#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgp s THR 16 N 0.00 2.33 -0.41 3.15 -4.23 -1.26 -4.88 115.64 110.34 3mgp s THR 16 Ca 0.00 0.18 0.26 0.00 -1.18 0.00 0.00 61.69 60.96 3mgp s THR 16 Cb 0.00 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.22 3mgp s THR 16 CO 0.00 -0.07 1.78 0.03 -0.54 0.00 0.00 174.62 175.82 3mgp h ARG 17 N 0.23 0.00 0.47 3.99 3.08 -1.98 -1.79 114.38 118.38 3mgp h ARG 17 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 3mgp h ARG 17 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3mgp h ARG 17 CO 0.52 0.00 -0.23 0.77 -1.07 0.00 0.00 179.97 179.96 3mgp h SER 18 N 0.00 -0.54 -0.93 7.04 0.02 -1.86 -2.62 113.55 114.66 3mgp h SER 18 Ca 0.00 0.02 0.18 0.00 -0.84 0.00 0.00 61.79 61.15 3mgp h SER 18 Cb 0.53 0.14 -0.10 0.00 0.14 0.00 0.00 62.40 63.10 3mgp h SER 18 CO 0.00 -0.27 0.51 0.77 -1.14 0.00 0.00 176.83 176.70 3mgp h SER 19 N -0.88 0.62 0.37 3.07 4.64 -1.68 0.56 113.55 120.26 3mgp h SER 19 Ca -0.07 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3mgp h SER 19 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3mgp h SER 19 CO 0.11 0.21 0.00 -0.09 -0.87 0.00 0.00 176.83 176.19 3mgp h ARG 20 N 0.65 0.00 -0.00 4.77 2.43 -1.38 -2.66 114.38 118.19 3mgp h ARG 20 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 3mgp h ARG 20 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3mgp h ARG 20 CO -0.40 0.00 -0.13 0.00 -1.51 0.00 0.00 179.97 177.93 3mgp n ALA 21 N -1.91 2.50 -1.56 2.80 0.00 -0.16 -5.01 120.51 117.18 3mgp n ALA 21 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3mgp n ALA 21 Cb 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3mgp n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgp n GLY 22 N 0.87 0.97 3.17 0.00 0.00 0.01 -5.07 105.19 105.14 3mgp n GLY 22 Ca 0.01 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3mgp n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgp s LEU 23 N -0.53 2.03 0.07 0.99 1.43 -0.55 -5.01 118.68 117.10 3mgp s LEU 23 Ca 0.00 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3mgp s LEU 23 Cb 0.00 -0.93 -0.17 0.00 0.03 0.00 0.00 46.19 45.12 3mgp s LEU 23 CO 0.00 0.22 1.01 1.56 0.23 0.00 0.00 176.35 179.36 3mgp h GLN 24 N 5.73 0.00 -7.12 1.70 1.08 -1.94 -3.36 115.11 111.20 3mgp h GLN 24 Ca -0.37 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.38 3mgp h GLN 24 Cb 1.15 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3mgp h GLN 24 CO 0.48 0.65 0.36 -0.06 -0.95 0.00 0.00 178.83 179.31 3mgp s PHE 25 N -2.73 3.37 -0.44 2.96 0.40 -1.26 -5.01 117.98 115.26 3mgp s PHE 25 Ca -0.01 1.54 -0.23 0.00 -0.60 0.00 0.00 56.93 57.63 3mgp s PHE 25 Cb 0.09 -2.83 0.02 0.00 0.51 0.00 0.00 43.02 40.81 3mgp s PHE 25 CO 0.81 -0.25 0.79 -1.25 0.70 0.00 0.00 175.22 176.02 3mgp s PRO 26 N -3.60 3.44 0.24 0.24 0.04 -1.26 -4.78 135.00 129.31 3mgp s PRO 26 Ca 0.61 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.61 3mgp s PRO 26 Cb -0.10 -3.93 0.28 0.00 0.04 0.00 0.00 34.50 30.79 3mgp s PRO 26 CO 0.22 -1.11 1.60 0.28 0.04 0.00 0.00 177.00 178.04 3mgp h VAL 27 N 5.97 1.33 -0.37 -0.36 2.07 -1.90 -2.57 116.25 120.42 3mgp h VAL 27 Ca -0.25 -1.69 -0.02 0.00 0.82 0.00 0.00 66.70 65.56 3mgp h VAL 27 Cb 1.09 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3mgp h VAL 27 CO 0.96 0.52 0.16 1.23 0.02 0.00 0.00 177.57 180.46 3mgp h GLY 28 N 1.21 0.59 0.96 2.17 0.00 -1.94 -1.34 103.07 104.71 3mgp h GLY 28 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 3mgp h GLY 28 CO 0.08 0.29 0.07 -0.09 0.00 0.00 0.00 176.54 176.89 3mgp h ARG 29 N 0.46 0.73 -0.44 