40 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.68 1mjp h LYS 17 CO 0.04 0.95 1.34 0.66 -0.57 0.00 0.00 179.45 181.88 1mjp h SER 18 N -0.08 0.03 0.00 0.86 4.64 -1.87 0.58 113.55 117.70 1mjp h SER 18 Ca -0.02 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1mjp h SER 18 Cb 1.02 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1mjp h SER 18 CO 0.08 -0.03 -0.57 -0.33 -0.87 0.00 0.00 176.83 175.10 1mjp h GLU 19 N 0.00 0.00 -0.59 4.77 5.08 -1.85 -3.41 114.58 118.58 1mjp h GLU 19 Ca 0.92 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.28 1mjp h GLU 19 Cb 3.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.88 1mjp h GLU 19 CO -0.07 0.59 0.00 1.04 -1.00 0.00 0.00 179.01 179.57 1mjp n GLN 20 N -4.58 2.96 -5.02 2.33 6.02 -0.80 -4.96 117.38 113.33 1mjp n GLN 20 Ca -0.16 -2.54 -0.31 0.00 -0.01 0.00 0.00 57.00 53.98 1mjp n GLN 20 Cb 0.42 -1.55 -0.15 0.00 1.02 0.00 0.00 30.24 29.98 1mjp n GLN 20 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1mjp s VAL 21 N -1.21 2.35 -0.08 5.09 1.01 0.13 -4.99 120.40 122.70 1mjp s VAL 21 Ca 0.42 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1mjp s VAL 21 Cb 0.23 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1mjp s VAL 21 CO 0.26 0.48 -0.22 -0.75 0.00 0.00 0.00 175.10 174.87 1mjp s LYS 22 N -0.95 2.78 0.32 2.72 2.47 -1.26 -4.80 119.74 121.01 1mjp s LYS 22 Ca 0.11 -0.84 -0.05 0.00 -1.56 0.00 0.00 55.97 53.63 1mjp s LYS 22 Cb -0.10 -2.29 -0.05 0.00 -1.46 0.00 0.00 37.83 33.93 1mjp s LYS 22 CO 0.01 0.34 0.60 0.15 0.16 0.00 0.00 175.35 176.62 1mjp s LYS 23 N -0.05 3.64 -0.25 4.03 1.02 -1.26 -5.11 119.74 121.77 1mjp s LYS 23 Ca -0.06 0.07 -0.21 0.00 0.02 0.00 0.00 55.97 55.79 1mjp s LYS 23 Cb -0.15 -2.59 0.07 0.00 -0.52 0.00 0.00 37.83 34.64 1mjp s LYS 23 CO 0.05 0.14 0.64 0.96 -0.92 0.00 0.00 175.35 176.22 1mjp s ILE 24 N -2.19 -0.00 -1.21 2.17 -4.36 -1.26 -5.10 121.20 109.26 1mjp s ILE 24 Ca 0.45 0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.70 1mjp s ILE 24 Cb -0.11 -0.90 0.16 0.00 1.25 0.00 0.00 42.46 42.86 1mjp s ILE 24 CO 0.31 0.00 1.46 -0.89 0.24 0.00 0.00 174.94 176.07 1mjp s THR 25 N 0.62 4.90 0.16 8.37 2.01 -1.26 -4.99 115.64 125.44 1mjp s THR 25 Ca -0.02 -2.50 -0.30 0.00 0.31 0.00 0.00 61.69 59.18 1mjp s THR 25 Cb -0.05 -4.94 -0.07 0.00 0.01 0.00 0.00 72.50 67.45 1mjp s THR 25 CO -0.03 -1.67 1.13 0.68 -0.69 0.00 0.00 174.62 174.04 1mjp s VAL 26 N 1.97 3.86 0.11 3.82 -7.23 -1.26 -5.01 120.40 116.66 1mjp s VAL 26 Ca 0.44 1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 61.98 1mjp s VAL 26 Cb -0.02 -3.98 -0.07 0.00 0.56 0.00 0.00 36.38 32.87 1mjp s VAL 26 CO 0.01 0.24 0.55 -0.44 -0.31 0.00 0.00 175.10 175.15 1mjp s SER 27 N 0.14 6.93 -0.11 4.85 0.01 -1.26 -5.08 113.70 119.18 1mjp s SER 27 Ca 0.51 1.15 -0.15 0.00 1.31 0.00 0.00 55.95 58.78 1mjp s SER 27 Cb -0.30 -2.32 0.04 0.00 0.21 0.00 0.00 66.02 63.65 1mjp s SER 27 CO 0.34 0.18 0.39 -0.51 0.41 0.00 0.00 173.24 174.06 1mjp s ILE 28 N -1.30 0.02 -0.04 1.44 2.07 -1.26 -5.15 