#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 s THR 4 N 0.00 5.41 0.09 1.47 -4.23 -1.26 -4.78 115.64 112.33 2ri4 s THR 4 Ca 0.00 0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 2ri4 s THR 4 Cb 0.00 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.46 2ri4 s THR 4 CO 0.00 0.44 0.33 0.00 -0.54 0.00 0.00 174.62 174.85 2ri4 n ALA 5 N 3.47 0.26 -0.59 3.99 0.00 -1.26 0.14 120.51 126.51 2ri4 n ALA 5 Ca -0.16 0.20 0.47 0.00 0.00 0.00 0.00 53.44 53.95 2ri4 n ALA 5 Cb 0.52 -0.22 0.78 0.00 0.00 0.00 0.00 19.45 20.53 2ri4 n ALA 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ri4 h GLU 6 N 0.00 0.02 0.00 0.00 4.57 -1.95 -2.06 114.58 115.16 2ri4 h GLU 6 Ca 0.18 -0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 58.13 2ri4 h GLU 6 Cb 0.55 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 2ri4 h GLU 6 CO -0.12 0.01 -1.89 -0.85 -1.18 0.00 0.00 179.01 174.98 2ri4 n GLU 7 N -4.15 1.43 0.04 1.92 0.28 0.38 -3.90 120.64 116.64 2ri4 n GLU 7 Ca 0.40 0.03 0.02 0.00 -0.16 0.00 0.00 57.16 57.45 2ri4 n GLU 7 Cb 1.78 -1.33 0.13 0.00 1.43 0.00 0.00 31.44 33.45 2ri4 n GLU 7 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2ri4 n LYS 8 N -2.64 0.03 -0.62 3.44 5.02 -0.93 -1.70 118.16 120.77 2ri4 n LYS 8 Ca -0.23 0.48 0.03 0.00 -2.02 0.00 0.00 58.31 56.57 2ri4 n LYS 8 Cb 0.88 -1.67 0.04 0.00 -0.02 0.00 0.00 35.03 34.26 2ri4 n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ri4 n ALA 9 N -1.51 2.23 0.10 7.82 0.00 -0.82 -3.56 120.51 124.78 2ri4 n ALA 9 Ca -0.00 -1.72 0.01 0.00 0.00 0.00 0.00 53.44 51.73 2ri4 n ALA 9 Cb 0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 2ri4 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 n ALA 10 N -0.25 2.31 -0.08 0.00 0.00 -0.74 -4.49 120.51 117.25 2ri4 n ALA 10 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 2ri4 n ALA 10 Cb 0.77 -0.08 -0.15 0.00 0.00 0.00 0.00 19.45 20.00 2ri4 n ALA 10 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2ri4 n VAL 11 N -0.93 1.49 -0.03 0.00 3.14 -0.69 -3.66 118.33 117.66 2ri4 n VAL 11 Ca 0.01 -0.77 -0.17 0.00 -2.96 0.00 0.00 64.34 60.44 2ri4 n VAL 11 Cb 0.04 -0.87 -0.07 0.00 -1.06 0.00 0.00 33.84 31.87 2ri4 n VAL 11 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2ri4 h THR 12 N 0.01 1.30 -0.98 1.55 2.02 -1.79 -1.71 112.91 113.31 2ri4 h THR 12 Ca -0.49 -1.92 0.11 0.00 0.77 0.00 0.00 66.41 64.88 2ri4 h THR 12 Cb 2.11 2.03 -0.08 0.00 -1.74 0.00 0.00 68.15 70.48 2ri4 h THR 12 CO 0.02 0.60 0.62 1.23 0.37 0.00 0.00 175.52 178.37 2ri4 h GLY 13 N 0.42 1.54 0.74 2.16 0.00 -1.79 0.05 103.07 106.20 2ri4 h GLY 13 Ca -0.05 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2ri4 h GLY 13 CO 0.14 0.19 -0.44 -2.75 0.00 0.00 0.00 176.54 173.68 2ri4 h PHE 14 N 0.98 0.54 -0.51 5.60 3.04 -1.62 -3.34 116.94 121.64 2ri4 h PHE 14 Ca 0.47 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 2ri4 h PHE 14 Cb 0.45 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 2ri4 h PHE 14 CO -0.00 1.04 0.23 2.35 -2.02 0.00 0.00 178.31 179.91 2ri4 h TRP 15 N -0.10 0.71 -0.21 0.41 2.91 -0.54 0.52 115.95 119.65 2ri4 h TRP 15 Ca -0.04 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.02 2ri4 h TRP 15 Cb 1.12 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 2ri4 h TRP 15 CO 0.13 0.54 0.16 0.78 -1.03 0.00 0.00 178.44 179.02 2ri4 h GLY 16 N 0.84 0.00 0.63 2.65 0.00 -1.14 -2.68 103.07 103.37 2ri4 h GLY 16 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2ri4 h GLY 16 CO -0.02 0.00 -0.31 1.17 0.00 0.00 0.00 176.54 177.38 2ri4 n LYS 17 N -4.35 0.52 -2.76 4.80 4.81 0.18 -4.93 118.16 116.43 2ri4 n LYS 17 Ca 0.02 -0.28 -0.39 0.00 -0.87 0.00 0.00 58.31 56.79 2ri4 n LYS 17 Cb 0.30 -1.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 2ri4 n LYS 17 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2ri4 s VAL 18 N -2.68 4.12 -1.31 3.15 1.01 -1.01 -4.97 120.40 118.71 2ri4 s VAL 18 Ca 0.20 2.00 -0.16 0.00 0.00 0.00 0.00 61.98 64.02 2ri4 s VAL 18 Cb 0.19 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.43 2ri4 s VAL 18 CO 0.57 0.39 1.76 1.17 0.00 0.00 0.00 175.10 178.99 2ri4 n LYS 19 N 1.20 3.19 -0.04 2.72 3.00 -1.26 -4.88 118.16 122.09 2ri4 n LYS 19 Ca -0.01 -3.29 -0.08 0.00 -0.00 0.00 0.00 58.31 54.93 2ri4 n LYS 19 Cb 0.48 -3.37 -0.03 0.00 0.00 0.00 0.00 35.03 32.11 2ri4 n LYS 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2ri4 h VAL 20 N 5.12 0.82 -0.56 3.15 2.07 -1.93 0.26 116.25 125.18 2ri4 h VAL 20 Ca 0.44 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 68.01 2ri4 h VAL 20 Cb 0.83 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 2ri4 h VAL 20 CO 1.49 0.01 -0.49 -2.24 0.02 0.00 0.00 177.57 176.36 2ri4 h ASP 21 N 0.03 -1.71 1.44 0.57 3.04 -1.93 -2.98 116.42 114.87 2ri4 h ASP 21 Ca 0.10 0.24 -0.07 0.00 -3.24 0.00 0.00 57.03 54.06 2ri4 h ASP 21 Cb 0.14 0.73 -0.01 0.00 -1.04 