#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mip s GLN 2 N 0.00 0.05 -0.22 0.54 0.74 -1.26 -5.12 119.66 114.39 2mip s GLN 2 Ca 0.00 0.18 -0.01 0.00 0.05 0.00 0.00 55.36 55.58 2mip s GLN 2 Cb 0.00 -0.34 0.02 0.00 1.10 0.00 0.00 33.01 33.80 2mip s GLN 2 CO 0.00 -0.18 -0.11 -0.06 -0.55 0.00 0.00 175.29 174.39 2mip s PHE 3 N 1.17 2.97 0.15 1.67 0.40 -1.26 -5.07 117.98 118.01 2mip s PHE 3 Ca -0.08 -1.57 -0.04 0.00 -0.60 0.00 0.00 56.93 54.65 2mip s PHE 3 Cb -0.13 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.34 2mip s PHE 3 CO -0.03 -0.74 0.38 -1.12 0.70 0.00 0.00 175.22 174.41 2mip s SER 4 N 1.32 6.47 -0.11 1.36 0.01 -1.26 -5.01 113.70 116.47 2mip s SER 4 Ca 0.02 0.56 0.13 0.00 1.31 0.00 0.00 55.95 57.97 2mip s SER 4 Cb -0.15 -2.08 0.59 0.00 0.21 0.00 0.00 66.02 64.59 2mip s SER 4 CO -0.07 0.04 1.45 0.18 0.41 0.00 0.00 173.24 175.24 2mip n LEU 5 N -0.03 4.05 -0.21 2.44 4.77 -1.26 -4.37 117.00 122.39 2mip n LEU 5 Ca -0.03 -2.05 -0.03 0.00 -0.03 0.00 0.00 56.01 53.88 2mip n LEU 5 Cb 0.52 -0.54 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2mip n LEU 5 CO 0.49 0.63 1.08 -0.50 -1.33 0.00 0.00 177.39 177.75 2mip h TRP 6 N 3.19 0.63 -1.84 -1.77 4.06 -2.03 -3.40 115.95 114.79 2mip h TRP 6 Ca 0.00 0.02 -0.46 0.00 2.06 0.00 0.00 58.89 60.52 2mip h TRP 6 Cb 1.31 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 2mip h TRP 6 CO 0.67 0.32 -0.38 -1.59 -3.56 0.00 0.00 178.44 173.90 2mip s LYS 7 N -6.11 3.03 0.34 0.49 0.00 -1.26 -5.06 119.74 111.16 2mip s LYS 7 Ca -0.13 -1.07 -0.29 0.00 0.00 0.00 0.00 55.97 54.48 2mip s LYS 7 Cb 0.15 -2.73 -0.10 0.00 0.00 0.00 0.00 37.83 35.15 2mip s LYS 7 CO 0.75 0.10 1.37 1.03 0.00 0.00 0.00 175.35 178.60 2mip s ARG 8 N -4.11 4.28 -1.07 1.78 0.52 -1.26 -4.88 118.95 114.21 2mip s ARG 8 Ca 0.43 2.33 -0.25 0.00 -0.52 0.00 0.00 55.73 57.72 2mip s ARG 8 Cb -0.08 -3.04 -0.15 0.00 0.52 0.00 0.00 34.95 32.19 2mip s ARG 8 CO 0.30 -0.30 2.07 -1.25 0.02 0.00 0.00 175.30 176.13 2mip s PRO 9 N -1.77 1.83 -0.11 3.54 0.04 -1.26 -4.93 135.00 132.35 2mip s PRO 9 Ca 0.51 -0.59 0.02 0.00 0.04 0.00 0.00 61.00 60.98 2mip s PRO 9 Cb -0.42 -5.06 -0.01 0.00 0.04 0.00 0.00 34.50 29.05 2mip s PRO 9 CO 0.55 -4.64 -0.17 0.08 0.04 0.00 0.00 177.00 172.87 2mip s VAL 10 N 13.94 2.74 0.12 -0.36 1.01 -1.26 -0.84 120.40 135.76 2mip s VAL 10 Ca 0.77 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2mip s VAL 10 Cb -0.04 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2mip s VAL 10 CO 0.13 0.54 0.04 0.68 0.00 0.00 0.00 175.10 176.49 2mip s VAL 11 N 0.18 0.18 -0.19 2.92 -7.23 -0.50 -4.96 120.40 110.81 2mip s VAL 11 Ca -0.10 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2mip s VAL 11 Cb -0.16 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 2mip s VAL 11 CO 0.06 -0.55 0.16 -0.89 -0.31 0.00 0.00 175.10 173.56 2mip s THR 12 N -3.98 5.39 0.24 5.32 2.01 -1.26 -0.21 115.64 123.15 2mip s THR 12 Ca 0.21 0.26 0.11 0.00 0.31 0.00 0.00 61.69 62.58 2mip s THR 12 Cb 0.07 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2mip s THR 12 CO 0.00 0.43 -0.14 0.00 -0.69 0.00 0.00 174.62 174.22 2mip s ALA 13 N 0.36 2.84 -0.28 7.40 0.00 0.11 -4.61 121.76 127.59 2mip s ALA 13 Ca 0.10 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 2mip s ALA 13 Cb -0.11 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.56 2mip s ALA 13 CO -0.01 0.34 -0.02 0.71 0.00 0.00 0.00 175.76 176.78 2mip s TYR 14 N -2.16 3.17 -0.34 0.00 2.02 0.12 0.59 117.35 120.74 2mip s TYR 14 Ca 0.28 -1.67 -0.09 0.00 -0.37 0.00 0.00 57.07 55.22 2mip s TYR 14 Cb -0.07 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 2mip s TYR 14 CO 0.15 -0.75 0.16 0.42 -1.57 0.00 0.00 175.55 173.96 2mip s ILE 15 N 1.30 4.36 -1.39 2.71 1.01 0.45 -1.03 121.20 128.61 2mip s ILE 15 Ca -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 2mip s ILE 15 Cb -0.18 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2mip s ILE 15 CO -0.02 -0.12 0.43 -0.62 0.00 0.00 0.00 174.94 174.60 2mip n GLU 16 N 4.94 -3.09 0.00 2.79 -0.58 0.69 -1.68 120.64 123.71 2mip n GLU 16 Ca -0.13 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2mip n GLU 16 Cb 0.47 -4.46 0.00 0.00 -0.57 0.00 0.00 31.44 26.88 2mip n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2mip n GLY 17 N -1.99 3.12 3.72 0.62 0.00 -1.26 -5.02 105.19 104.38 2mip n GLY 17 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 2mip n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2mip s GLN 18 N -0.30 4.25 0.39 1.61 -2.07 -0.68 -4.99 119.66 117.86 2mip s GLN 18 Ca 0.00 0.06 -0.24 0.00 -1.82 0.00 0.00 55.36 53.35 2mip s GLN 18 Cb 0.00 -3.43 -0.09 0.00 -1.09 0.00 0.00 33.01 28.40 2mip s GLN 18 CO 0.00 0.23 1.06 -1.25 -1.32 0.00 0.00 175.29 174.00 2mip s PRO 19 N 0.51 4.20 0.06 9.60 0.04 -1.26 -0.41 135.00 147.75 2mip s PRO 19 Ca 0.15 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 2mip s PRO 19 Cb -0.13 -2.60 0.03 0.00 0.04 0.00 0.00 34.50 31.84 2mip s PRO 19 CO 0.03 -0.12 0.35 0.54 0.04 0.00 0.00 177.00 177.84 2mip s VAL 20 N -1.61 0.08 -0.15 -0.36 0.11 0.20 -4.95 120.40 113.71 2mip s VAL 20 Ca 0.57 -0.62 -0.10 0.00 -2.93 0.00 0.00 61.98 58.90 2mip s VAL 20 Cb -0.23 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.58 2mip s VAL 20 CO 0.29 -0.34 0.18 -1.61 -3.33 0.00 0.00 175.10 170.28 2mip s GLU 21 N -2.77 3.87 0.04 1.54 0.41 -1.26 0.10 118.70 120.63 2mip s GLU 21 Ca -0.03 -0.10 0.05 0.00 -0.41 0.00 0.00 54.97 54.48 2mip s GLU 21 Cb -0.00 -3.31 -0.02 0.00 -1.78 0.00 0.00 34.13 29.01 2mip s GLU 21 CO -0.05 0.52 -0.15 0.14 -0.49 0.00 0.00 175.26 175.23 2mip s VAL 22 N -0.30 1.15 -0.25 2.63 -7.23 0.71 -4.44 120.40 112.67 2mip s VAL 22 Ca 0.13 -1.06 -0.18 0.00 -1.81 0.00 0.00 61.98 59.07 2mip s VAL 22 Cb -0.12 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 2mip s VAL 22 CO 0.02 -0.01 0.50 -0.22 -0.31 0.00 0.00 175.10 175.08 2mip s LEU 23 N -1.23 4.06 -0.16 1.32 2.96 0.04 -1.41 118.68 124.26 2mip s LEU 23 Ca 0.02 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 2mip s LEU 23 Cb -0.08 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 2mip s LEU 23 CO 0.01 -0.26 1.27 -0.76 -1.32 0.00 0.00 176.35 175.29 2mip s LEU 24 N 2.19 4.18 -0.24 -0.68 1.43 -0.02 -1.95 118.68 123.61 2mip s LEU 24 Ca 0.21 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 2mip s LEU 24 Cb -0.16 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.59 2mip s LEU 24 CO 0.09 -0.76 -0.05 -0.62 0.23 0.00 0.00 176.35 175.24 2mip s ASP 25 N 1.99 3.91 0.21 2.29 -1.08 -0.17 -4.77 116.67 119.05 2mip s ASP 25 Ca 0.55 -1.24 0.20 0.00 -0.52 0.00 0.00 52.55 51.54 2mip s ASP 25 Cb -0.22 -1.20 0.89 0.00 -1.46 0.00 0.00 42.92 40.93 2mip s ASP 25 CO 0.15 -0.25 1.61 0.35 0.52 0.00 0.00 