121.20 116.98 1mjp s ILE 28 Ca 0.33 -0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.15 1mjp s ILE 28 Cb -0.17 -0.60 -0.05 0.00 0.13 0.00 0.00 42.46 41.78 1mjp s ILE 28 CO 0.19 -0.07 1.38 -2.84 -1.91 0.00 0.00 174.94 171.69 1mjp s PRO 29 N -0.26 4.27 0.12 3.50 0.02 -1.26 -4.86 135.00 136.54 1mjp s PRO 29 Ca -0.04 1.90 -0.24 0.00 0.02 0.00 0.00 61.00 62.64 1mjp s PRO 29 Cb -0.03 -3.64 -0.05 0.00 0.02 0.00 0.00 34.50 30.79 1mjp s PRO 29 CO 0.02 -0.60 1.28 1.28 -0.33 0.00 0.00 177.00 178.65 1mjp n LEU 30 N 5.71 -0.82 -0.33 -5.54 4.77 -1.26 0.52 117.00 120.06 1mjp n LEU 30 Ca 0.13 1.46 0.26 0.00 -0.03 0.00 0.00 56.01 57.84 1mjp n LEU 30 Cb 0.44 -0.22 0.50 0.00 -2.33 0.00 0.00 43.42 41.81 1mjp n LEU 30 CO 0.58 -1.16 1.03 0.50 -1.33 0.00 0.00 177.39 177.01 1mjp h LYS 31 N 0.00 0.09 -0.00 3.23 3.64 -1.99 0.80 116.57 122.35 1mjp h LYS 31 Ca 0.12 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1mjp h LYS 31 Cb 0.32 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1mjp h LYS 31 CO -0.72 0.06 -0.00 0.28 -2.27 0.00 0.00 179.45 176.79 1mjp h VAL 32 N 0.10 1.59 -0.22 2.00 2.07 -0.31 -2.90 116.25 118.58 1mjp h VAL 32 Ca 0.77 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1mjp h VAL 32 Cb 1.90 2.76 -0.06 0.00 -1.52 0.00 0.00 31.29 34.37 1mjp h VAL 32 CO -0.74 0.45 -0.49 0.25 0.02 0.00 0.00 177.57 177.05 1mjp h LEU 33 N -0.73 -1.60 -0.64 2.57 5.85 0.13 0.34 115.31 121.23 1mjp h LEU 33 Ca -0.00 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1mjp h LEU 33 Cb 0.74 0.64 -0.08 0.00 0.37 0.00 0.00 40.66 42.33 1mjp h LEU 33 CO 0.00 -0.41 -0.38 1.17 -0.34 0.00 0.00 178.44 178.49 1mjp n LYS 34 N -5.11 -0.28 -0.23 1.25 3.00 0.24 0.14 118.16 117.17 1mjp n LYS 34 Ca -0.05 1.20 0.01 0.00 -0.00 0.00 0.00 58.31 59.48 1mjp n LYS 34 Cb 0.33 -1.78 0.13 0.00 0.00 0.00 0.00 35.03 33.71 1mjp n LYS 34 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1mjp h ILE 35 N 0.00 0.78 0.00 3.15 2.04 -1.15 0.13 117.51 122.46 1mjp h ILE 35 Ca 0.10 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1mjp h ILE 35 Cb 0.26 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1mjp h ILE 35 CO -0.60 0.09 0.00 -0.11 0.00 0.00 0.00 178.15 177.53 1mjp n LEU 36 N -4.95 0.00 -0.60 1.44 7.94 0.19 -2.75 117.00 118.27 1mjp n LEU 36 Ca 0.10 0.84 0.48 0.00 -1.11 0.00 0.00 56.01 56.33 1mjp n LEU 36 Cb 0.29 -0.34 0.77 0.00 0.53 0.00 0.00 43.42 44.68 1mjp n LEU 36 CO 0.22 -0.34 1.45 0.74 -1.11 0.00 0.00 177.39 178.35 1mjp h THR 37 N 0.00 0.05 0.00 1.96 2.02 0.14 0.37 112.91 117.45 1mjp h THR 37 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1mjp h THR 37 Cb 0.00 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 1mjp h THR 37 CO 0.00 0.00 -0.52 0.44 0.37 0.00 0.00 175.52 175.81 1mjp h ASP 38 N 0.00 0.00 0.79 4.18 5.19 -0.56 -1.58 116.42 124.44 1mjp h ASP 38 Ca 0.84 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 57.01 1mjp h ASP 38 Cb 3.50 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 43.00 1mjp h ASP 38 CO -0.01 0.52 -1.10 -0.08 -3.12 0.00 0.00 179.24 175.45 1mjp h GLU 39 N 0.00 0.14 -0.32 3.56 4.57 -0.07 -1.64 114.58 120.83 1mjp h GLU 39 Ca -0.01 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1mjp h GLU 39 Cb 1.00 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1mjp h GLU 39 CO 0.07 1.09 0.14 -0.09 -1.18 0.00 0.00 179.01 179.04 1mjp h ARG 40 N 0.04 0.47 -0.70 1.92 2.43 -1.24 0.22 114.38 117.51 1mjp h ARG 40 Ca -0.07 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1mjp h ARG 40 Cb 1.83 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 31.24 1mjp h ARG 40 CO 0.16 0.46 0.39 1.15 -1.51 0.00 0.00 179.97 180.62 1mjp h THR 41 N 0.37 0.94 -0.20 0.20 2.02 -1.23 -0.59 112.91 114.42 1mjp h THR 41 Ca 0.11 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1mjp h THR 41 Cb 0.16 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1mjp h THR 41 CO -0.01 0.13 0.04 -0.09 0.37 0.00 0.00 175.52 175.95 1mjp h ARG 42 N 0.69 0.11 0.00 6.66 2.43 -0.17 -0.60 114.38 123.51 1mjp h ARG 42 Ca 0.33 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1mjp h ARG 42 Cb 0.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1mjp h ARG 42 CO -0.21 0.07 -0.18 0.00 -1.51 0.00 0.00 179.97 178.14 1mjp h ARG 43 N 0.12 0.00 0.00 0.20 3.08 -0.14 -3.09 114.38 114.55 1mjp h ARG 43 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1mjp h ARG 43 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1mjp h ARG 43 CO -0.12 0.18 -0.08 0.87 -1.07 0.00 0.00 179.97 179.75 1mjp h LYS 44 N 0.00 0.05 -0.20 0.04 1.57 -0.34 -0.27 116.57 117.42 1mjp h LYS 44 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1mjp h LYS 44 Cb 0.48 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1mjp h LYS 44 CO 0.02 0.85 0.00 1.33 -0.57 0.00 0.00 179.45 181.09 1mjp n VAL 45 N -4.64 0.11 -2.75 0.50 0.24 -0.30 -3.28 118.33 108.21 1mjp n VAL 45 Ca -0.10 -0.09 -0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1mjp n VAL 45 Cb 0.43 -0.03 0.05 0.00 -1.47 0.00 0.00 33.84 32.82 1mjp n VAL 45 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1mjp n ASN 46 N -0.26 1.64 -2.83 -1.34 4.13 -1.17 -5.03 115.26 110.40 1mjp n ASN 46 Ca 0.02 -2.11 -0.07 0.00 1.68 0.00 0.00 54.58 54.11 1mjp n ASN 46 Cb 0.10 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 1mjp n ASN 46 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1mjp n ASN 47 N -0.47 -1.31 -4.27 6.41 2.85 -1.20 -4.92 115.26 112.35 1mjp n ASN 47 Ca 0.09 -0.27 -0.27 0.00 -0.11 0.00 0.00 54.58 54.02 1mjp n ASN 47 Cb 0.85 -0.43 -0.15 0.00 1.24 0.00 0.00 39.78 41.29 1mjp n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1mjp s LEU 48 N -2.77 2.13 0.39 1.20 1.43 -0.11 -3.75 118.68 117.20 1mjp s LEU 48 Ca 0.00 -0.51 -0.26 0.00 -1.03 0.00 0.00 54.13 52.33 1mjp s LEU 48 Cb -0.00 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 1mjp s LEU 48 CO 0.25 0.21 1.28 -0.13 0.23 0.00 0.00 176.35 178.19 1mjp s ARG 49 N -1.02 4.06 -0.35 1.70 0.52 0.54 -4.18 118.95 120.23 1mjp s ARG 49 Ca 0.09 2.12 -0.09 0.00 -0.52 0.00 0.00 55.73 