0.00 0.00 39.33 39.15 2ri4 h ASP 21 CO -0.19 -0.29 -0.58 1.05 -2.04 0.00 0.00 179.24 177.20 2ri4 h GLU 22 N -0.20 0.00 -0.71 4.15 4.11 -1.82 -3.21 114.58 116.89 2ri4 h GLU 22 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.46 2ri4 h GLU 22 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2ri4 h GLU 22 CO -0.63 0.23 0.20 0.28 0.07 0.00 0.00 179.01 179.16 2ri4 h VAL 23 N 0.00 1.26 -0.06 -1.06 2.07 -0.46 -0.66 116.25 117.33 2ri4 h VAL 23 Ca -0.03 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 2ri4 h VAL 23 Cb 1.23 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2ri4 h VAL 23 CO 0.03 0.36 -0.28 1.23 0.02 0.00 0.00 177.57 178.93 2ri4 h GLY 24 N 1.09 0.33 0.12 2.17 0.00 -1.61 0.03 103.07 105.20 2ri4 h GLY 24 Ca 0.23 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 47.13 2ri4 h GLY 24 CO -0.00 0.41 -0.44 0.00 0.00 0.00 0.00 176.54 176.50 2ri4 h ALA 25 N 0.43 -0.73 -0.21 3.60 0.00 -1.53 -0.56 119.26 120.26 2ri4 h ALA 25 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ri4 h ALA 25 Cb 0.92 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2ri4 h ALA 25 CO 0.06 -0.99 0.11 1.49 0.00 0.00 0.00 179.25 179.92 2ri4 h GLU 26 N -0.60 0.30 -0.49 0.00 4.81 -1.12 -2.18 114.58 115.30 2ri4 h GLU 26 Ca 0.04 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2ri4 h GLU 26 Cb 0.67 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.92 2ri4 h GLU 26 CO -0.33 0.30 0.00 0.00 -0.73 0.00 0.00 179.01 178.25 2ri4 h ALA 27 N 0.98 0.46 0.00 2.92 0.00 -0.79 -1.26 119.26 121.58 2ri4 h ALA 27 Ca 0.07 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2ri4 h ALA 27 Cb 0.09 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ri4 h ALA 27 CO -0.01 -0.39 -0.16 1.25 0.00 0.00 0.00 179.25 179.94 2ri4 h LEU 28 N 0.12 0.00 0.01 0.00 6.46 -0.84 -1.95 115.31 119.10 2ri4 h LEU 28 Ca 0.25 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 2ri4 h LEU 28 Cb 0.37 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.31 2ri4 h LEU 28 CO -0.41 0.16 -0.41 1.23 -0.62 0.00 0.00 178.44 178.39 2ri4 h GLY 29 N 1.46 0.30 0.86 3.75 0.00 -0.69 -3.08 103.07 105.67 2ri4 h GLY 29 Ca -0.00 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.80 2ri4 h GLY 29 CO 0.02 0.48 -0.06 3.21 0.00 0.00 0.00 176.54 180.18 2ri4 h ARG 30 N -0.35 -0.12 0.00 4.80 3.08 -0.78 0.20 114.38 121.21 2ri4 h ARG 30 Ca -0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2ri4 h ARG 30 Cb 1.16 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2ri4 h ARG 30 CO 0.08 -0.08 0.00 -0.11 -1.07 0.00 0.00 179.97 178.79 2ri4 n LEU 31 N -5.18 0.00 -0.47 3.04 7.94 -0.78 0.26 117.00 121.81 2ri4 n LEU 31 Ca -0.06 0.67 0.41 0.00 -1.11 0.00 0.00 56.01 55.92 2ri4 n LEU 31 Cb 0.11 -0.17 0.76 0.00 0.53 0.00 0.00 43.42 44.64 2ri4 n LEU 31 CO 0.31 -0.17 1.37 -0.07 -1.11 0.00 0.00 177.39 177.72 2ri4 h LEU 32 N 0.00 0.05 0.00 -1.96 -0.00 -1.41 0.31 115.31 112.30 2ri4 h LEU 32 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.85 2ri4 h LEU 32 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 2ri4 h LEU 32 CO 0.00 -0.01 -0.32 1.62 -0.00 0.00 0.00 178.44 179.73 2ri4 h VAL 33 N 0.03 1.09 -0.25 1.22 3.04 0.27 -3.32 116.25 118.33 2ri4 h VAL 33 Ca 0.73 -1.92 -0.08 0.00 -1.01 0.00 0.00 66.70 64.42 2ri4 h VAL 33 Cb 2.80 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 34.23 2ri4 h VAL 33 CO -0.06 0.37 -0.18 0.58 -1.01 0.00 0.00 177.57 177.27 2ri4 h VAL 34 N -1.00 1.24 -2.21 1.51 2.07 0.51 -3.30 116.25 115.07 2ri4 h VAL 34 Ca -0.08 -1.10 -0.60 0.00 0.82 0.00 0.00 66.70 65.75 2ri4 h VAL 34 Cb 0.82 1.25 -0.42 0.00 -1.52 0.00 0.00 31.29 31.42 2ri4 h VAL 34 CO -0.05 0.35 -0.61 -1.22 0.02 0.00 0.00 177.57 176.06 2ri4 n TYR 35 N -4.18 3.50 0.21 1.57 4.01 0.94 -4.97 117.16 118.24 2ri4 n TYR 35 Ca 0.00 -4.14 0.08 0.00 -0.16 0.00 0.00 57.90 53.68 2ri4 n TYR 35 Cb 0.35 -0.55 0.42 0.00 -0.31 0.00 0.00 39.34 39.25 2ri4 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ri4 h PRO 36 N 4.20 0.00 0.00 -0.72 0.11 -1.66 0.92 132.00 134.85 2ri4 h PRO 36 Ca 0.19 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.20 2ri4 h PRO 36 Cb 0.67 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 2ri4 h PRO 36 CO 0.82 0.00 -0.49 0.11 -0.21 0.00 0.00 178.00 178.23 2ri4 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -3.15 115.95 111.62 2ri4 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2ri4 h TRP 37 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.95 2ri4 h TRP 37 CO 0.00 0.47 0.00 1.79 0.09 0.00 0.00 178.44 180.79 2ri4 h THR 38 N 0.00 0.00 -0.90 0.12 1.35 -1.11 -2.37 112.91 110.00 2ri4 h THR 38 Ca -0.01 -0.16 0.24 0.00 -0.55 0.00 0.00 66.41 65.93 2ri4 h THR 38 Cb 1.37 0.93 -0.16 0.00 -1.73 0.00 0.00 68.15 68.55 2ri4 h THR 38 CO 0.06 0.00 0.05 -0.61 -0.25 0.00 0.00 175.52 174.77 2ri4 h GLN 39 N 0.00 0.07 0.00 4.72 4.15 -1.74 -2.26 