4.80 2.43 -1.97 -2.39 114.38 117.98 3mgp h ARG 29 Ca 0.13 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 3mgp h ARG 29 Cb 0.16 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3mgp h ARG 29 CO -0.01 0.76 -0.17 0.28 -1.51 0.00 0.00 179.97 179.32 3mgp h VAL 30 N 0.59 1.27 -0.74 0.20 2.07 -1.42 0.24 116.25 118.47 3mgp h VAL 30 Ca 0.13 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.41 3mgp h VAL 30 Cb 0.38 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3mgp h VAL 30 CO 0.01 0.44 0.48 -0.74 0.02 0.00 0.00 177.57 177.79 3mgp h HIS 31 N 0.72 0.79 0.22 1.57 -0.00 -1.25 -1.81 115.15 115.39 3mgp h HIS 31 Ca 0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3mgp h HIS 31 Cb 0.72 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.88 3mgp h HIS 31 CO 0.05 0.42 -0.10 -0.09 -0.00 0.00 0.00 177.93 178.21 3mgp h ARG 32 N 0.79 -0.28 -0.11 5.26 2.43 -0.82 -2.93 114.38 118.72 3mgp h ARG 32 Ca 0.32 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 3mgp h ARG 32 Cb 0.23 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3mgp h ARG 32 CO -0.10 0.08 0.15 -0.07 -1.51 0.00 0.00 179.97 178.52 3mgp h LEU 33 N -0.92 0.00 -0.15 3.80 3.38 -0.54 -0.97 115.31 119.91 3mgp h LEU 33 Ca -0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 3mgp h LEU 33 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3mgp h LEU 33 CO 0.05 0.00 -0.98 -0.07 0.09 0.00 0.00 178.44 177.53 3mgp h LEU 34 N 0.00 0.32 0.02 1.67 3.38 -1.30 -2.96 115.31 116.44 3mgp h LEU 34 Ca 0.05 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3mgp h LEU 34 Cb 0.36 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mgp h LEU 34 CO -0.00 1.12 -0.01 0.03 0.09 0.00 0.00 178.44 179.68 3mgp h ARG 35 N 0.12 -0.02 -0.66 1.13 3.08 -1.04 -3.31 114.38 113.67 3mgp h ARG 35 Ca -0.07 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.15 3mgp h ARG 35 Cb 1.64 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.66 3mgp h ARG 35 CO 0.15 0.61 0.46 -0.22 -1.07 0.00 0.00 179.97 179.90 3mgp h LYS 36 N -0.67 0.15 -0.17 0.04 3.64 -1.35 -2.91 116.57 115.30 3mgp h LYS 36 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3mgp h LYS 36 Cb 0.64 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3mgp h LYS 36 CO 0.00 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 177.69 3mgp n GLY 37 N -1.61 0.29 3.62 5.01 0.00 -1.12 -4.97 105.19 106.42 3mgp n GLY 37 Ca 0.13 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 3mgp n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgp n ASN 38 N 0.32 -5.59 -0.09 1.61 5.03 -1.10 -4.92 115.26 110.52 3mgp n ASN 38 Ca 0.16 -0.83 -0.10 0.00 0.87 0.00 0.00 54.58 54.68 3mgp n ASN 38 Cb 0.33 -3.06 -0.16 0.00 -1.02 0.00 0.00 39.78 35.87 3mgp n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3mgp n TYR 39 N -3.24 0.12 -3.87 3.10 4.02 -1.26 -5.03 117.16 111.00 3mgp n TYR 39 Ca -0.15 0.04 -0.09 0.00 -0.01 0.00 0.00 57.90 57.70 3mgp n TYR 39 Cb 0.60 -1.02 -0.01 0.00 -0.02 0.00 0.00 39.34 38.89 3mgp n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mgp s ALA 40 N -2.50 -0.75 0.07 -0.72 0.00 -1.26 -5.07 121.76 111.52 3mgp s ALA 40 Ca -0.11 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 3mgp s ALA 40 Cb 0.06 0.82 -0.11 0.00 0.00 0.00 0.00 23.12 23.89 3mgp s ALA 40 CO 0.82 -0.98 1.38 1.49 0.00 0.00 0.00 175.76 178.47 3mgp h GLU 41 N 2.04 0.55 -6.72 0.00 4.57 -1.99 -3.45 114.58 109.57 3mgp h GLU 41 Ca -0.26 -0.29 -0.69 0.00 -1.18 0.00 0.00 59.36 56.94 3mgp h GLU 41 Cb 1.25 0.01 -0.26 0.00 -0.16 0.00 0.00 28.75 29.60 3mgp h GLU 41 CO 0.33 0.88 -0.88 1.03 -1.18 0.00 0.00 179.01 179.20 3mgp s ARG 42 N -4.31 1.69 -0.29 1.92 0.52 -1.26 -5.12 118.95 112.09 3mgp s ARG 42 Ca -0.13 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.94 3mgp s ARG 42 Cb 0.07 -1.93 0.06 0.00 0.52 0.00 0.00 34.95 33.67 3mgp s ARG 42 CO 0.80 0.49 -0.03 0.08 0.02 0.00 0.00 175.30 176.65 3mgp s VAL 43 N -0.86 2.62 0.70 3.52 1.01 -1.26 -5.09 120.40 121.04 3mgp s VAL 43 Ca 0.12 -1.58 -0.17 0.00 0.00 0.00 0.00 61.98 60.36 3mgp s VAL 43 Cb -0.10 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.73 3mgp s VAL 43 CO 0.03 -0.13 1.25 0.61 0.00 0.00 0.00 175.10 176.86 3mgp n GLY 44 N 4.52 0.35 0.31 4.51 0.00 -1.26 -4.95 105.19 108.66 3mgp n GLY 44 Ca -0.12 -0.25 0.01 0.00 0.00 0.00 0.00 46.02 45.66 3mgp n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mgp h ALA 45 N 0.10 1.49 -0.03 4.61 0.00 -2.04 -3.06 119.26 120.34 3mgp h ALA 45 Ca -0.49 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 3mgp h ALA 45 Cb 1.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3mgp h ALA 45 CO 0.51 0.41 -0.86 0.78 0.00 0.00 0.00 179.25 180.08 3mgp h GLY 46 N 0.79 0.44 -0.52 0.00 0.00 -2.01 -3.38 103.07 98.40 3mgp h GLY 46 Ca 0.17 -0.72 0.13 0.00 0.00 0.00 0.00 47.33 46.92 3mgp h GLY 46 CO -0.02 0.64 -0.26 0.00 0.00 0.00 0.00 176.54 176.89 3mgp h ALA 47 N 0.82 0.27 0.00 3.60 0.00 -1.92 0.20 119.26 122.23 3mgp h ALA 47 Ca -0.06 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3mgp h ALA 47 Cb 1.48 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 3mgp h ALA 47 CO 0.15 -0.53 -0.27 -1.00 0.00 0.00 0.00 179.25 177.60 3mgp h PRO 48 N -0.06 0.00 0.15 0.00 0.13 -1.73 -1.20 132.00 129.29 3mgp h PRO 48 Ca 0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.44 3mgp h PRO 48 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3mgp h PRO 48 CO -0.76 0.27 -0.07 0.28 -0.23 0.00 0.00 178.00 177.49 3mgp h VAL 49 N 0.00 0.98 -0.75 1.56 2.07 -1.23 -1.42 116.25 117.46 3mgp h VAL 49 Ca -0.00 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.70 3mgp h VAL 49 Cb 0.56 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 3mgp h VAL 49 CO 0.04 0.20 0.49 0.22 0.02 0.00 0.00 177.57 178.54 3mgp h TYR 50 N -0.68 0.68 0.16 1.57 -0.00 -0.63 -2.52 116.97 115.56 3mgp h TYR 50 Ca -0.02 0.02 -0.25 0.00 -0.00 0.00 0.00 58.73 58.47 3mgp h TYR 50 Cb 0.49 -0.22 0.03 0.00 -0.00 0.00 0.00 36.73 37.03 3mgp h TYR 50 CO 0.06 0.31 -1.10 1.25 -0.00 0.00 0.00 178.16 178.69 3mgp h LEU 51 N 0.63 0.68 -1.97 2.82 5.85 -1.15 -2.27 115.31 119.90 3mgp h LEU 51 Ca 0.35 -0.90 0.01 0.00 0.84 0.00 0.00 57.88 58.18 3mgp h LEU 51 Cb 0.52 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3mgp h LEU 51 CO -0.13 1.53 0.05 0.00 -0.34 0.00 0.00 178.44 179.55 3mgp h ALA 52 N 0.16 2.01 0.06 1.25 0.00 -1.19 -0.92 119.26 120.63 3mgp h ALA 52 Ca -0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mgp h ALA 52 Cb 1.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3mgp h ALA 52 CO 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 3mgp h ALA 53 N 1.96 -0.08 -0.53 0.00 0.00 -1.38 -1.78 119.26 117.46 3mgp h ALA 53 Ca 0.03 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.77 3mgp h ALA 53 Cb 0.06 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3mgp h ALA 53 CO -0.00 -0.25 0.05 0.28 0.00 0.00 0.00 179.25 179.32 3mgp h VAL 54 N -0.66 0.62 -0.84 0.00 2.07 -1.23 0.24 116.25 116.46 3mgp h VAL 54 Ca -0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3mgp h VAL 54 Cb 0.56 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3mgp h VAL 54 CO 0.01 0.03 0.40 -0.07 