175.17 177.55 2mip n THR 26 N 4.65 0.97 -0.84 1.71 -2.24 -1.26 -2.52 114.28 114.75 2mip n THR 26 Ca -0.11 0.34 0.08 0.00 -2.27 0.00 0.00 64.05 62.09 2mip n THR 26 Cb 0.44 -1.26 0.34 0.00 -2.10 0.00 0.00 70.33 67.75 2mip n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2mip n GLY 27 N -0.33 3.29 3.46 3.38 0.00 -1.26 -4.79 105.19 108.95 2mip n GLY 27 Ca 0.02 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2mip n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mip s ALA 28 N -2.52 2.81 -0.06 4.61 0.00 -1.05 -5.00 121.76 120.55 2mip s ALA 28 Ca 0.48 -0.88 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2mip s ALA 28 Cb 0.36 -1.29 -0.28 0.00 0.00 0.00 0.00 23.12 21.91 2mip s ALA 28 CO 0.15 0.34 0.93 -0.44 0.00 0.00 0.00 175.76 176.74 2mip h ASP 29 N 6.25 0.35 -1.60 0.00 3.32 -1.90 -0.49 116.42 122.36 2mip h ASP 29 Ca -0.34 -0.90 -0.49 0.00 0.02 0.00 0.00 57.03 55.32 2mip h ASP 29 Cb 1.19 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 2mip h ASP 29 CO 0.57 1.22 -0.39 -1.81 -1.72 0.00 0.00 179.24 177.11 2mip s ASP 30 N -6.68 5.16 -0.08 6.45 1.01 -1.26 -3.67 116.67 117.61 2mip s ASP 30 Ca -0.15 -0.65 0.02 0.00 0.71 0.00 0.00 52.55 52.48 2mip s ASP 30 Cb 0.01 -0.69 -0.02 0.00 1.01 0.00 0.00 42.92 43.23 2mip s ASP 30 CO 0.79 -0.58 -0.13 -0.44 0.21 0.00 0.00 175.17 175.02 2mip s SER 31 N -4.11 4.11 -0.06 0.27 0.01 -1.26 -3.35 113.70 109.31 2mip s SER 31 Ca 0.47 -0.21 -0.02 0.00 1.31 0.00 0.00 55.95 57.49 2mip s SER 31 Cb -0.04 -1.13 0.04 0.00 0.21 0.00 0.00 66.02 65.09 2mip s SER 31 CO 0.28 0.29 0.10 -0.51 0.41 0.00 0.00 173.24 173.80 2mip s ILE 32 N -0.39 -0.16 0.07 1.44 2.07 -0.23 -0.83 121.20 123.17 2mip s ILE 32 Ca 0.04 0.40 0.06 0.00 -1.41 0.00 0.00 60.65 59.75 2mip s ILE 32 Cb -0.12 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.23 2mip s ILE 32 CO 0.02 0.17 -0.12 0.68 -1.91 0.00 0.00 174.94 173.78 2mip s VAL 33 N 2.20 3.27 0.28 4.00 -7.23 0.67 -1.61 120.40 121.97 2mip s VAL 33 Ca 0.04 -1.17 0.09 0.00 -1.81 0.00 0.00 61.98 59.13 2mip s VAL 33 Cb -0.12 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2mip s VAL 33 CO -0.04 0.21 0.03 0.00 -0.31 0.00 0.00 175.10 174.99 2mip s ALA 34 N -1.11 3.24 -0.33 1.32 0.00 -1.25 -2.51 121.76 121.12 2mip s ALA 34 Ca 0.19 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.48 2mip s ALA 34 Cb -0.11 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2mip s ALA 34 CO 0.10 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2mip n GLY 35 N -0.95 0.62 3.39 0.00 0.00 -1.26 -5.03 105.19 101.96 2mip n GLY 35 Ca -0.06 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 2mip n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2mip s ILE 36 N -2.00 2.09 -0.32 -0.61 -4.36 -1.26 -5.11 121.20 109.62 2mip s ILE 36 Ca 0.00 -2.11 -0.06 0.00 -0.26 0.00 0.00 60.65 58.23 2mip s ILE 36 Cb 0.00 -2.05 0.04 0.00 1.25 0.00 0.00 42.46 41.70 2mip s ILE 36 CO 0.00 -0.33 0.08 -0.70 0.24 0.00 0.00 174.94 174.23 2mip s GLU 37 N -3.06 2.66 0.00 0.37 -6.30 -1.26 -4.95 118.70 106.16 2mip s GLU 37 Ca 0.21 -1.14 0.20 0.00 -2.50 0.00 0.00 54.97 51.75 2mip s GLU 37 Cb -0.05 -3.39 0.43 0.00 0.00 0.00 0.00 34.13 31.12 2mip s GLU 37 CO 0.09 -0.62 1.37 1.28 0.02 0.00 0.00 175.26 177.40 2mip n LEU 38 N 4.78 3.38 0.00 2.70 4.32 -1.26 -5.07 117.00 125.86 2mip n LEU 38 Ca -0.13 -1.65 0.00 0.00 -0.02 0.00 0.00 56.01 