57.33 1mjp s ARG 49 Cb -0.09 -2.81 0.01 0.00 0.52 0.00 0.00 34.95 32.58 1mjp s ARG 49 CO 0.01 -0.41 0.44 0.72 0.02 0.00 0.00 175.30 176.08 1mjp n HIS 50 N 0.26 -2.41 -2.68 -0.53 8.25 -1.26 -4.88 115.22 111.97 1mjp n HIS 50 Ca 0.03 0.96 -0.23 0.00 -0.26 0.00 0.00 57.72 58.23 1mjp n HIS 50 Cb 0.44 -3.34 -0.01 0.00 1.12 0.00 0.00 29.99 28.20 1mjp n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mjp n ALA 51 N -0.59 4.38 -2.64 -1.41 0.00 -1.26 -4.82 120.51 114.17 1mjp n ALA 51 Ca 0.07 -4.08 -0.18 0.00 0.00 0.00 0.00 53.44 49.25 1mjp n ALA 51 Cb 0.36 -0.70 -0.12 0.00 0.00 0.00 0.00 19.45 18.99 1mjp n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mjp s THR 52 N -4.54 1.15 0.10 0.00 -4.23 -1.26 -4.82 115.64 102.05 1mjp s THR 52 Ca 0.43 -1.41 -0.31 0.00 -1.18 0.00 0.00 61.69 59.22 1mjp s THR 52 Cb 0.38 -1.19 -0.11 0.00 1.34 0.00 0.00 72.50 72.92 1mjp s THR 52 CO -0.12 -0.28 1.60 0.78 -0.54 0.00 0.00 174.62 176.06 1mjp h ASN 53 N 4.08 -1.07 -0.57 3.99 2.35 -1.95 -1.30 115.58 121.12 1mjp h ASN 53 Ca -0.40 0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.50 1mjp h ASN 53 Cb 1.19 0.38 -0.07 0.00 0.05 0.00 0.00 38.32 39.88 1mjp h ASN 53 CO 0.43 -0.49 -0.34 -1.20 -1.65 0.00 0.00 177.43 174.18 1mjp n SER 54 N -5.46 -0.61 -0.16 5.81 7.64 -1.26 -0.46 113.62 119.12 1mjp n SER 54 Ca -0.08 1.34 -0.08 0.00 1.01 0.00 0.00 58.87 61.05 1mjp n SER 54 Cb 0.37 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1mjp n SER 54 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1mjp h GLU 55 N 0.00 -0.25 -0.52 1.43 4.81 -1.85 0.03 114.58 118.22 1mjp h GLU 55 Ca 0.09 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1mjp h GLU 55 Cb 0.24 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.58 1mjp h GLU 55 CO -0.54 -0.17 -0.48 -0.07 -0.73 0.00 0.00 179.01 177.02 1mjp h LEU 56 N -0.26 -1.63 0.01 1.64 3.38 0.41 -0.25 115.31 118.61 1mjp h LEU 56 Ca 0.17 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1mjp h LEU 56 Cb 0.57 0.71 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1mjp h LEU 56 CO -0.63 -0.36 -0.03 -0.07 0.09 0.00 0.00 178.44 177.45 1mjp h LEU 57 N -0.28 -0.09 -1.08 1.67 3.38 0.35 -1.28 115.31 117.98 1mjp h LEU 57 Ca 0.14 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.55 1mjp h LEU 57 Cb 0.57 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.19 1mjp h LEU 57 CO -0.66 -0.03 0.62 0.00 0.09 0.00 0.00 178.44 178.46 1mjp h GLU 59 N 0.00 -0.70 -0.24 0.00 5.08 -0.22 -3.08 114.58 115.42 1mjp h GLU 59 Ca 0.84 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 59.28 1mjp h GLU 59 Cb 2.36 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.71 1mjp h GLU 59 CO -0.67 -0.44 -0.46 0.00 -1.00 0.00 0.00 179.01 176.44 1mjp h ALA 60 N -0.39 -0.75 -2.94 3.43 0.00 0.84 -2.57 119.26 116.89 1mjp h ALA 60 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1mjp h ALA 60 Cb 0.59 1.