115.11 120.05 2ri4 h GLN 39 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2ri4 h GLN 39 Cb 0.20 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.87 2ri4 h GLN 39 CO 0.00 0.04 0.00 2.89 -1.93 0.00 0.00 178.83 179.83 2ri4 n ARG 40 N -5.41 0.01 0.16 1.69 1.85 -0.89 -0.36 116.66 113.70 2ri4 n ARG 40 Ca 0.20 0.36 0.10 0.00 -1.00 0.00 0.00 57.85 57.51 2ri4 n ARG 40 Cb 0.66 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.65 2ri4 n ARG 40 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2ri4 h PHE 41 N 0.00 0.00 -0.08 2.89 -1.00 -1.64 -3.33 116.94 113.77 2ri4 h PHE 41 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2ri4 h PHE 41 Cb 0.13 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 2ri4 h PHE 41 CO 0.00 0.07 -0.15 1.19 -1.61 0.00 0.00 178.31 177.81 2ri4 n PHE 42 N -2.95 0.28 0.29 -0.55 3.72 0.51 -4.70 117.46 114.05 2ri4 n PHE 42 Ca 0.02 -1.20 0.16 0.00 -0.05 0.00 0.00 57.45 56.37 2ri4 n PHE 42 Cb 0.57 -0.25 0.88 0.00 -0.94 0.00 0.00 39.48 39.74 2ri4 n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2ri4 h GLU 43 N 0.67 0.00 -0.02 -1.08 4.81 -1.18 -1.35 114.58 116.43 2ri4 h GLU 43 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2ri4 h GLU 43 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2ri4 h GLU 43 CO 0.08 0.05 0.00 -2.39 -0.73 0.00 0.00 179.01 176.03 2ri4 n HIS 44 N -3.50 0.01 1.20 0.92 1.44 -1.26 -3.27 115.22 110.76 2ri4 n HIS 44 Ca -0.02 -0.01 0.13 0.00 -2.01 0.00 0.00 57.72 55.81 2ri4 n HIS 44 Cb 0.17 0.00 0.64 0.00 0.12 0.00 0.00 29.99 30.93 2ri4 n HIS 44 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 2ri4 n PHE 45 N -0.26 0.00 0.00 -1.40 3.01 -0.51 -5.03 117.46 113.28 2ri4 n PHE 45 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 2ri4 n PHE 45 Cb 0.26 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 2ri4 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ri4 n GLY 46 N 0.92 0.96 3.56 1.37 0.00 -1.20 -4.79 105.19 106.00 2ri4 n GLY 46 Ca 0.12 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 2ri4 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ri4 s ASP 47 N -4.00 5.91 -0.34 1.61 2.15 -1.26 -4.78 116.67 115.96 2ri4 s ASP 47 Ca 0.00 -0.66 0.07 0.00 0.43 0.00 0.00 52.55 52.38 2ri4 s ASP 47 Cb 0.00 -2.56 0.49 0.00 -0.30 0.00 0.00 42.92 40.55 2ri4 s ASP 47 CO 0.00 -2.01 1.47 0.18 -0.17 0.00 0.00 175.17 174.65 2ri4 n LEU 48 N 10.72 4.83 -0.02 -1.34 4.77 -1.26 -3.85 117.00 130.84 2ri4 n LEU 48 Ca 0.23 -4.12 0.14 0.00 -0.03 0.00 0.00 56.01 52.23 2ri4 n LEU 48 Cb 0.50 -0.61 0.58 0.00 -2.33 0.00 0.00 43.42 41.56 2ri4 n LEU 48 CO 0.67 1.53 0.86 -1.54 -1.33 0.00 0.00 177.39 177.58 2ri4 n SER 49 N -0.99 0.18 -3.74 -1.43 3.41 -1.26 -4.80 113.62 104.98 2ri4 n SER 49 Ca 0.40 0.05 0.03 0.00 -0.26 0.00 0.00 58.87 59.09 2ri4 n SER 49 Cb 0.97 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.68 2ri4 n SER 49 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ri4 n SER 50 N -1.36 -1.15 -0.11 4.04 3.41 -1.26 -5.02 113.62 112.17 2ri4 n SER 50 Ca 0.09 -1.24 -0.10 0.00 -0.26 0.00 0.00 58.87 57.37 2ri4 n SER 50 Cb 0.31 1.79 -0.02 0.00 -0.26 0.00 0.00 64.21 66.02 2ri4 n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ri4 h ALA 51 N 2.00 0.43 -0.22 7.33 0.00 -1.99 0.20 119.26 127.01 2ri4 h ALA 51 Ca -0.20 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 2ri4 h ALA 51 Cb 1.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ri4 h ALA 51 CO 0.30 0.10 -0.33 -0.44 0.00 0.00 0.00 179.25 178.89 2ri4 h ASP 52 N 0.37 0.46 -0.28 0.00 3.32 -1.97 0.20 116.42 118.52 2ri4 h ASP 52 Ca 0.10 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2ri4 h ASP 52 Cb 0.31 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2ri4 h ASP 52 CO 0.00 0.76 0.13 0.00 -1.72 0.00 0.00 179.24 178.41 2ri4 h ALA 53 N 1.27 0.36 -0.81 3.45 0.00 -1.67 0.15 119.26 122.00 2ri4 h ALA 53 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ri4 h ALA 53 Cb 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ri4 h ALA 53 CO 0.06 -0.07 0.00 0.28 0.00 0.00 0.00 179.25 179.52 2ri4 n VAL 54 N -4.79 0.00 -0.47 0.00 0.31 -0.02 -0.95 118.33 112.42 2ri4 n VAL 54 Ca -0.02 1.37 0.42 0.00 -0.01 0.00 0.00 64.34 66.09 2ri4 n VAL 54 Cb 0.11 -2.33 0.70 0.00 -0.91 0.00 0.00 33.84 31.41 2ri4 n VAL 54 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2ri4 h MET 55 N 0.00 0.00 -0.25 5.55 2.07 -0.88 0.18 114.93 121.60 2ri4 h MET 55 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2ri4 h MET 55 Cb 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 2ri4 h MET 55 CO 0.00 0.00 0.00 0.09 1.07 0.00 0.00 176.91 178.07 2ri4 n ASN 56 N -3.75 2.80 -4.61 1.22 3.02 0.51 -4.91 115.26 109.53 2ri4 n ASN 56 Ca 0.34 -2.13 -0.43 0.00 -0.03 0.00 0.00 54.58 52.33 2ri4 n ASN 56 Cb 1.71 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 40.63 2ri4 