54.21 2mip n LEU 38 Cb 0.45 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 2mip n LEU 38 CO 0.30 0.77 0.00 0.61 -1.22 0.00 0.00 177.39 177.86 2mip n GLY 39 N 1.32 -0.99 0.06 -0.72 0.00 -1.26 -4.71 105.19 98.90 2mip n GLY 39 Ca 0.18 -2.04 0.02 0.00 0.00 0.00 0.00 46.02 44.19 2mip n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2mip n ASN 40 N 0.00 1.48 -4.30 1.61 0.23 -1.26 -4.82 115.26 108.20 2mip n ASN 40 Ca 0.00 -2.04 -0.44 0.00 -0.53 0.00 0.00 54.58 51.57 2mip n ASN 40 Cb 0.00 -0.12 -0.01 0.00 -2.08 0.00 0.00 39.78 37.57 2mip n ASN 40 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2mip s ASN 41 N -1.22 7.02 0.19 0.53 3.04 -1.26 -4.95 114.94 118.30 2mip s ASN 41 Ca 0.07 -3.52 0.02 0.00 0.04 0.00 0.00 52.86 49.48 2mip s ASN 41 Cb 0.06 -2.16 -0.05 0.00 -1.54 0.00 0.00 41.25 37.57 2mip s ASN 41 CO 0.01 -0.30 0.01 -0.72 -3.04 0.00 0.00 177.10 173.06 2mip s TYR 42 N -1.12 1.32 -0.06 0.43 -0.85 -1.26 -4.65 117.35 111.16 2mip s TYR 42 Ca 0.29 -1.01 0.04 0.00 -0.52 0.00 0.00 57.07 55.87 2mip s TYR 42 Cb -0.10 -0.76 -0.02 0.00 0.38 0.00 0.00 41.96 41.47 2mip s TYR 42 CO -0.09 -0.18 -0.19 0.45 -1.52 0.00 0.00 175.55 174.02 2mip s SER 43 N -3.22 3.59 0.47 -0.18 0.15 -0.41 -4.91 113.70 109.20 2mip s SER 43 Ca 0.26 -0.35 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 2mip s SER 43 Cb 0.06 -0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 63.43 2mip s SER 43 CO 0.06 0.29 1.19 -2.84 1.20 0.00 0.00 173.24 173.14 2mip s PRO 44 N -0.39 3.66 0.03 5.44 0.01 -1.26 -1.00 135.00 141.49 2mip s PRO 44 Ca 0.04 1.84 -0.14 0.00 0.01 0.00 0.00 61.00 62.75 2mip s PRO 44 Cb -0.12 -2.38 0.02 0.00 0.01 0.00 0.00 34.50 32.03 2mip s PRO 44 CO 0.02 -0.65 0.30 0.15 0.01 0.00 0.00 177.00 176.83 2mip s LYS 45 N -2.73 0.76 -0.18 5.54 -0.14 -0.91 -4.85 119.74 117.23 2mip s LYS 45 Ca 0.65 -0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.83 2mip s LYS 45 Cb -0.30 0.33 0.00 0.00 -1.68 0.00 0.00 37.83 36.18 2mip s LYS 45 CO 0.36 -0.23 -0.14 0.42 -0.76 0.00 0.00 175.35 175.00 2mip s ILE 46 N -2.20 2.64 -0.06 2.17 1.01 -1.26 0.09 121.20 123.60 2mip s ILE 46 Ca -0.07 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2mip s ILE 46 Cb -0.02 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2mip s ILE 46 CO -0.01 0.50 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 2mip s VAL 47 N 1.18 2.51 0.12 2.92 1.01 0.56 -4.94 120.40 123.76 2mip s VAL 47 Ca 0.02 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2mip s VAL 47 Cb -0.14 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2mip s VAL 47 CO -0.06 0.57 0.01 -0.83 0.00 0.00 0.00 175.10 174.79 2mip s GLY 48 N -0.36 1.85 0.00 4.51 0.00 -1.26 0.18 107.32 112.24 2mip s GLY 48 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2mip s GLY 48 CO 0.02 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.55 2mip n GLY 49 N 0.32 4.24 0.34 0.20 0.00 0.31 -4.97 105.19 105.62 2mip n GLY 49 Ca -0.10 -1.34 0.01 0.00 0.00 0.00 0.00 46.02 44.59 2mip n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2mip h ILE 50 N 0.35 1.07 0.00 -0.61 2.10 -2.01 -2.74 117.51 115.67 2mip h ILE 50 Ca 0.00 -0.36 -0.08 0.00 1.08 0.00 0.00 64.86 65.50 2mip h ILE 50 Cb 0.00 -0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 35.64 2mip h ILE 50 CO 0.00 0.19 -0.94 1.23 -1.08 0.00 0.00 178.15 177.55 2mip h GLY 51 N 