0.02 0.00 0.00 177.57 177.97 3mgp h LEU 55 N 0.17 1.11 -0.21 2.57 3.38 -1.18 -0.78 115.31 120.36 3mgp h LEU 55 Ca 0.27 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 3mgp h LEU 55 Cb 0.41 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3mgp h LEU 55 CO -0.41 0.93 -0.41 -0.08 0.09 0.00 0.00 178.44 178.57 3mgp h GLU 56 N 1.21 0.65 -0.41 1.13 4.81 -1.01 -1.77 114.58 119.19 3mgp h GLU 56 Ca 0.29 -0.42 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3mgp h GLU 56 Cb 0.12 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.47 3mgp h GLU 56 CO -0.04 1.03 -0.13 -0.92 -0.73 0.00 0.00 179.01 178.23 3mgp h TYR 57 N 0.35 -0.30 -0.18 0.92 3.20 -0.17 -0.56 116.97 120.23 3mgp h TYR 57 Ca 0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3mgp h TYR 57 Cb 1.00 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 3mgp h TYR 57 CO 0.09 -0.21 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.16 3mgp h LEU 58 N -0.04 0.47 -0.61 2.82 3.38 -1.03 -1.47 115.31 118.83 3mgp h LEU 58 Ca 0.20 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 57.83 3mgp h LEU 58 Cb 0.34 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 3mgp h LEU 58 CO -0.44 0.84 -0.10 0.74 0.09 0.00 0.00 178.44 179.57 3mgp h THR 59 N 0.10 0.42 -0.45 0.22 2.02 -1.31 -1.33 112.91 112.58 3mgp h THR 59 Ca 0.03 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3mgp h THR 59 Cb 0.70 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3mgp h THR 59 CO 0.04 0.01 0.24 0.00 0.37 0.00 0.00 175.52 176.18 3mgp h ALA 60 N 1.59 0.58 -0.49 6.16 0.00 -0.73 0.11 119.26 126.48 3mgp h ALA 60 Ca 0.30 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.20 3mgp h ALA 60 Cb 0.48 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3mgp h ALA 60 CO -0.59 0.12 0.14 1.49 0.00 0.00 0.00 179.25 180.40 3mgp h GLU 61 N 0.60 0.28 -0.02 0.00 4.57 -1.08 -1.04 114.58 117.89 3mgp h GLU 61 Ca 0.16 -0.02 -0.26 0.00 -1.18 0.00 0.00 59.36 58.06 3mgp h GLU 61 Cb 0.07 -0.06 0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3mgp h GLU 61 CO -0.02 0.19 -1.01 0.97 -1.18 0.00 0.00 179.01 177.96 3mgp h ILE 62 N 0.29 1.28 -0.48 2.32 2.10 -0.84 -2.97 117.51 119.21 3mgp h ILE 62 Ca 0.24 -2.21 -0.00 0.00 1.08 0.00 0.00 64.86 63.97 3mgp h ILE 62 Cb 0.29 2.33 -0.02 0.00 -1.09 0.00 0.00 36.82 38.33 3mgp h ILE 62 CO -0.28 0.69 0.28 -0.07 -1.08 0.00 0.00 178.15 177.68 3mgp h LEU 63 N 0.41 0.57 0.56 2.19 3.38 -0.74 -1.60 115.31 120.08 3mgp h LEU 63 Ca -0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3mgp h LEU 63 Cb 1.66 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3mgp h LEU 63 CO 0.20 0.45 -0.45 -0.08 0.09 0.00 0.00 178.44 178.64 3mgp h GLU 64 N 0.66 -0.95 -0.35 1.13 4.57 -1.18 0.02 114.58 118.48 3mgp h GLU 64 Ca 0.17 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3mgp h GLU 64 Cb -0.01 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3mgp h GLU 64 CO -0.03 -0.63 0.17 -0.07 -1.18 0.00 0.00 179.01 177.26 3mgp h LEU 65 N -0.98 0.43 -0.00 1.64 3.38 -1.35 -2.05 115.31 116.37 3mgp h LEU 65 Ca -0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3mgp h LEU 65 Cb 0.82 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3mgp h LEU 65 CO 0.00 0.37 -0.04 0.00 0.09 0.00 0.00 178.44 178.86 3mgp h ALA 66 N 1.70 0.01 -0.84 1.53 0.00 -1.28 -1.75 119.26 118.63 3mgp h ALA 66 Ca 0.12 -0.39 0.21 0.00 0.00 0.00 0.00 54.91 54.85 3mgp h ALA 66 Cb 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 3mgp h ALA 66 CO -0.02 -0.08 0.09 0.78 0.00 0.00 0.00 179.25 180.02 3mgp h GLY 67 N -0.71 1.08 0.91 0.00 