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ri4 s ASN 57 N -1.15 6.75 0.49 6.41 3.84 0.64 -4.96 114.94 126.96 2ri4 s ASN 57 Ca 0.20 0.69 0.26 0.00 0.21 0.00 0.00 52.86 54.23 2ri4 s ASN 57 Cb 0.12 -2.52 1.33 0.00 -0.55 0.00 0.00 41.25 39.63 2ri4 s ASN 57 CO 0.11 -0.99 1.87 0.00 -2.79 0.00 0.00 177.10 175.30 2ri4 h ALA 58 N 8.58 2.60 0.04 1.71 0.00 -1.89 -0.50 119.26 129.80 2ri4 h ALA 58 Ca -0.22 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.44 2ri4 h ALA 58 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ri4 h ALA 58 CO 1.04 -0.87 -1.04 0.87 0.00 0.00 0.00 179.25 179.25 2ri4 h LYS 59 N 0.16 0.38 -0.92 0.00 6.56 -1.93 0.52 116.57 121.34 2ri4 h LYS 59 Ca 0.45 -0.47 0.24 0.00 -1.06 0.00 0.00 60.65 59.81 2ri4 h LYS 59 Cb 1.53 0.15 -0.13 0.00 -0.57 0.00 0.00 32.23 33.20 2ri4 h LYS 59 CO -0.08 1.15 0.42 0.28 -2.06 0.00 0.00 179.45 179.15 2ri4 h VAL 60 N 0.19 0.45 0.06 0.50 2.07 -1.44 0.47 116.25 118.55 2ri4 h VAL 60 Ca -0.10 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2ri4 h VAL 60 Cb 1.70 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2ri4 h VAL 60 CO 0.18 0.07 -0.03 0.50 0.02 0.00 0.00 177.57 178.31 2ri4 h LYS 61 N 0.39 -0.08 -0.08 1.57 1.63 -0.85 -0.95 116.57 118.21 2ri4 h LYS 61 Ca 0.59 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 60.26 2ri4 h LYS 61 Cb 1.15 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2ri4 h LYS 61 CO -0.54 0.16 -0.45 0.00 -3.45 0.00 0.00 179.45 175.16 2ri4 h ALA 62 N 0.62 0.16 -0.64 5.00 0.00 0.03 -2.59 119.26 121.84 2ri4 h ALA 62 Ca -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.47 2ri4 h ALA 62 Cb 0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2ri4 h ALA 62 CO 0.01 0.31 0.35 1.25 0.00 0.00 0.00 179.25 181.18 2ri4 h HIS 63 N -0.01 0.65 -0.38 0.00 -0.00 -0.18 -1.91 115.15 113.33 2ri4 h HIS 63 Ca -0.03 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.40 2ri4 h HIS 63 Cb 1.11 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 28.26 2ri4 h HIS 63 CO 0.12 0.31 -0.37 0.78 -0.00 0.00 0.00 177.93 178.78 2ri4 h GLY 64 N 0.66 -1.39 -0.18 5.26 0.00 -0.99 -0.52 103.07 105.91 2ri4 h GLY 64 Ca 0.29 0.81 0.02 0.00 0.00 0.00 0.00 47.33 48.45 2ri4 h GLY 64 CO -0.18 -0.34 -0.11 0.28 0.00 0.00 0.00 176.54 176.20 2ri4 n LYS 65 N -4.44 -0.08 0.19 4.80 4.76 -0.99 -0.86 118.16 121.54 2ri4 n LYS 65 Ca -0.01 0.84 0.05 0.00 -2.87 0.00 0.00 58.31 56.32 2ri4 n LYS 65 Cb 0.21 -1.25 0.50 0.00 -1.84 0.00 0.00 35.03 32.65 2ri4 n LYS 65 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2ri4 h LYS 66 N 0.00 0.09 0.07 1.97 1.57 -0.48 1.09 116.57 120.88 2ri4 h LYS 66 Ca 0.03 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 2ri4 h LYS 66 Cb 0.08 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.39 2ri4 h LYS 66 CO -0.17 0.20 -0.99 0.28 -0.57 0.00 0.00 179.45 178.19 2ri4 h VAL 67 N 0.09 1.35 0.00 0.50 2.07 -0.97 0.87 116.25 120.15 2ri4 h VAL 67 Ca 0.02 -2.33 -0.04 0.00 0.82 0.00 0.00 66.70 65.17 2ri4 h VAL 67 Cb 0.24 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 2ri4 h VAL 67 CO 0.01 0.70 -0.17 -0.07 0.02 0.00 0.00 177.57 178.06 2ri4 h LEU 68 N 0.12 0.00 0.18 2.57 -0.00 0.11 0.61 115.31 118.90 2ri4 h LEU 68 Ca -0.14 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.49 2ri4 h LEU 68 Cb 1.69 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 42.38 2ri4 h LEU 68 CO 0.19 0.17 -1.09 -0.78 -0.00 0.00 0.00 178.44 176.94 2ri4 h ASP 69 N 0.00 0.60 -0.79 -0.43 1.82 0.11 -2.60 116.42 115.12 2ri4 h ASP 69 Ca -0.00 -0.94 0.23 0.00 -0.39 0.00 0.00 57.03 55.93 2ri4 h ASP 69 Cb 0.84 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.63 2ri4 h ASP 69 CO 0.02 1.52 0.66 -1.28 -1.61 0.00 0.00 179.24 178.55 2ri4 h SER 70 N -0.19 0.00 1.03 2.28 0.87 -0.48 0.45 113.55 117.52 2ri4 h SER 70 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2ri4 h SER 70 Cb 1.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2ri4 h SER 70 CO 0.19 0.00 -0.10 0.33 -0.53 0.00 0.00 176.83 176.72 2ri4 n PHE 71 N -3.98 0.24 -0.07 2.24 -0.00 0.21 -3.51 117.46 112.59 2ri4 n PHE 71 Ca 0.16 0.07 -0.11 0.00 -0.00 0.00 0.00 57.45 57.57 2ri4 n PHE 71 Cb 0.94 -0.57 -0.07 0.00 -0.00 0.00 0.00 39.48 39.77 2ri4 n PHE 71 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 2ri4 h SER 72 N 0.00 0.00 -1.10 -2.13 0.02 0.25 -3.32 113.55 107.27 2ri4 h SER 72 Ca 0.00 -0.47 0.39 0.00 -0.84 0.00 0.00 61.79 60.87 2ri4 h SER 72 Cb 0.57 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.95 2ri4 h SER 72 CO 0.00 0.94 0.65 -1.13 -1.14 0.00 0.00 176.83 176.15 2ri4 h ASN 73 N -1.00 0.36 -0.02 3.07 -0.73 -1.47 1.28 115.58 117.07 2ri4 h ASN 73 Ca -0.08 0.20 -0.06 0.00 1.87 0.00 0.00 56.30 58.23 2ri4 h ASN 73 Cb 0.73 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.49 2ri4 h ASN 73 CO -0.05 -0.25 -0.14 1.23 -0.37 0.00 0.00 177.43 177.85 2ri4 h GLY 74 N 0.14 0.34 2.00 1.57 