1.06 0.00 0.00 8.18 0.00 -2.02 -3.50 103.07 106.78 2mip h GLY 51 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2mip h GLY 51 CO -0.16 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.99 2mip n GLY 52 N 1.25 -0.31 3.38 4.60 0.00 -1.04 -5.14 105.19 107.93 2mip n GLY 52 Ca -0.03 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 2mip n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2mip s PHE 53 N -4.00 2.15 0.01 1.61 0.08 -1.26 0.11 117.98 116.69 2mip s PHE 53 Ca 0.00 -0.39 -0.01 0.00 0.12 0.00 0.00 56.93 56.65 2mip s PHE 53 Cb 0.00 -1.12 -0.01 0.00 -0.57 0.00 0.00 43.02 41.31 2mip s PHE 53 CO 0.00 0.37 0.00 0.96 -0.10 0.00 0.00 175.22 176.45 2mip s ILE 54 N -1.40 0.10 0.26 0.64 -4.36 0.13 -4.97 121.20 111.59 2mip s ILE 54 Ca 0.15 -0.80 -0.28 0.00 -0.26 0.00 0.00 60.65 59.46 2mip s ILE 54 Cb -0.09 -0.27 -0.09 0.00 1.25 0.00 0.00 42.46 43.26 2mip s ILE 54 CO 0.07 -0.44 0.93 0.20 0.24 0.00 0.00 174.94 175.94 2mip s ASN 55 N -1.32 7.54 0.21 4.36 0.01 -1.26 -0.32 114.94 124.16 2mip s ASN 55 Ca -0.14 1.89 -0.00 0.00 -0.71 0.00 0.00 52.86 53.90 2mip s ASN 55 Cb -0.09 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 2mip s ASN 55 CO -0.01 0.10 0.10 0.42 -1.51 0.00 0.00 177.10 176.21 2mip s THR 56 N -1.30 0.25 -0.23 1.60 -4.23 0.11 -4.61 115.64 107.23 2mip s THR 56 Ca 0.43 -1.99 -0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2mip s THR 56 Cb -0.24 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.14 2mip s THR 56 CO 0.29 -0.07 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.68 2mip s LYS 57 N -4.09 2.99 -0.22 3.99 1.02 0.20 -2.13 119.74 121.50 2mip s LYS 57 Ca 0.36 -0.87 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 2mip s LYS 57 Cb 0.07 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.43 2mip s LYS 57 CO 0.11 -0.32 0.25 -2.00 -0.92 0.00 0.00 175.35 172.48 2mip s GLU 58 N 1.35 4.12 -0.12 1.68 2.12 -0.17 -0.69 118.70 127.00 2mip s GLU 58 Ca 0.02 -0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.28 2mip s GLU 58 Cb -0.15 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 2mip s GLU 58 CO -0.06 0.05 -0.15 0.71 -0.54 0.00 0.00 175.26 175.27 2mip s TYR 59 N 1.07 2.76 0.06 5.30 1.51 -0.84 -1.29 117.35 125.92 2mip s TYR 59 Ca 0.12 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 2mip s TYR 59 Cb -0.14 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2mip s TYR 59 CO 0.05 -0.21 0.15 0.15 -1.11 0.00 0.00 175.55 174.59 2mip s LYS 60 N 0.26 3.23 -0.59 -0.62 1.02 -1.26 -1.33 119.74 120.45 2mip s LYS 60 Ca -0.10 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.37 2mip s LYS 60 Cb -0.16 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 2mip s LYS 60 CO 0.06 0.60 0.00 0.09 -0.92 0.00 0.00 175.35 175.18 2mip n ASN 61 N 0.47 -4.20 -4.74 2.83 3.02 -1.23 -4.94 115.26 106.48 2mip n ASN 61 Ca -0.07 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2mip n ASN 61 Cb 0.51 -2.19 -0.01 0.00 -0.61 0.00 0.00 39.78 37.48 2mip n ASN 61 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2mip n VAL 62 N -2.66 1.50 -2.86 2.41 0.31 -0.02 -4.54 118.33 112.47 2mip n VAL 62 Ca -0.06 -0.38 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 2mip n VAL 62 Cb 0.27 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 2mip n VAL 62 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2mip s GLU 63 N -1.25 