0.00 -0.88 0.46 103.07 103.94 3mgp h GLY 67 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3mgp h GLY 67 CO 0.01 -0.35 0.11 3.43 0.00 0.00 0.00 176.54 179.74 3mgp h ASN 68 N 0.13 0.47 -0.69 0.19 2.35 -1.25 -0.66 115.58 116.12 3mgp h ASN 68 Ca 0.49 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 56.06 3mgp h ASN 68 Cb 0.93 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.14 3mgp h ASN 68 CO -0.70 0.54 0.44 0.00 -1.65 0.00 0.00 177.43 176.06 3mgp h ALA 69 N 0.95 0.88 -0.16 -0.83 0.00 -0.58 0.34 119.26 119.87 3mgp h ALA 69 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3mgp h ALA 69 Cb 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3mgp h ALA 69 CO -0.00 0.24 -0.48 0.00 0.00 0.00 0.00 179.25 179.01 3mgp h ALA 70 N 1.27 -0.71 -0.33 0.00 0.00 0.08 -2.67 119.26 116.92 3mgp h ALA 70 Ca 0.26 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3mgp h ALA 70 Cb -0.04 0.89 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3mgp h ALA 70 CO -0.08 -0.99 -0.01 -0.09 0.00 0.00 0.00 179.25 178.07 3mgp h ARG 71 N -0.52 0.08 -0.64 0.00 2.43 -0.10 -0.98 114.38 114.64 3mgp h ARG 71 Ca 0.06 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.41 3mgp h ARG 71 Cb 0.65 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 3mgp h ARG 71 CO -0.43 0.05 0.53 -0.44 -1.51 0.00 0.00 179.97 178.17 3mgp h ASP 72 N 0.08 0.00 -0.64 -3.80 3.32 -0.24 -0.93 116.42 114.21 3mgp h ASP 72 Ca 0.16 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.02 3mgp h ASP 72 Cb 0.22 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.66 3mgp h ASP 72 CO -0.27 0.00 0.20 0.59 -1.72 0.00 0.00 179.24 178.04 3mgp n ASN 73 N -4.05 4.48 -3.41 6.45 3.02 -0.47 -4.95 115.26 116.33 3mgp n ASN 73 Ca 0.13 -3.26 -0.25 0.00 -0.03 0.00 0.00 54.58 51.17 3mgp n ASN 73 Cb 0.77 -0.71 0.04 0.00 -0.61 0.00 0.00 39.78 39.27 3mgp n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mgp n LYS 74 N -0.31 -5.54 -4.58 3.52 5.02 -0.35 -4.99 118.16 110.93 3mgp n LYS 74 Ca 0.38 0.75 -0.27 0.00 -2.02 0.00 0.00 58.31 57.15 3mgp n LYS 74 Cb 1.29 -5.65 -0.14 0.00 -0.02 0.00 0.00 35.03 30.52 3mgp n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3mgp s LYS 75 N -6.10 1.44 0.00 1.97 -0.14 -0.62 -5.01 119.74 111.28 3mgp s LYS 75 Ca 0.47 -1.12 0.15 0.00 -1.36 0.00 0.00 55.97 54.10 3mgp s LYS 75 Cb -0.22 -1.69 0.08 0.00 -1.68 0.00 0.00 37.83 34.32 3mgp s LYS 75 CO 0.58 0.42 0.92 0.25 -0.76 0.00 0.00 175.35 176.75 3mgp n THR 76 N 1.46 0.00 -4.02 2.17 -2.24 -1.26 -3.41 114.28 106.97 3mgp n THR 76 Ca -0.18 -0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 60.81 3mgp n THR 76 Cb 0.53 1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 69.88 3mgp n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3mgp s ARG 77 N -1.41 2.97 -0.06 -0.78 3.52 -1.26 -5.08 118.95 116.84 3mgp s ARG 77 Ca 0.16 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 3mgp s ARG 77 Cb 0.12 -2.81 -0.06 0.00 -1.56 0.00 0.00 34.95 30.64 3mgp s ARG 77 CO 0.24 -0.29 1.67 0.42 -0.81 0.00 0.00 175.30 176.53 3mgp s ILE 78 N 1.33 3.55 0.44 4.11 1.01 -1.26 -4.95 121.20 125.43 3mgp s ILE 78 Ca 0.03 0.67 0.07 0.00 0.00 0.00 0.00 60.65 61.41 3mgp s ILE 78 Cb -0.15 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3mgp s ILE 78 CO -0.08 -0.07 0.27 0.27 0.00 0.00 0.00 174.94 175.33 3mgp s ILE 79 N 4.18 2.22 0.53 2.92 -4.36 -1.26 -5.04 121.20 120.40 3mgp s ILE 79 Ca 0.74 -1.58 0.23 0.00 -0.26 0.00 0.00 60.65 59.79 3mgp s ILE 79 Cb -0.33 -2.80 0.36 0.00 1.25 0.00 0.00 42.46 40.94 3mgp s ILE 79 CO 0.30 0.00 2.04 -0.65 0.24 0.00 