0.00 -1.72 -2.12 103.07 103.29 2ri4 h GLY 74 Ca 0.80 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.88 2ri4 h GLY 74 CO -0.60 0.21 -0.12 1.98 0.00 0.00 0.00 176.54 178.00 2ri4 h MET 75 N 0.30 0.00 0.15 4.80 1.85 0.15 -2.69 114.93 119.49 2ri4 h MET 75 Ca 0.06 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 2ri4 h MET 75 Cb 0.43 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.46 2ri4 h MET 75 CO 0.03 0.12 -0.07 0.87 -0.40 0.00 0.00 176.91 177.46 2ri4 h LYS 76 N 0.00 -0.19 -2.66 0.39 1.57 -1.04 -3.40 116.57 111.25 2ri4 h LYS 76 Ca -0.00 0.01 -0.79 0.00 -1.87 0.00 0.00 60.65 58.01 2ri4 h LYS 76 Cb 0.32 0.04 -0.22 0.00 0.08 0.00 0.00 32.23 32.45 2ri4 h LYS 76 CO 0.02 -0.13 1.44 0.72 -0.57 0.00 0.00 179.45 180.93 2ri4 n HIS 77 N -3.14 2.61 0.34 -1.35 8.25 -0.94 -4.77 115.22 116.23 2ri4 n HIS 77 Ca -0.02 -2.65 0.02 0.00 -0.26 0.00 0.00 57.72 54.80 2ri4 n HIS 77 Cb 0.08 -1.46 0.12 0.00 1.12 0.00 0.00 29.99 29.84 2ri4 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ri4 n LEU 78 N 1.20 0.00 -0.07 2.41 4.77 -1.04 -2.08 117.00 122.19 2ri4 n LEU 78 Ca 0.45 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.28 2ri4 n LEU 78 Cb 0.29 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2ri4 n LEU 78 CO 0.65 0.00 -1.00 -0.67 -1.33 0.00 0.00 177.39 175.04 2ri4 n ASP 79 N -0.86 1.50 -2.97 -1.43 -0.08 -1.26 -4.61 116.55 106.84 2ri4 n ASP 79 Ca 0.03 0.12 -0.39 0.00 -1.51 0.00 0.00 54.79 53.04 2ri4 n ASP 79 Cb 0.01 -0.38 0.03 0.00 2.34 0.00 0.00 41.12 43.12 2ri4 n ASP 79 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ri4 n ASP 80 N -3.48 7.41 0.21 1.67 2.03 -1.13 -4.51 116.55 118.75 2ri4 n ASP 80 Ca -0.28 -3.74 0.13 0.00 0.52 0.00 0.00 54.79 51.41 2ri4 n ASP 80 Cb 0.72 -1.10 0.67 0.00 -0.72 0.00 0.00 41.12 40.69 2ri4 n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ri4 h LEU 81 N 3.29 0.00 0.40 -2.67 3.38 -1.67 0.15 115.31 118.18 2ri4 h LEU 81 Ca 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 2ri4 h LEU 81 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2ri4 h LEU 81 CO 1.35 0.00 -0.19 0.11 0.09 0.00 0.00 178.44 179.80 2ri4 h LYS 82 N 0.00 -0.51 0.36 1.13 1.57 -1.88 -2.85 116.57 114.38 2ri4 h LYS 82 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ri4 h LYS 82 Cb 0.17 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2ri4 h LYS 82 CO 0.00 -0.21 -0.36 0.78 -0.57 0.00 0.00 179.45 179.09 2ri4 h GLY 83 N -0.99 -0.84 -0.41 3.86 0.00 -1.47 0.18 103.07 103.41 2ri4 h GLY 83 Ca -0.05 0.42 0.14 0.00 0.00 0.00 0.00 47.33 47.83 2ri4 h GLY 83 CO 0.09 -0.30 -0.18 -0.91 0.00 0.00 0.00 176.54 175.24 2ri4 h THR 84 N -0.74 0.30 -0.65 4.70 1.35 -1.19 -2.01 112.91 114.66 2ri4 h THR 84 Ca -0.02 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.51 2ri4 h THR 84 Cb 0.67 0.30 -0.19 0.00 -1.73 0.00 0.00 68.15 67.20 2ri4 h THR 84 CO -0.07 0.00 0.26 0.49 -0.25 0.00 0.00 175.52 175.95 2ri4 n PHE 85 N -5.47 2.02 -0.03 4.73 3.72 -0.95 -4.23 117.46 117.25 2ri4 n PHE 85 Ca 0.09 -1.67 -0.13 0.00 -0.05 0.00 0.00 57.45 55.69 2ri4 n PHE 85 Cb 0.36 -0.70 -0.10 0.00 -0.94 0.00 0.00 39.48 38.11 2ri4 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ri4 h ALA 86 N 1.12 0.06 -0.10 4.37 0.00 0.14 -2.56 119.26 122.28 2ri4 h ALA 86 Ca 0.40 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ri4 h ALA 86 Cb 2.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 2ri4 h ALA 86 CO 0.72 -0.12 -0.14 0.37 0.00 0.00 0.00 179.25 180.08 2ri4 h GLN 87 N -0.41 0.16 0.00 0.00 5.75 -1.76 -2.09 115.11 116.77 2ri4 h GLN 87 Ca 0.00 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 2ri4 h GLN 87 Cb 0.62 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2ri4 h GLN 87 CO 0.01 0.31 -1.42 1.28 -2.65 0.00 0.00 178.83 176.36 2ri4 n LEU 88 N -4.30 0.65 0.28 -2.39 4.77 -1.25 -3.07 117.00 111.70 2ri4 n LEU 88 Ca -0.01 0.27 0.16 0.00 -0.03 0.00 0.00 56.01 56.39 2ri4 n LEU 88 Cb 0.25 0.04 0.82 0.00 -2.33 0.00 0.00 43.42 42.20 2ri4 n LEU 88 CO 0.37 0.01 1.02 -1.28 -1.33 0.00 0.00 177.39 176.19 2ri4 h SER 89 N 0.00 0.00 0.56 -1.43 0.87 -1.22 -1.57 113.55 110.76 2ri4 h SER 89 Ca -0.10 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2ri4 h SER 89 Cb 1.30 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2ri4 h SER 89 CO 0.02 0.07 -0.27 -0.08 -0.53 0.00 0.00 176.83 176.04 2ri4 h GLU 90 N 0.00 -0.73 0.07 2.24 4.81 -1.31 -2.22 114.58 117.45 2ri4 h GLU 90 Ca -0.00 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2ri4 h GLU 90 Cb 0.31 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 2ri4 h GLU 90 CO 0.01 -0.44 -0.31 1.25 -0.73 0.00 0.00 179.01 178.79 2ri4 h LEU 91 N -1.12 -0.90 0.13 1.64 5.85 -1.54 -2.87 115.31 116.50 2ri4 h LEU 91 Ca -0.08 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2ri4 h LEU 91 Cb 0.63 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2ri4 h LEU 91 