4.00 -0.12 5.55 2.56 -1.26 -0.29 118.70 127.88 2mip s GLU 63 Ca 0.60 0.73 0.01 0.00 0.00 0.00 0.00 54.97 56.30 2mip s GLU 63 Cb -0.52 -3.73 -0.01 0.00 2.00 0.00 0.00 34.13 31.87 2mip s GLU 63 CO 0.56 -0.73 -0.15 0.42 -0.56 0.00 0.00 175.26 174.80 2mip s ILE 64 N 3.13 2.88 -0.20 -3.70 -1.09 1.03 -0.23 121.20 123.01 2mip s ILE 64 Ca 0.36 -0.73 -0.00 0.00 -2.23 0.00 0.00 60.65 58.04 2mip s ILE 64 Cb -0.14 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.57 2mip s ILE 64 CO 0.13 0.53 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.54 2mip s GLU 65 N 0.28 3.02 -0.19 2.79 2.12 -0.19 0.22 118.70 126.75 2mip s GLU 65 Ca -0.11 -0.83 -0.28 0.00 0.36 0.00 0.00 54.97 54.11 2mip s GLU 65 Cb -0.16 -2.76 0.09 0.00 0.26 0.00 0.00 34.13 31.56 2mip s GLU 65 CO 0.06 -0.26 0.80 0.54 -0.54 0.00 0.00 175.26 175.87 2mip s VAL 66 N 1.33 0.00 -1.36 3.70 0.11 -0.45 0.13 120.40 123.86 2mip s VAL 66 Ca 0.04 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.00 2mip s VAL 66 Cb -0.14 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 2mip s VAL 66 CO -0.09 0.00 0.55 0.18 -3.33 0.00 0.00 175.10 172.41 2mip n LEU 67 N 1.75 -1.85 0.00 2.54 4.77 -1.26 -0.11 117.00 122.83 2mip n LEU 67 Ca -0.15 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2mip n LEU 67 Cb 0.56 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.33 2mip n LEU 67 CO 0.11 0.19 0.00 0.59 -1.33 0.00 0.00 177.39 176.96 2mip n ASN 68 N -2.38 0.00 -4.93 -1.43 4.13 -1.26 -4.96 115.26 104.44 2mip n ASN 68 Ca -0.03 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 55.97 2mip n ASN 68 Cb 0.56 -0.32 0.03 0.00 -1.54 0.00 0.00 39.78 38.51 2mip n ASN 68 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2mip s LYS 69 N 0.00 2.82 -0.31 3.52 1.02 0.84 -5.06 119.74 122.57 2mip s LYS 69 Ca 0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 55.97 55.83 2mip s LYS 69 Cb 0.00 -2.30 0.11 0.00 -0.52 0.00 0.00 37.83 35.12 2mip s LYS 69 CO 0.00 -0.72 0.15 0.21 -0.92 0.00 0.00 175.35 174.07 2mip s LYS 70 N -4.96 0.38 0.26 1.68 2.20 -1.25 -1.34 119.74 116.70 2mip s LYS 70 Ca 0.54 -0.86 0.07 0.00 -0.36 0.00 0.00 55.97 55.36 2mip s LYS 70 Cb -0.10 -1.32 -0.03 0.00 -1.51 0.00 0.00 37.83 34.86 2mip s LYS 70 CO 0.44 -1.08 0.26 0.14 -0.36 0.00 0.00 175.35 174.75 2mip s VAL 71 N 1.70 4.56 -0.26 4.02 -7.23 0.61 -4.90 120.40 118.90 2mip s VAL 71 Ca 0.12 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 2mip s VAL 71 Cb -0.18 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.28 2mip s VAL 71 CO -0.24 -0.32 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.05 2mip s ARG 72 N -3.90 2.79 0.20 4.82 0.52 -1.24 0.34 118.95 122.48 2mip s ARG 72 Ca 0.34 -1.01 -0.04 0.00 -0.52 0.00 0.00 55.73 54.50 2mip s ARG 72 Cb -0.08 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 2mip s ARG 72 CO 0.26 -0.43 0.21 0.00 0.02 0.00 0.00 175.30 175.36 2mip s ALA 73 N 1.32 0.80 -0.07 2.13 0.00 0.60 -4.79 121.76 121.76 2mip s ALA 73 Ca -0.01 -1.48 -0.28 0.00 0.00 0.00 0.00 51.96 50.20 2mip s ALA 73 Cb -0.17 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 2mip s ALA 73 CO -0.04 -0.64 0.92 0.99 0.00 0.00 0.00 175.76 176.99 2mip s THR 74 N -4.11 4.87 -0.03 0.00 2.01 -1.26 -0.84 115.64 116.27 2mip s THR 74 Ca 0.34 1.90 0.05 0.00 0.31 0.00 0.00 61.69 64.29 2mip s THR 74 Cb 0.05 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 