0.00 174.94 176.88 3mgp h PRO 80 N 1.19 0.00 -0.58 0.37 0.11 -1.89 -2.03 132.00 129.17 3mgp h PRO 80 Ca -0.41 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.77 3mgp h PRO 80 Cb 1.27 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 3mgp h PRO 80 CO 0.64 0.00 0.24 -0.09 -0.21 0.00 0.00 178.00 178.58 3mgp h ARG 81 N 0.00 0.43 0.13 1.05 9.65 -1.79 -0.94 114.38 122.91 3mgp h ARG 81 Ca 0.17 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3mgp h ARG 81 Cb 0.71 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3mgp h ARG 81 CO -0.00 0.28 -0.06 0.45 2.80 0.00 0.00 179.97 183.44 3mgp h HIS 82 N 0.44 -0.16 -1.00 2.20 3.86 -1.71 0.50 115.15 119.29 3mgp h HIS 82 Ca 0.28 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.67 3mgp h HIS 82 Cb 0.29 0.05 -0.10 0.00 1.06 0.00 0.00 27.41 28.71 3mgp h HIS 82 CO -0.14 -0.03 0.62 -0.07 0.86 0.00 0.00 177.93 179.16 3mgp h LEU 83 N -0.25 0.77 0.25 2.43 3.38 -1.39 0.10 115.31 120.60 3mgp h LEU 83 Ca -0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3mgp h LEU 83 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mgp h LEU 83 CO 0.03 0.29 -0.12 -0.61 0.09 0.00 0.00 178.44 178.12 3mgp h GLN 84 N 0.76 -0.32 -0.88 1.13 5.75 -0.49 -1.35 115.11 119.71 3mgp h GLN 84 Ca 0.56 0.02 0.22 0.00 -0.15 0.00 0.00 58.65 59.30 3mgp h GLN 84 Cb 0.88 0.07 -0.16 0.00 1.07 0.00 0.00 27.48 29.34 3mgp h GLN 84 CO -0.35 0.02 0.00 -0.07 -2.65 0.00 0.00 178.83 175.79 3mgp h LEU 85 N -0.93 -0.44 0.14 -2.39 3.38 -0.89 0.17 115.31 114.35 3mgp h LEU 85 Ca -0.03 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3mgp h LEU 85 Cb 0.49 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3mgp h LEU 85 CO 0.06 -0.26 -0.41 0.00 0.09 0.00 0.00 178.44 177.91 3mgp h ALA 86 N 1.85 -0.75 -0.36 1.53 0.00 -0.68 -2.21 119.26 118.65 3mgp h ALA 86 Ca 0.50 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 3mgp h ALA 86 Cb 0.95 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 3mgp h ALA 86 CO -0.80 -0.99 -0.01 0.28 0.00 0.00 0.00 179.25 177.73 3mgp h VAL 87 N -0.66 1.26 0.00 0.00 2.07 -0.90 -2.99 116.25 115.02 3mgp h VAL 87 Ca 0.02 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3mgp h VAL 87 Cb 0.68 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3mgp h VAL 87 CO -0.23 0.33 -0.16 0.03 0.02 0.00 0.00 177.57 177.56 3mgp h ARG 88 N 0.45 0.00 0.00 1.57 2.47 -0.68 -2.64 114.38 115.55 3mgp h ARG 88 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3mgp h ARG 88 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3mgp h ARG 88 CO 0.02 0.16 -0.31 0.09 0.56 0.00 0.00 179.97 180.50 3mgp n ASN 89 N -3.16 0.36 -4.24 7.04 3.02 -0.83 -4.68 115.26 112.76 3mgp n ASN 89 Ca 0.03 0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.30 3mgp n ASN 89 Cb 0.57 -0.09 -0.11 0.00 -0.61 0.00 0.00 39.78 39.54 3mgp n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mgp s ASP 90 N -3.21 5.46 0.32 6.41 2.15 -1.11 -4.99 116.67 121.71 3mgp s ASP 90 Ca 0.12 -1.46 0.18 0.00 0.43 0.00 0.00 52.55 51.82 3mgp s ASP 90 Cb 0.17 -1.92 1.18 0.00 -0.30 0.00 0.00 42.92 42.05 3mgp s ASP 90 CO 0.63 -0.46 1.39 1.21 -0.17 0.00 0.00 175.17 177.77 3mgp n GLU 91 N 4.83 -0.05 0.07 4.34 2.13 -1.26 -0.84 120.64 129.85 3mgp n GLU 91 Ca -0.10 1.22 -0.23 0.00 0.66 0.00 0.00 57.16 58.71 3mgp n GLU 91 Cb 0.43 -2.18 -0.15 0.00 0.27 0.00 0.00 31.44 29.81 3mgp n GLU 91 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3mgp h GLU 92 N 0.00 0.38 -0.06 5.31 5.08 -1.94 -2.64 114.58 120.72 3mgp h GLU 92 Ca 0.74 -0.65 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 3mgp h GLU 92 Cb 1.96 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.44 3mgp h GLU 92 CO -0.68 1.31 -0.54 -0.07 -1.00 0.00 0.00 179.01 178.03 3mgp h LEU 93 N -0.01 0.18 -0.39 1.33 3.38 -1.69 -1.47 115.31 116.63 3mgp h LEU 93 Ca -0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 3mgp h LEU 93 Cb 2.