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1mjp h ALA 60 CO 0.12 -0.94 0.00 0.34 0.00 0.00 0.00 179.25 178.77 1mjp n PHE 61 N -4.91 0.00 -0.01 0.00 7.35 -0.73 -1.42 117.46 117.75 1mjp n PHE 61 Ca -0.04 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1mjp n PHE 61 Cb 0.29 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.12 1mjp n PHE 61 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1mjp n LEU 62 N -0.18 -0.02 0.00 -2.13 4.77 -1.16 -0.58 117.00 117.69 1mjp n LEU 62 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1mjp n LEU 62 Cb 0.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1mjp n LEU 62 CO 0.00 -0.04 0.40 1.57 -1.33 0.00 0.00 177.39 177.99 1mjp n HIS 63 N -4.04 0.00 -0.32 -1.77 -0.00 -0.61 0.17 115.22 108.66 1mjp n HIS 63 Ca 0.00 0.00 0.18 0.00 0.46 0.00 0.00 57.72 58.36 1mjp n HIS 63 Cb 0.01 -0.30 0.37 0.00 -0.12 0.00 0.00 29.99 29.95 1mjp n HIS 63 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1mjp h ALA 64 N -1.84 1.55 0.01 1.57 0.00 0.36 4.32 119.26 125.23 1mjp h ALA 64 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 1mjp h ALA 64 Cb 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1mjp h ALA 64 CO 0.00 -0.54 -1.07 0.35 0.00 0.00 0.00 179.25 177.99 1mjp h PHE 65 N 0.22 0.02 0.00 0.00 3.04 -0.89 -3.39 116.94 115.94 1mjp h PHE 65 Ca 0.64 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.49 1mjp h PHE 65 Cb 1.38 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.88 1mjp h PHE 65 CO -0.18 1.01 -1.37 0.25 -2.02 0.00 0.00 178.31 176.00 1mjp n THR 66 N -3.33 0.32 0.00 4.41 -2.24 0.46 -5.00 114.28 108.89 1mjp n THR 66 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1mjp n THR 66 Cb 0.95 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1mjp n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mjp n GLY 67 N 2.56 1.71 0.08 3.38 0.00 1.41 -4.27 105.19 110.07 1mjp n GLY 67 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1mjp n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mjp n GLN 68 N -0.08 0.00 -1.97 1.61 7.27 -1.24 -4.71 117.38 118.26 1mjp n GLN 68 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.68 1mjp n GLN 68 Cb 0.00 -0.03 0.01 0.00 2.41 0.00 0.00 30.24 32.63 1mjp n GLN 68 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1mjp s PRO 69 N 0.04 3.62 0.32 3.69 0.02 -1.26 -4.16 135.00 137.27 1mjp s PRO 69 Ca 0.02 2.15 -0.27 0.00 0.02 0.00 0.00 61.00 62.92 1mjp s PRO 69 Cb -0.03 -2.52 -0.10 0.00 0.02 0.00 0.00 34.50 31.88 1mjp s PRO 69 CO 0.02 -0.78 0.96 -0.51 -0.33 0.00 0.00 177.00 176.36 1mjp s LEU 70 N -2.94 4.37 0.55 -5.54 1.43 -1.26 -4.87 118.68 110.43 1mjp s LEU 70 Ca 0.63 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 55.44 1mjp s LEU 70 Cb -0.38 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 1mjp s LEU 70 CO 0.47 -0.08 1.07 -2.16 0.23 0.00 0.00 176.35 175.88 1mjp s PRO 71 N -1.95 3.47 0.10 1.29 0.04 -1.26 -4.93 135.00 131.76 1mjp s PRO 71 Ca 0.49 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.91 1mjp s PRO 71 Cb -0.20 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.31 1mjp s PRO 71 CO 0.26 -0.71 0.12 -0.40 0.04 0.00 