2mip s THR 74 CO 0.10 0.11 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.32 2mip s ILE 75 N 1.43 1.59 0.12 1.82 -1.09 -0.44 -4.52 121.20 120.12 2mip s ILE 75 Ca 0.47 -0.83 0.07 0.00 -2.23 0.00 0.00 60.65 58.13 2mip s ILE 75 Cb -0.19 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.30 2mip s ILE 75 CO 0.21 0.45 -0.06 -0.04 -1.23 0.00 0.00 174.94 174.27 2mip s MET 76 N -0.20 2.24 -0.08 2.79 -1.94 -0.01 -1.98 119.30 120.12 2mip s MET 76 Ca 0.01 -1.03 0.04 0.00 -1.71 0.00 0.00 55.69 52.99 2mip s MET 76 Cb -0.10 -2.34 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 2mip s MET 76 CO 0.01 0.50 -0.20 0.99 -0.01 0.00 0.00 175.02 176.31 2mip s THR 77 N -1.37 2.51 0.00 2.05 2.01 0.13 -0.24 115.64 120.73 2mip s THR 77 Ca 0.24 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2mip s THR 77 Cb -0.11 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.43 2mip s THR 77 CO 0.16 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.26 2mip n GLY 78 N 3.01 0.74 3.52 4.40 0.00 -1.04 -0.63 105.19 115.19 2mip n GLY 78 Ca -0.18 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 2mip n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2mip s ASP 79 N -0.82 6.35 -0.02 1.61 -1.08 -1.26 -3.95 116.67 117.49 2mip s ASP 79 Ca 0.00 -0.32 0.01 0.00 -0.52 0.00 0.00 52.55 51.71 2mip s ASP 79 Cb 0.00 -2.44 0.01 0.00 -1.46 0.00 0.00 42.92 39.04 2mip s ASP 79 CO 0.00 -1.22 -0.02 0.28 0.52 0.00 0.00 175.17 174.73 2mip s THR 80 N 3.94 0.25 -0.66 1.71 -1.32 -1.26 -5.00 115.64 113.30 2mip s THR 80 Ca 0.31 -0.04 0.20 0.00 -1.21 0.00 0.00 61.69 60.94 2mip s THR 80 Cb -0.12 -0.28 0.19 0.00 -1.51 0.00 0.00 72.50 70.78 2mip s THR 80 CO 0.20 0.12 1.60 -0.81 -2.21 0.00 0.00 174.62 173.52 2mip n PRO 81 N 3.59 0.12 -3.73 7.08 -0.04 -1.26 -4.68 135.00 136.09 2mip n PRO 81 Ca -0.20 0.38 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 2mip n PRO 81 Cb 0.54 -1.74 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 2mip n PRO 81 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2mip s ILE 82 N -3.21 0.02 0.17 0.52 1.01 -1.26 -5.15 121.20 113.30 2mip s ILE 82 Ca 0.05 -0.13 -0.25 0.00 0.00 0.00 0.00 60.65 60.31 2mip s ILE 82 Cb 0.09 -0.61 -0.08 0.00 0.01 0.00 0.00 42.46 41.87 2mip s ILE 82 CO 0.33 -0.07 0.77 0.20 0.00 0.00 0.00 174.94 176.17 2mip s ASN 83 N -0.31 7.37 0.04 3.58 0.01 -1.26 -4.86 114.94 119.51 2mip s ASN 83 Ca -0.05 1.63 0.05 0.00 -0.71 0.00 0.00 52.86 53.78 2mip s ASN 83 Cb -0.03 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 2mip s ASN 83 CO 0.02 0.20 -0.13 0.27 -1.51 0.00 0.00 177.10 175.95 2mip s ILE 84 N -1.17 1.04 -0.29 0.60 -5.25 -0.63 -0.78 121.20 114.71 2mip s ILE 84 Ca 0.36 -0.98 -0.00 0.00 -0.99 0.00 0.00 60.65 59.04 2mip s ILE 84 Cb -0.23 -0.95 0.05 0.00 2.95 0.00 0.00 42.46 44.29 2mip s ILE 84 CO 0.26 -0.03 -0.03 -0.36 -1.79 0.00 0.00 174.94 172.99 2mip s PHE 85 N -0.87 3.27 0.76 1.37 0.40 -0.82 -1.07 117.98 121.02 2mip s PHE 85 Ca 0.01 -2.01 -0.02 0.00 -0.60 0.00 0.00 56.93 54.31 2mip s PHE 85 Cb -0.08 -2.07 0.15 0.00 0.51 0.00 0.00 43.02 41.53 2mip s PHE 85 CO 0.01 -0.83 1.05 0.20 0.70 0.00 0.00 175.22 176.35 2mip s GLY 86 N 1.21 1.76 0.53 4.36 0.00 -1.21 -1.00 107.32 112.97 2mip s GLY 86 Ca -0.06 -1.76 0.35 0.00 0.00 0.00 0.00 44.72 43.25 2mip s GLY 86 CO -0.02 -1.14 1.81 3.21 0.00 0.00 0.00 173.10 176.96 2mip