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 3mgp h LEU 93 CO 0.17 0.69 0.16 -1.13 0.09 0.00 0.00 178.44 178.42 3mgp h ASN 94 N 0.13 0.54 0.13 -0.43 -1.24 -0.63 -0.21 115.58 113.88 3mgp h ASN 94 Ca 0.00 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.84 3mgp h ASN 94 Cb 0.99 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.91 3mgp h ASN 94 CO 0.08 0.55 -0.06 0.50 -1.29 0.00 0.00 177.43 177.21 3mgp h LYS 95 N 0.49 -0.17 -0.82 6.67 3.64 -1.45 -1.81 116.57 123.12 3mgp h LYS 95 Ca 0.13 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 3mgp h LYS 95 Cb 0.18 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 3mgp h LYS 95 CO -0.01 0.04 0.53 1.25 -2.27 0.00 0.00 179.45 178.99 3mgp h LEU 96 N -0.37 0.68 -4.06 5.20 5.85 -1.18 -1.51 115.31 119.92 3mgp h LEU 96 Ca -0.02 0.02 -0.64 0.00 0.84 0.00 0.00 57.88 58.08 3mgp h LEU 96 Cb 0.30 -0.12 -0.35 0.00 0.37 0.00 0.00 40.66 40.86 3mgp h LEU 96 CO 0.03 0.40 0.17 0.18 -0.34 0.00 0.00 178.44 178.88 3mgp n LEU 97 N -4.51 6.47 0.12 2.25 4.77 -0.10 -4.74 117.00 121.26 3mgp n LEU 97 Ca 0.14 -4.59 0.13 0.00 -0.03 0.00 0.00 56.01 51.66 3mgp n LEU 97 Cb 0.34 -0.72 0.35 0.00 -2.33 0.00 0.00 43.42 41.06 3mgp n LEU 97 CO 0.32 1.79 0.84 1.23 -1.33 0.00 0.00 177.39 180.24 3mgp h GLY 98 N 2.22 0.00 -1.36 -0.72 0.00 -0.37 -3.14 103.07 99.70 3mgp h GLY 98 Ca 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 3mgp h GLY 98 CO 1.23 0.00 -0.32 0.54 0.00 0.00 0.00 176.54 177.99 3mgp n ARG 99 N -2.39 1.69 -4.36 4.80 5.12 -1.26 -5.02 116.66 115.24 3mgp n ARG 99 Ca 0.05 -3.23 -0.25 0.00 -1.93 0.00 0.00 57.85 52.49 3mgp n ARG 99 Cb 0.45 -1.69 -0.12 0.00 -1.16 0.00 0.00 32.46 29.94 3mgp n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3mgp s VAL 100 N -3.22 2.04 -0.11 1.55 1.01 -1.19 -5.13 120.40 115.35 3mgp s VAL 100 Ca 0.40 -1.84 0.02 0.00 0.00 0.00 0.00 61.98 60.56 3mgp s VAL 100 Cb 0.38 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.88 3mgp s VAL 100 CO -0.04 -0.12 -0.16 -0.89 0.00 0.00 0.00 175.10 173.89 3mgp s THR 101 N -1.56 1.57 -0.41 3.92 2.01 -1.26 -5.05 115.64 114.86 3mgp s THR 101 Ca 0.15 -0.69 -0.17 0.00 0.31 0.00 0.00 61.69 61.29 3mgp s THR 101 Cb -0.08 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.02 3mgp s THR 101 CO 0.07 0.46 0.41 -0.63 -0.69 0.00 0.00 174.62 174.23 3mgp s ILE 102 N 0.94 5.12 0.31 1.82 1.01 -1.26 -5.04 121.20 124.10 3mgp s ILE 102 Ca -0.07 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 3mgp s ILE 102 Cb -0.15 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.20 3mgp s ILE 102 CO -0.01 -0.36 1.32 0.00 0.00 0.00 0.00 174.94 175.89 3mgp n ALA 103 N 5.51 1.19 -2.13 9.38 0.00 -1.26 -2.43 120.51 130.77 3mgp n ALA 103 Ca -0.08 0.38 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 3mgp n ALA 103 Cb 0.48 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 3mgp n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3mgp n GLN 104 N 1.04 -1.29 -0.09 0.00 1.13 -1.26 -4.85 117.38 112.07 3mgp n GLN 104 Ca 0.07 0.87 -0.10 0.00 -1.94 0.00 0.00 57.00 55.89 3mgp n GLN 104 Cb 0.34 -5.24 -0.15 0.00 0.11 0.00 0.00 30.24 25.30 3mgp n GLN 104 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mgp n GLY 105 N -1.00 -0.95 6.52 1.08 0.00 -1.02 -3.44 