0.00 177.00 176.32 1mjp n ASP 72 N -1.50 0.63 0.10 6.66 5.68 -1.26 -4.94 116.55 121.92 1mjp n ASP 72 Ca 0.10 -1.29 -0.04 0.00 -0.50 0.00 0.00 54.79 53.06 1mjp n ASP 72 Cb 0.52 -0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1mjp n ASP 72 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1mjp h ASP 73 N 0.04 0.00 -0.79 -1.12 5.19 -1.96 -0.62 116.42 117.17 1mjp h ASP 73 Ca -0.05 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1mjp h ASP 73 Cb 0.22 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.69 1mjp h ASP 73 CO 0.08 0.79 0.47 0.00 -3.12 0.00 0.00 179.24 177.46 1mjp h ALA 74 N 1.21 1.34 0.00 3.45 0.00 -1.98 0.11 119.26 123.39 1mjp h ALA 74 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1mjp h ALA 74 Cb 1.42 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1mjp h ALA 74 CO 0.10 0.57 -0.35 -0.44 0.00 0.00 0.00 179.25 179.13 1mjp h ASP 75 N 1.10 0.00 -0.11 0.00 3.32 -1.78 -3.19 116.42 115.75 1mjp h ASP 75 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1mjp h ASP 75 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1mjp h ASP 75 CO -0.05 0.35 0.00 0.18 -1.72 0.00 0.00 179.24 177.99 1mjp n LEU 76 N -3.61 3.06 -4.70 1.55 4.77 -0.07 -4.89 117.00 113.11 1mjp n LEU 76 Ca -0.01 -1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 54.43 1mjp n LEU 76 Cb 0.47 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1mjp n LEU 76 CO 0.36 0.55 0.92 0.54 -1.33 0.00 0.00 177.39 178.43 1mjp n ARG 77 N 1.35 2.13 0.12 3.23 5.12 0.19 0.20 116.66 129.01 1mjp n ARG 77 Ca 0.15 0.75 -0.13 0.00 -1.93 0.00 0.00 57.85 56.68 1mjp n ARG 77 Cb 0.59 -2.34 -0.08 0.00 -1.16 0.00 0.00 32.46 29.47 1mjp n ARG 77 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1mjp h LYS 78 N 2.74 -0.21 0.00 5.56 1.57 -1.91 -1.14 116.57 123.18 1mjp h LYS 78 Ca -0.46 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1mjp h LYS 78 Cb 1.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1mjp h LYS 78 CO 0.64 -0.13 0.00 0.39 -0.57 0.00 0.00 179.45 179.78 1mjp n GLU 79 N -5.18 0.05 -3.44 3.15 4.71 -1.26 -3.96 120.64 114.71 1mjp n GLU 79 Ca -0.09 0.27 -0.44 0.00 -0.01 0.00 0.00 57.16 56.89 1mjp n GLU 79 Cb 0.12 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.00 1mjp n GLU 79 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1mjp s ARG 80 N -2.61 3.01 0.44 3.49 3.52 -0.43 -5.07 118.95 121.30 1mjp s ARG 80 Ca 0.03 -2.09 -0.04 0.00 -0.13 0.00 0.00 55.73 53.51 1mjp s ARG 80 Cb 0.03 -4.17 0.06 0.00 -1.56 0.00 0.00 34.95 29.30 1mjp s ARG 80 CO 0.06 -1.26 0.13 -1.13 -0.81 0.00 0.00 175.30 172.28 1mjp n SER 81 N 4.49 -1.72 -4.59 -2.12 3.41 -1.25 -4.61 113.62 107.23 1mjp n SER 81 Ca -0.00 -0.13 -0.38 0.00 -0.26 0.00 0.00 58.87 58.10 1mjp n SER 81 Cb 0.42 -0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 1mjp n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mjp s ASP 82 N -1.40 6.08 0.00 4.04 2.15 -1.26 -4.97 116.67 121.31 1mjp s ASP 82 Ca 0.10 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.15 1mjp s ASP 