h ARG 87 N -0.69 0.03 -0.88 2.90 3.08 -1.19 -1.64 114.38 116.00 2mip h ARG 87 Ca -0.36 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.84 2mip h ARG 87 Cb 1.26 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.23 2mip h ARG 87 CO 0.38 0.02 0.57 -2.95 -1.07 0.00 0.00 179.97 176.92 2mip h ASN 88 N 0.03 0.62 0.22 7.04 -1.07 -1.80 -0.30 115.58 120.31 2mip h ASN 88 Ca 0.55 0.04 -0.35 0.00 0.07 0.00 0.00 56.30 56.61 2mip h ASN 88 Cb 2.15 -0.08 -0.03 0.00 -2.07 0.00 0.00 38.32 38.29 2mip h ASN 88 CO -0.03 0.31 -1.96 -0.38 0.07 0.00 0.00 177.43 175.45 2mip n ILE 89 N -4.55 1.71 -0.31 6.14 5.41 -0.65 -3.60 119.36 123.50 2mip n ILE 89 Ca 0.17 -0.70 -0.02 0.00 1.00 0.00 0.00 62.75 63.20 2mip n ILE 89 Cb 0.49 -1.48 0.10 0.00 -0.71 0.00 0.00 39.64 38.04 2mip n ILE 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2mip h LEU 90 N 0.05 0.91 0.01 1.39 4.07 -1.14 -1.71 115.31 118.89 2mip h LEU 90 Ca -0.40 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.55 2mip h LEU 90 Cb 2.03 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.56 2mip h LEU 90 CO 0.07 0.63 -0.00 0.00 -1.08 0.00 0.00 178.44 178.06 2mip h THR 91 N 1.07 1.11 -0.92 0.22 1.03 -1.24 -1.76 112.91 112.42 2mip h THR 91 Ca 0.33 -0.35 0.13 0.00 -0.01 0.00 0.00 66.41 66.51 2mip h THR 91 Cb -0.02 1.34 -0.07 0.00 -1.07 0.00 0.00 68.15 68.33 2mip h THR 91 CO -0.11 0.09 0.59 0.00 -0.01 0.00 0.00 175.52 176.09 2mip h ALA 92 N 0.83 1.70 0.00 0.00 0.00 -1.40 -1.38 119.26 119.01 2mip h ALA 92 Ca -0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2mip h ALA 92 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2mip h ALA 92 CO 0.00 0.07 -0.15 -0.07 0.00 0.00 0.00 179.25 179.10 2mip h LEU 93 N 0.82 0.00 0.00 0.00 4.07 -1.29 -3.48 115.31 115.43 2mip h LEU 93 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.42 2mip h LEU 93 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2mip h LEU 93 CO -0.22 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 177.91 2mip n GLY 94 N -0.01 1.02 3.83 0.83 0.00 -0.52 -5.06 105.19 105.28 2mip n GLY 94 Ca -0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 2mip n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2mip s MET 95 N -1.16 3.59 0.01 1.61 -1.94 -0.68 -5.05 119.30 115.69 2mip s MET 95 Ca 0.00 0.98 -0.01 0.00 -1.71 0.00 0.00 55.69 54.96 2mip s MET 95 Cb 0.00 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.75 2mip s MET 95 CO 0.00 -0.57 -0.01 -1.12 -0.01 0.00 0.00 175.02 173.31 2mip s SER 96 N -3.28 0.17 -0.24 3.03 0.01 -1.26 -4.78 113.70 107.35 2mip s SER 96 Ca 0.59 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 57.34 2mip s SER 96 Cb -0.12 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2mip s SER 96 CO 0.40 -0.24 0.36 -0.22 0.41 0.00 0.00 173.24 173.94 2mip s LEU 97 N -1.14 4.08 0.07 2.44 0.20 -1.26 -5.06 118.68 118.01 2mip s LEU 97 Ca -0.12 0.34 0.09 0.00 0.69 0.00 0.00 54.13 55.13 2mip s LEU 97 Cb -0.08 -2.42 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 2mip s LEU 97 CO -0.01 -0.12 -0.25 0.20 -0.29 0.00 0.00 176.35 175.89 2mip s ASN 98 N 1.38 2.97 0.00 3.68 -0.87 -1.26 -5.29 114.94 115.56 2mip s ASN 98 Ca 0.15 -0.62 0.00 0.00 -1.57 0.00 0.00 52.86 50.82 2mip s ASN 98 Cb -0.15 -0.24 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 2mip s ASN 98 CO 0.09 0.20 0.00 -0.11 -2.57 0.00 0.00 177.10 174.70