CO 0.13 -0.39 -0.06 0.45 -0.34 0.00 0.00 178.44 178.23 2ri4 h HIS 92 N -0.50 -0.16 0.08 1.25 3.86 -1.30 0.48 115.15 118.86 2ri4 h HIS 92 Ca 0.04 -0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.96 2ri4 h HIS 92 Cb 0.55 0.05 0.02 0.00 1.06 0.00 0.00 27.41 29.10 2ri4 h HIS 92 CO -0.30 0.08 -1.17 0.00 0.86 0.00 0.00 177.93 177.40 2ri4 n ASP 94 N -3.80 1.98 -0.02 0.00 9.92 -1.08 -2.52 116.55 121.03 2ri4 n ASP 94 Ca -0.12 0.20 -0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2ri4 n ASP 94 Cb 0.95 -0.75 -0.12 0.00 -0.64 0.00 0.00 41.12 40.56 2ri4 n ASP 94 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2ri4 n LYS 95 N -3.86 0.64 -0.01 -1.24 5.02 -1.03 -4.49 118.16 113.20 2ri4 n LYS 95 Ca -0.43 0.16 0.06 0.00 -2.02 0.00 0.00 58.31 56.08 2ri4 n LYS 95 Cb 0.91 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 34.10 2ri4 n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2ri4 n LEU 96 N -2.85 0.00 0.00 -0.35 4.77 0.13 -5.00 117.00 113.70 2ri4 n LEU 96 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2ri4 n LEU 96 Cb 0.95 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 2ri4 n LEU 96 CO 0.44 0.01 0.00 1.41 -1.33 0.00 0.00 177.39 177.92 2ri4 n HIS 97 N -1.99 0.00 -0.85 -1.77 8.25 0.14 -4.88 115.22 114.11 2ri4 n HIS 97 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 2ri4 n HIS 97 Cb 0.38 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 2ri4 n HIS 97 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2ri4 n VAL 98 N -1.35 0.00 -2.84 1.59 0.31 -0.94 -4.82 118.33 110.28 2ri4 n VAL 98 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2ri4 n VAL 98 Cb 0.00 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.55 2ri4 n VAL 98 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2ri4 s ASP 99 N 3.47 7.38 0.00 4.52 1.47 -1.26 -4.42 116.67 127.83 2ri4 s ASP 99 Ca 0.74 1.78 -0.03 0.00 1.18 0.00 0.00 52.55 56.23 2ri4 s ASP 99 Cb -0.95 -2.56 -0.13 0.00 -0.34 0.00 0.00 42.92 38.94 2ri4 s ASP 99 CO 0.44 0.03 2.55 -0.81 0.68 0.00 0.00 175.17 178.05 2ri4 n PRO 100 N 0.91 1.34 -0.06 2.11 -0.04 -1.26 -2.58 135.00 135.42 2ri4 n PRO 100 Ca -0.00 -0.48 -0.22 0.00 -0.04 0.00 0.00 63.50 62.76 2ri4 n PRO 100 Cb 0.49 -1.55 -0.13 0.00 -0.04 0.00 0.00 33.50 32.28 2ri4 n PRO 100 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ri4 n GLU 101 N 2.12 0.68 0.33 0.54 4.07 -1.26 -4.51 120.64 122.61 2ri4 n GLU 101 Ca 0.21 0.29 0.17 0.00 -0.06 0.00 0.00 57.16 57.77 2ri4 n GLU 101 Cb 0.63 -1.65 0.92 0.00 -0.06 0.00 0.00 31.44 31.28 2ri4 n GLU 101 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2ri4 h ASN 102 N -0.25 0.00 0.13 4.31 2.35 -1.89 -1.69 115.58 118.55 2ri4 h ASN 102 Ca -0.48 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 2ri4 h ASN 102 Cb 1.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.20 2ri4 h ASN 102 CO -0.06 0.00 -0.06 -0.26 -1.65 0.00 0.00 177.43 175.40 2ri4 h PHE 103 N 0.00 -0.16 -0.62 1.19 0.04 -1.79 -2.84 116.94 112.76 2ri4 h PHE 103 Ca 0.01 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2ri4 h PHE 103 Cb 0.50 0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.63 2ri4 h PHE 103 CO 0.00 0.29 -0.39 0.87 -0.60 0.00 0.00 178.31 178.48 2ri4 h LYS 104 N -0.91 -0.02 -0.20 1.51 1.57 -1.56 1.11 116.57 118.06 2ri4 h LYS 104 Ca -0.02 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2ri4 h LYS 104 Cb 0.52 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2ri4 h LYS 104 CO 0.03 -0.02 -0.10 1.28 -0.57 0.00 0.00 179.45 180.07 2ri4 n LEU 105 N -4.48 -0.18 0.07 2.94 7.99 -1.11 0.33 117.00 122.55 2ri4 n LEU 105 Ca 0.01 0.36 -0.10 0.00 -0.01 0.00 0.00 56.01 56.27 2ri4 n LEU 105 Cb 0.18 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 2ri4 n LEU 105 CO -0.09 -0.30 0.29 0.25 -1.51 0.00 0.00 177.39 176.02 2ri4 h LEU 106 N 0.00 0.42 -0.75 2.23 5.85 0.14 0.78 115.31 123.98 2ri4 h LEU 106 Ca 0.05 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.54 2ri4 h LEU 106 Cb 0.10 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 2ri4 h LEU 106 CO -0.20 1.07 0.41 1.23 -0.34 0.00 0.00 178.44 180.62 2ri4 h GLY 107 N 1.43 1.13 0.48 3.75 0.00 0.20 -1.55 103.07 108.51 2ri4 h GLY 107 Ca -0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2ri4 h GLY 107 CO 0.14 0.13 -0.05 3.43 0.00 0.00 0.00 176.54 180.18 2ri4 h ASN 108 N 0.72 -0.12 -0.88 0.19 -0.26 0.16 -2.96 115.58 112.43 2ri4 h ASN 108 Ca 0.35 -0.41 0.25 0.00 -0.56 0.00 0.00 56.30 55.93 2ri4 h ASN 108 Cb 0.30 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.54 2ri4 h ASN 108 CO -0.23 0.38 0.62 0.58 -1.06 0.00 0.00 177.43 177.73 2ri4 h VAL 109 N -0.66 0.58 -0.02 2.81 2.07 -0.85 0.59 116.25 120.76 2ri4 h VAL 109 Ca -0.01 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 2ri4 h VAL 109 Cb 0.52 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2ri4 h VAL 109 CO 0.02 0.01 -0.34 0.25 0.02 0.00 0.00 177.57 177.54 2ri4 h LEU 110 N 0.08 0.04 0.06 2.57 6.46 -1.14 -1.35 115.31 122.02 2ri4 h LEU 110 Ca 0.43 -0.01 -0.32 0.00 -0.12 0.00 0.00 57.88 57.85 2ri4 h LEU 110 Cb 1.58 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.47 2ri4 h LEU 110 CO -0.04 0.38 -1.82 0.52 -0.62 0.00 0.00 178.44 176.86 2ri4 n VAL 111 N -4.13 1.69 -0.02 1.05 0.31 0.18 -2.01 118.33 115.41 2ri4 n VAL 111 Ca -0.02 -0.74 -0.09 0.00 -0.01 0.00 0.00 64.34 63.49 2ri4 n VAL 111 Cb 0.39 -1.35 -0.02 0.00 -0.91 0.00 0.00 33.84 31.95 2ri4 n VAL 111 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2ri4 h VAL 112 N 0.03 0.45 -0.44 2.52 2.07 -0.91 -2.89 116.25 117.07 2ri4 h VAL 112 Ca -0.34 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.26 2ri4 h VAL 112 Cb 2.02 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 2ri4 h VAL 112 CO 0.09 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.25 2ri4 h VAL 113 N -0.25 0.65 -0.60 2.57 2.07 -1.15 -2.88 116.25 116.66 2ri4 h VAL 113 Ca 0.12 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.72 2ri4 h VAL 113 Cb 0.43 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 2ri4 h VAL 113 CO -0.33 0.02 0.12 -0.07 0.02 0.00 0.00 177.57 177.33 2ri4 h LEU 114 N 0.10 -0.01 -2.29 2.57 3.38 -1.22 0.54 115.31 118.39 2ri4 h LEU 114 Ca 0.22 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 2ri4 h LEU 114 Cb 0.32 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2ri4 h LEU 114 CO -0.37 0.01 -0.02 0.00 0.09 0.00 0.00 178.44 178.15 2ri4 h ALA 115 N 1.48 1.05 -0.12 1.53 0.00 -1.33 -2.25 119.26 119.61 2ri4 h ALA 115 Ca 0.31 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 2ri4 h ALA 115 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ri4 h ALA 115 CO -0.40 0.02 -0.34 -0.09 0.00 0.00 0.00 179.25 178.44 2ri4 h ARG 116 N 0.00 0.44 0.00 0.00 2.43 0.27 -2.84 114.38 114.69 2ri4 h ARG 116 Ca -0.00 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2ri4 h ARG 116 Cb 0.23 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2ri4 h ARG 116 CO 0.00 0.93 -0.15 0.45 -1.51 0.00 0.00 179.97 179.70 2ri4 h HIS 117 N 0.03 0.00 0.00 2.20 3.86 -1.22 -3.36 115.15 116.65 2ri4 h HIS 117 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2ri4 h HIS 117 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 2ri4 h HIS 117 CO 0.11 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.62 2ri4 n HIS 118 N -2.93 0.00 0.00 2.45 8.25 -0.86 -5.08 115.22 117.05 2ri4 n HIS 118 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2ri4 n HIS 118 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2ri4 n HIS 118 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ri4 n GLY 119 N 0.85 3.30 0.17 -1.41 0.00 -1.07 -2.62 105.19 104.42 2ri4 n GLY 119 Ca 0.00 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2ri4 n GLY 119 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ri4 h SER 120 N 0.00 0.00 0.53 1.61 4.64 -1.98 -2.08 113.55 116.27 2ri4 h SER 120 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2ri4 h SER 120 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ri4 h SER 120 CO 0.00 0.00 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.53 2ri4 h GLU 121 N 0.00 0.00 -3.64 4.77 5.08 -1.92 -3.34 114.58 115.53 2ri4 h GLU 121 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 2ri4 h GLU 121 Cb 0.60 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 2ri4 h GLU 121 CO 0.00 0.10 3.18 0.34 -1.00 0.00 0.00 179.01 181.64 2ri4 n PHE 122 N -3.44 3.16 -1.56 4.33 7.35 -0.78 -4.95 117.46 121.55 2ri4 n PHE 122 Ca -0.01 -2.98 -0.43 0.00 -0.76 0.00 0.00 57.45 53.27 2ri4 n PHE 122 Cb 0.26 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.64 2ri4 n PHE 122 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2ri4 n THR 123 N 4.40 2.15 -0.34 -2.13 -2.24 -1.25 -4.54 114.28 110.33 2ri4 n THR 123 Ca 0.58 -0.50 0.32 0.00 -2.27 0.00 0.00 64.05 62.18 2ri4 n THR 123 Cb 0.34 -0.94 0.56 0.00 -2.10 0.00 0.00 70.33 68.20 2ri4 n THR 123 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2ri4 n PRO 124 N 0.44 -0.05 0.08 -0.78 -0.02 -1.26 0.13 135.00 133.54 2ri4 n PRO 124 Ca 0.10 1.22 0.13 0.00 -2.02 0.00 0.00 63.50 62.94 2ri4 n PRO 124 Cb 0.37 -2.26 0.46 0.00 -0.02 0.00 0.00 33.50 32.04 2ri4 n PRO 124 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2ri4 n LEU 125 N -4.90 0.61 0.04 2.45 -0.00 -1.26 -3.52 117.00 110.42 2ri4 n LEU 125 Ca 0.35 0.56 0.11 0.00 -0.00 0.00 0.00 56.01 57.04 2ri4 n LEU 125 Cb 1.26 -0.37 -0.09 0.00 -0.00 0.00 0.00 43.42 44.22 2ri4 n LEU 125 CO 0.06 -0.15 -0.40 -0.11 -0.00 0.00 0.00 177.39 176.80 2ri4 n LEU 126 N -2.08 0.38 -0.01 -1.96 7.94 0.35 -3.72 117.00 117.91 2ri4 n LEU 126 Ca 0.06 0.11 -0.09 0.00 -1.11 0.00 0.00 56.01 54.98 2ri4 n LEU 126 Cb 0.40 -0.03 -0.03 0.00 0.53 0.00 0.00 43.42 44.29 2ri4 n LEU 126 CO 0.29 -0.06 0.71 1.56 -1.11 0.00 0.00 177.39 178.78 2ri4 h GLN 127 N 0.00 -0.27 0.20 1.96 4.20 -1.21 -2.92 115.11 117.07 2ri4 h GLN 127 Ca 0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2ri4 h GLN 127 Cb 0.97 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2ri4 h GLN 127 CO 0.00 -0.18 -0.10 0.00 -0.67 0.00 0.00 178.83 177.88 2ri4 h ALA 128 N 0.70 -0.27 -0.67 3.87 0.00 -1.66 1.60 119.26 122.84 2ri4 h ALA 128 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ri4 h ALA 128 Cb 0.44 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ri4 h ALA 128 CO -0.31 -0.44 0.00 0.39 0.00 0.00 0.00 179.25 178.89 2ri4 n GLU 129 N -5.03 0.00 0.20 0.00 -0.58 -1.24 -0.30 120.64 113.68 2ri4 n GLU 129 Ca -0.09 0.01 0.15 0.00 -0.42 0.00 0.00 57.16 56.82 2ri4 n GLU 129 Cb 0.25 -0.12 0.58 0.00 -0.57 0.00 0.00 31.44 31.58 2ri4 n GLU 129 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2ri4 h PHE 130 N 0.00 0.00 -0.31 -0.32 0.04 -0.70 0.86 116.94 116.51 2ri4 h PHE 130 Ca 0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2ri4 h PHE 130 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2ri4 h PHE 130 CO 0.00 0.00 -0.27 1.96 -0.60 0.00 0.00 178.31 179.40 2ri4 h GLN 131 N 0.00 0.64 0.20 1.51 1.08 0.45 -0.08 115.11 118.91 2ri4 h GLN 131 Ca 0.12 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 2ri4 h GLN 131 Cb 1.35 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 2ri4 h GLN 131 CO -0.00 0.85 -0.10 0.87 -0.95 0.00 0.00 178.83 179.50 2ri4 h LYS 132 N 0.55 -0.26 -0.24 1.46 1.57 0.38 -1.51 116.57 118.52 2ri4 h LYS 132 Ca 0.07 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2ri4 h LYS 132 Cb 0.76 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2ri4 h LYS 132 CO 0.06 0.07 -0.02 0.28 -0.57 0.00 0.00 179.45 179.27 2ri4 h VAL 133 N -0.62 0.80 0.00 0.50 2.07 -1.39 0.66 116.25 118.28 2ri4 h VAL 133 Ca -0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2ri4 h VAL 133 Cb 0.45 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2ri4 h VAL 133 CO 0.05 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.97 2ri4 n VAL 134 N -5.17 1.22 -0.03 2.57 0.24 -0.05 -0.92 118.33 116.19 2ri4 n VAL 134 Ca -0.01 0.36 -0.18 0.00 -2.04 0.00 0.00 64.34 62.47 2ri4 n VAL 134 Cb 0.13 -1.24 -0.13 0.00 -1.47 0.00 0.00 33.84 31.13 2ri4 n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ri4 h ALA 135 N 2.28 0.02 -0.43 2.33 0.00 0.13 -3.08 119.26 120.52 2ri4 h ALA 135 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 2ri4 h ALA 135 Cb 0.18 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2ri4 h ALA 135 CO 0.00 0.29 -0.17 0.78 0.00 0.00 0.00 179.25 180.14 2ri4 h GLY 136 N -0.68 0.89 1.77 0.00 0.00 0.01 -1.69 103.07 103.36 2ri4 h GLY 136 Ca -0.12 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.34 2ri4 h GLY 136 CO 0.03 0.67 -0.61 -2.08 0.00 0.00 0.00 176.54 174.55 2ri4 h VAL 137 N 0.73 1.39 -0.30 4.60 2.07 -1.18 1.79 116.25 125.34 2ri4 h VAL 137 Ca 0.11 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 2ri4 h VAL 137 Cb 0.69 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 2ri4 h VAL 137 CO 0.05 0.59 0.11 0.00 0.02 0.00 0.00 177.57 178.33 2ri4 h ALA 138 N 1.19 1.63 0.12 1.67 0.00 -1.30 -3.07 119.26 119.49 2ri4 h ALA 138 Ca -0.01 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 2ri4 h ALA 138 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2ri4 h ALA 138 CO 0.09 0.29 -1.88 -0.91 0.00 0.00 0.00 179.25 176.85 2ri4 h ASN 139 N 0.42 0.40 0.00 0.00 4.21 0.22 -2.96 115.58 117.88 2ri4 h ASN 139 Ca 0.10 -0.81 0.00 0.00 1.21 0.00 0.00 56.30 56.81 2ri4 h ASN 139 Cb 0.11 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 2ri4 h ASN 139 CO -0.01 1.71 0.00 0.00 -1.29 0.00 0.00 177.43 177.84 2ri4 n ALA 140 N -2.89 -0.02 -0.32 -0.83 0.00 0.58 -0.85 120.51 116.18 2ri4 n ALA 140 Ca -0.28 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.44 2ri4 n ALA 140 Cb 1.05 0.34 0.52 0.00 0.00 0.00 0.00 19.45 21.36 2ri4 n ALA 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ri4 n LEU 141 N -1.87 0.24 0.00 0.00 4.77 -1.16 -0.86 117.00 118.12 2ri4 n LEU 141 Ca 0.00 1.65 0.13 0.00 -0.03 0.00 0.00 56.01 57.75 2ri4 n LEU 141 Cb 0.00 -0.76 0.69 0.00 -2.33 0.00 0.00 43.42 41.03 2ri4 n LEU 141 CO 0.00 -1.80 0.94 0.00 -1.33 0.00 0.00 177.39 175.19 2ri4 n ALA 142 N -2.47 2.35 -0.29 -1.18 0.00 -0.03 -4.12 120.51 114.77 2ri4 n ALA 142 Ca 0.34 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.71 2ri4 n ALA 142 Cb 1.16 -1.42 0.16 0.00 0.00 0.00 0.00 19.45 19.35 2ri4 n ALA 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ri4 h HIS 143 N 0.00 -0.20 0.00 0.00 3.86 0.31 -3.50 115.15 115.62 2ri4 h HIS 143 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2ri4 h HIS 143 Cb 0.16 0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.85 2ri4 h HIS 143 CO 0.00 -0.32 0.00 0.54 0.86 0.00 0.00 177.93 179.01