82 Cb -0.02 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1mjp s ASP 82 CO 0.08 -0.08 0.00 -1.84 -0.17 0.00 0.00 175.17 173.16 1mjp n GLU 83 N 5.13 0.00 -3.73 4.34 0.28 -1.26 -5.18 120.64 120.22 1mjp n GLU 83 Ca -0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.57 1mjp n GLU 83 Cb 0.52 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.34 1mjp n GLU 83 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1mjp s ILE 84 N -1.44 5.22 0.75 3.84 1.01 -1.26 -5.07 121.20 124.26 1mjp s ILE 84 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1mjp s ILE 84 Cb 0.00 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1mjp s ILE 84 CO 0.00 0.01 0.87 -2.65 0.00 0.00 0.00 174.94 173.17 1mjp n PRO 85 N -0.05 0.34 0.04 2.79 -0.02 -1.26 -4.77 135.00 132.07 1mjp n PRO 85 Ca -0.03 0.17 -0.04 0.00 -2.02 0.00 0.00 63.50 61.58 1mjp n PRO 85 Cb 0.52 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1mjp n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mjp h GLU 86 N -0.50 -0.17 -0.84 -0.52 4.39 -1.97 -2.32 114.58 112.65 1mjp h GLU 86 Ca -0.46 0.01 0.24 0.00 0.34 0.00 0.00 59.36 59.48 1mjp h GLU 86 Cb 1.33 0.04 -0.16 0.00 -0.10 0.00 0.00 28.75 29.86 1mjp h GLU 86 CO 0.45 -0.12 0.03 0.00 -1.16 0.00 0.00 179.01 178.21 1mjp n ALA 87 N -2.46 0.44 0.16 3.43 0.00 -1.26 0.19 120.51 121.02 1mjp n ALA 87 Ca -0.02 0.90 -0.10 0.00 0.00 0.00 0.00 53.44 54.22 1mjp n ALA 87 Cb 0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1mjp n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mjp h ALA 88 N 1.69 -0.98 -0.87 0.00 0.00 -1.83 -1.68 119.26 115.59 1mjp h ALA 88 Ca 0.52 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.42 1mjp h ALA 88 Cb 1.08 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 19.25 1mjp h ALA 88 CO -0.79 -0.99 -0.53 0.87 0.00 0.00 0.00 179.25 177.81 1mjp h LYS 89 N -0.55 -0.08 -0.96 0.00 1.57 0.28 0.46 116.57 117.29 1mjp h LYS 89 Ca -0.04 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.97 1mjp h LYS 89 Cb 0.47 0.02 -0.18 0.00 0.08 0.00 0.00 32.23 32.62 1mjp h LYS 89 CO -0.03 -0.05 -0.12 1.49 -0.57 0.00 0.00 179.45 180.17 1mjp h GLU 90 N -0.08 0.01 0.02 3.15 4.81 -0.81 0.68 114.58 122.36 1mjp h GLU 90 Ca 0.18 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 1mjp h GLU 90 Cb 0.49 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1mjp h GLU 90 CO -0.87 0.01 -0.94 0.82 -0.73 0.00 0.00 179.01 177.30 1mjp h ILE 91 N 0.01 1.52 -0.24 2.32 2.04 0.69 -3.22 117.51 120.63 1mjp h ILE 91 Ca 0.51 -2.75 0.03 0.00 1.00 0.00 0.00 64.86 63.65 1mjp h ILE 91 Cb 0.91 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 1mjp h ILE 91 CO -0.95 0.80 0.08 0.24 0.00 0.00 0.00 178.15 178.33 1mjp h MET 92 N 0.10 0.19 0.06 2.37 2.86 0.16 -3.11 114.93 117.55 1mjp h MET 92 Ca -0.05 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1mjp h MET 92 Cb 1.59 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 33.17 1mjp h MET 92 CO 0.14 0.12 -0.29 0.00 1.06 0.00 0.00 176.91 177.95 1mjp h ARG 93 N 0.19 -0.46 -0.78 1.72 3.08 -0.88 0.97 114.38 118.22 1mjp h ARG 93 Ca 0.11 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.37 1mjp h ARG 93 Cb 0.08 0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 1mjp h ARG 93 CO -0.11 -0.30 0.16 0.93 -1.07 0.00 0.00 179.97 179.57 1mjp h GLU 94 N -0.47 0.21 0.00 0.04 5.08 -1.55 0.18 114.58 118.07 1mjp h GLU 94 Ca 0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1mjp h GLU 94 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1mjp h GLU 94 CO -0.20 0.14 0.00 -1.33 -1.00 0.00 0.00 179.01 176.61 1mjp n MET 95 N -5.22 0.20 0.00 2.33 0.00 -1.20 -4.82 117.12 108.42 1mjp n MET 95 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1mjp n MET 95 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.25 1mjp n MET 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1mjp n GLY 96 N 0.34 1.32 3.50 3.03 0.00 0.63 -5.08 105.19 108.93 1mjp n GLY 96 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1mjp n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjp s ILE 97 N -2.00 5.27 -0.62 -0.61 1.01 0.33 -4.98 121.20 119.59 1mjp s ILE 97 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.02 1mjp s ILE 97 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1mjp s ILE 97 CO 0.00 -0.13 1.85 0.21 0.00 0.00 0.00 174.94 176.87 1mjp s ASN 98 N 1.71 5.29 0.30 3.58 3.84 -1.26 -2.53 114.94 125.87 1mjp s ASN 98 Ca 0.06 0.29 0.21 0.00 0.21 0.00 0.00 52.86 53.62 1mjp s ASN 98 Cb -0.18 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.10 1mjp s ASN 98 CO 0.10 -2.37 1.64 -2.65 -2.79 0.00 0.00 177.10 171.03 1mjp n PRO 99 N 9.19 0.14 0.00 0.43 -0.02 -1.26 -1.24 135.00 142.23 1mjp n PRO 99 Ca 0.20 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.42 1mjp n PRO 99 Cb 0.52 -1.93 0.10 0.00 -0.02 0.00 0.00 33.50 32.16 1mjp n PRO 99 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1mjp n GLU 100 N -2.22 0.98 -0.00 -0.52 -0.58 -1.26 -4.25 120.64 112.78 1mjp n GLU 100 Ca -0.01 -0.75 0.01 0.00 -0.42 0.00 0.00 57.16 55.99 1mjp n GLU 100 Cb 0.04 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 1mjp n GLU 100 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1mjp n THR 101 N -0.36 0.00 -1.47 2.62 -2.24 -0.58 -5.02 114.28 107.22 1mjp n THR 101 Ca 0.10 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.39 1mjp n THR 101 Cb 0.42 0.47 -0.13 0.00 -2.10 0.00 0.00 70.33 68.99 1mjp n THR 101 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1mjp n TRP 102 N -1.55 0.74 -2.14 4.78 -0.00 -0.37 -4.85 117.44 114.05 1mjp n TRP 102 Ca -0.00 0.40 -0.43 0.00 -0.00 0.00 0.00 57.50 57.47 1mjp n TRP 102 Cb 0.05 -2.40 -0.02 0.00 -0.00 0.00 0.00 31.31 28.94 1mjp n TRP 102 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1mjp s GLU 103 N 8.50 3.81 0.00 5.87 2.02 -1.26 -5.08 118.70 132.56 1mjp s GLU 103 Ca 1.30 1.64 0.00 0.00 0.02 0.00 0.00 54.97 57.93 1mjp s GLU 103 Cb -1.18 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 29.03 1mjp s GLU 103 CO 0.49 -1.28 0.00 2.48 0.02 0.00 0.00 175.26 176.97