105.19 106.38 3mgp n GLY 105 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3mgp n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgp n GLY 106 N 1.76 -2.03 3.87 -0.02 0.00 -1.26 -4.52 105.19 102.97 3mgp n GLY 106 Ca -0.31 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 3mgp n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mgp s VAL 107 N 0.00 1.73 0.07 1.61 -7.23 -1.26 -5.01 120.40 110.31 3mgp s VAL 107 Ca 0.00 -1.56 -0.28 0.00 -1.81 0.00 0.00 61.98 58.32 3mgp s VAL 107 Cb 0.00 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 3mgp s VAL 107 CO 0.00 0.00 0.90 -0.76 -0.31 0.00 0.00 175.10 174.93 3mgp s LEU 108 N -4.18 4.46 -0.28 1.32 1.43 -1.26 -4.99 118.68 115.17 3mgp s LEU 108 Ca 0.32 1.65 -0.34 0.00 -1.03 0.00 0.00 54.13 54.73 3mgp s LEU 108 Cb -0.01 -3.46 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 3mgp s LEU 108 CO 0.20 -0.08 2.13 -2.65 0.23 0.00 0.00 176.35 176.18 3mgp n PRO 109 N 3.02 1.44 -3.60 1.29 -0.02 -1.26 -4.92 135.00 130.95 3mgp n PRO 109 Ca 0.01 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 61.89 3mgp n PRO 109 Cb 0.50 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 3mgp n PRO 109 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3mgp s ASN 110 N 6.85 -0.90 -0.12 2.55 2.47 -1.26 -5.15 114.94 119.38 3mgp s ASN 110 Ca 1.05 1.34 0.03 0.00 0.42 0.00 0.00 52.86 55.69 3mgp s ASN 110 Cb -0.73 2.02 -0.00 0.00 -1.45 0.00 0.00 41.25 41.09 3mgp s ASN 110 CO 0.47 -0.23 -0.21 -0.63 -3.72 0.00 0.00 177.10 172.79 3mgp s ILE 111 N 2.81 2.33 0.37 -5.21 1.01 -1.26 -5.12 121.20 116.14 3mgp s ILE 111 Ca -0.02 -0.92 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 3mgp s ILE 111 Cb -0.12 -1.92 -0.09 0.00 0.01 0.00 0.00 42.46 40.33 3mgp s ILE 111 CO -0.17 0.55 1.22 -1.10 0.00 0.00 0.00 174.94 175.43 3mgp s GLN 112 N 0.43 4.17 0.13 2.79 -1.52 -1.26 -4.94 119.66 119.46 3mgp s GLN 112 Ca -0.15 1.98 -0.31 0.00 -1.95 0.00 0.00 55.36 54.94 3mgp s GLN 112 Cb -0.17 -2.84 -0.08 0.00 -0.22 0.00 0.00 33.01 29.70 3mgp s GLN 112 CO 0.06 -0.26 1.57 0.77 -0.25 0.00 0.00 175.29 177.19 3mgp h SER 113 N 2.95 -1.47 -0.13 5.90 0.02 -1.99 -0.89 113.55 117.95 3mgp h SER 113 Ca -0.49 0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.69 3mgp h SER 113 Cb 1.23 0.59 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 3mgp h SER 113 CO 0.64 -0.45 0.59 -0.37 -1.14 0.00 0.00 176.83 176.09 3mgp h VAL 114 N -0.52 0.05 0.00 2.27 -1.51 -2.01 -0.46 116.25 114.06 3mgp h VAL 114 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 3mgp h VAL 114 Cb 0.65 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 3mgp h VAL 114 CO -0.42 0.00 -0.42 -0.07 -1.23 0.00 0.00 177.57 175.43 3mgp h LEU 115 N 0.00 0.00 -9.92 4.19 3.38 -1.52 -3.45 115.31 107.99 3mgp h LEU 115 Ca 0.06 -0.12 -0.48 0.00 0.09 0.00 0.00 57.88 57.43 3mgp h LEU 115 Cb 1.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.99 3mgp h LEU 115 CO -0.00 0.06 0.41 -0.76 0.09 0.00 0.00 178.44 178.24 3mgp s LEU 116 N -4.56 4.25 0.80 1.67 1.43 -0.18 -5.05 118.68 117.03 3mgp s LEU 116 Ca 0.07 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 3mgp s LEU 116 Cb 0.12 -4.06 0.07 0.00 0.03 0.00 0.00 46.19 42.35 3mgp s LEU 116 CO 0.69 -0.36 1.10 -2.16 0.23 0.00 0.00 176.35 175.84 3mgp s PRO 117 N -2.23 2.10 0.00 1.29 0.04 -1.26 -5.07 135.00 129.86 3mgp s PRO 117 Ca 0.54 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3mgp s PRO 117 Cb -0.23 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.39 3mgp s PRO 117 CO 0.29 -1.62 0.00 1.63 0.04 0.00 0.00 177.00 177.35