#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 0.73 -0.29 0.54 0.74 -1.26 -5.11 119.66 115.01 2mip s GLN 2 Ca 0.00 -0.83 0.01 0.00 0.05 0.00 0.00 55.36 54.58 2mip s GLN 2 Cb 0.00 -0.67 0.09 0.00 1.10 0.00 0.00 33.01 33.53 2mip s GLN 2 CO 0.00 0.15 0.05 -0.06 -0.55 0.00 0.00 175.29 174.88 2mip s PHE 3 N -1.19 2.33 -0.12 1.67 0.08 -1.26 -5.08 117.98 114.42 2mip s PHE 3 Ca -0.04 -2.00 -0.27 0.00 0.12 0.00 0.00 56.93 54.75 2mip s PHE 3 Cb -0.09 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2mip s PHE 3 CO 0.01 -0.85 0.90 -1.12 -0.10 0.00 0.00 175.22 174.06 2mip s SER 4 N 1.41 7.12 0.00 1.36 0.01 -1.26 -4.94 113.70 117.39 2mip s SER 4 Ca 0.06 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2mip s SER 4 Cb -0.18 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2mip s SER 4 CO -0.15 -0.37 0.25 0.18 0.41 0.00 0.00 173.24 173.56 2mip n LEU 5 N 4.85 0.60 -0.07 2.44 4.77 -1.26 -4.26 117.00 124.07 2mip n LEU 5 Ca 0.06 -0.30 0.04 0.00 -0.03 0.00 0.00 56.01 55.77 2mip n LEU 5 Cb 0.49 -0.21 0.38 0.00 -2.33 0.00 0.00 43.42 41.75 2mip n LEU 5 CO 0.50 0.13 1.19 -0.50 -1.33 0.00 0.00 177.39 177.38 2mip h TRP 6 N 0.73 0.65 -1.69 -1.77 6.55 -2.04 -3.42 115.95 114.94 2mip h TRP 6 Ca 0.00 0.02 -0.58 0.00 0.95 0.00 0.00 58.89 59.28 2mip h TRP 6 Cb 0.25 -0.22 -0.09 0.00 -0.86 0.00 0.00 29.16 28.24 2mip h TRP 6 CO 0.00 0.40 -0.54 0.15 -1.05 0.00 0.00 178.44 177.40 2mip s LYS 7 N -5.60 2.17 0.24 0.49 1.02 -1.26 -5.08 119.74 111.72 2mip s LYS 7 Ca -0.09 -1.84 -0.31 0.00 0.02 0.00 0.00 55.97 53.75 2mip s LYS 7 Cb 0.18 -1.94 -0.12 0.00 -0.52 0.00 0.00 37.83 35.43 2mip s LYS 7 CO 0.75 -0.04 1.67 0.54 -0.92 0.00 0.00 175.35 177.35 2mip n ARG 8 N -1.13 2.74 -2.53 1.68 1.74 -1.26 -4.86 116.66 113.04 2mip n ARG 8 Ca -0.02 0.98 -0.40 0.00 -0.77 0.00 0.00 57.85 57.64 2mip n ARG 8 Cb 0.64 -2.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.25 2mip n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2mip s PRO 9 N 0.45 3.51 0.12 5.56 0.04 -1.26 -4.92 135.00 138.49 2mip s PRO 9 Ca 0.70 -1.02 0.06 0.00 0.04 0.00 0.00 61.00 60.78 2mip s PRO 9 Cb -0.50 -5.27 -0.04 0.00 0.04 0.00 0.00 34.50 28.72 2mip s PRO 9 CO 0.39 -2.27 0.00 0.08 0.04 0.00 0.00 177.00 175.24 2mip s VAL 10 N 5.32 3.94 0.18 -0.36 1.01 -1.26 -1.70 120.40 127.53 2mip s VAL 10 Ca 0.47 -1.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2mip s VAL 10 Cb -0.01 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2mip s VAL 10 CO -0.08 0.05 0.20 0.68 0.00 0.00 0.00 175.10 175.95 2mip s VAL 11 N -1.43 0.04 -0.22 2.92 -7.23 -0.59 -5.00 120.40 108.89 2mip s VAL 11 Ca 0.26 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 2mip s VAL 11 Cb -0.11 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2mip s VAL 11 CO 0.18 -0.20 0.25 -0.89 -0.31 0.00 0.00 175.10 174.14 2mip s THR 12 N -4.06 5.30 0.22 5.32 2.01 -1.26 -0.66 115.64 122.51 2mip s THR 12 Ca 0.27 0.38 0.11 0.00 0.31 0.00 0.00 61.69 62.76 2mip s THR 12 Cb 0.05 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 2mip s THR 12 CO 0.06 0.31 -0.17 0.00 -0.69 0.00 0.00 174.62 174.13 2mip s ALA 13 N 1.14 2.75 -0.31 7.40 0.00 0.91 -4.46 121.76 129.19 2mip s ALA 13 Ca 0.12 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 2mip s ALA 13 Cb -0.14 -0.44 0.06 0.00 0.00 0.00 0.00 23.12 22.61 2mip s ALA 13 CO 0.06 0.38 0.02 0.71 0.00 0.00 0.00 175.76 176.93 2mip s TYR 14 N -1.99 3.35 -0.49 0.00 2.02 0.23 -0.91 117.35 119.56 2mip s TYR 14 Ca 0.25 -2.10 -0.16 0.00 -0.37 0.00 0.00 57.07 54.70 2mip s TYR 14 Cb -0.07 -2.32 0.08 0.00 -0.40 0.00 0.00 41.96 39.25 2mip s TYR 14 CO 0.13 -0.85 0.45 0.42 -1.57 0.00 0.00 175.55 174.14 2mip s ILE 15 N 1.19 5.16 -1.26 2.71 1.01 -0.51 -1.25 121.20 128.26 2mip s ILE 15 Ca -0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 2mip s ILE 15 Cb -0.20 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2mip s ILE 15 CO -0.03 -0.67 0.85 -0.62 0.00 0.00 0.00 174.94 174.48 2mip n GLU 16 N 5.39 -5.80 -0.70 2.79 -0.58 0.71 -2.31 120.64 120.14 2mip n GLU 16 Ca -0.12 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 2mip n GLU 16 Cb 0.43 -5.53 0.00 0.00 -0.57 0.00 0.00 31.44 25.78 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 -1.36 0.12 3.57 0.62 0.00 -1.26 -4.98 105.19 101.90 2mip n GLY 17 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2mip n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2mip s GLN 18 N -1.13 3.71 0.04 1.61 -0.21 -0.98 -5.04 119.66 117.67 2mip s GLN 18 Ca 0.00 -0.12 -0.30 0.00 0.02 0.00 0.00 55.36 54.96 2mip s GLN 18 Cb 0.00 -3.77 -0.05 0.00 1.00 0.00 0.00 33.01 30.19 2mip s GLN 18 CO 0.00 -0.55 1.18 -1.25 -2.12 0.00 0.00 175.29 172.55 2mip s PRO 19 N 2.29 4.43 0.05 2.91 0.04 -1.26 -1.42 135.00 142.04 2mip s PRO 19 Ca 0.18 1.73 0.06 0.00 0.04 0.00 0.00 61.00 63.01 2mip s PRO 19 Cb -0.16 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 2mip s PRO 19 CO 0.12 -0.26 -0.17 0.08 0.04 0.00 0.00 177.00 176.80 2mip s VAL 20 N 1.19 1.40 -0.35 -0.36 1.01 -0.09 -4.96 120.40 118.23 2mip s VAL 20 Ca 0.58 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2mip s VAL 20 Cb -0.28 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 2mip s VAL 20 CO 0.28 0.08 0.30 -1.61 0.00 0.00 0.00 175.10 174.15 2mip s GLU 21 N -1.23 3.42 0.08 2.72 0.41 -1.26 -0.06 118.70 122.78 2mip s GLU 21 Ca 0.04 -0.63 0.09 0.00 -0.41 0.00 0.00 54.97 54.06 2mip s GLU 21 Cb -0.08 -3.84 -0.04 0.00 -1.78 0.00 0.00 34.13 28.39 2mip s GLU 21 CO 0.02 -0.54 -0.21 0.14 -0.49 0.00 0.00 175.26 174.18 2mip s VAL 22 N 1.84 2.62 -0.27 2.63 -7.23 0.17 -4.41 120.40 115.75 2mip s VAL 22 Ca 0.08 -1.42 -0.15 0.00 -1.81 0.00 0.00 61.98 58.68 2mip s VAL 22 Cb -0.17 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2mip s VAL 22 CO 0.11 0.22 0.37 -0.22 -0.31 0.00 0.00 175.10 175.26 2mip s LEU 23 N -1.76 4.04 -0.27 1.32 2.96 0.12 -1.54 118.68 123.54 2mip s LEU 23 Ca 0.15 0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 2mip s LEU 23 Cb -0.10 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 2mip s LEU 23 CO 0.07 -0.18 1.36 -0.76 -1.32 0.00 0.00 176.35 175.52 2mip s LEU 24 N 2.06 3.91 -0.24 -0.68 1.43 -0.69 0.50 118.68 124.97 2mip s LEU 24 Ca 0.15 1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2mip s LEU 24 Cb -0.16 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.59 2mip s LEU 24 CO 0.10 -1.09 -0.01 -0.62 0.23 0.00 0.00 176.35 174.97 2mip s ASP 25 N 2.99 3.73 0.00 2.29 -1.08 0.18 -4.76 116.67 120.03 2mip s ASP 25 Ca 0.59 -1.23 0.12 0.00 -0.52 0.00 0.00 52.55 51.51 2mip s ASP 25 Cb -0.19 -1.04 0.69 0.00 -1.46 0.00 0.00 42.92 40.92 2mip s ASP 25 CO 0.24 -0.29 1.38 0.35 0.52 0.00 0.00 175.17 177.37 2mip n THR 26 N 4.75 0.00 -0.36 1.71 -2.24 -1.26 -2.99 114.28 113.89 2mip n THR 26 Ca -0.09 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.75 2mip n THR 26 Cb 0.44 -0.23 0.16 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.59 3.11 3.22 3.38 0.00 -1.26 -4.91 105.19 109.31 2mip n GLY 27 Ca 0.09 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.44 1.86 0.03 4.61 0.00 -1.16 -5.04 121.76 120.62 2mip s ALA 28 Ca 0.26 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.36 2mip s ALA 28 Cb 0.16 -0.56 -0.24 0.00 0.00 0.00 0.00 23.12 22.49 2mip s ALA 28 CO 0.13 0.38 0.96 -0.44 0.00 0.00 0.00 175.76 176.79 2mip h ASP 29 N 5.98 0.15 -1.63 0.00 3.32 -1.92 -1.59 116.42 120.72 2mip h ASP 29 Ca -0.35 -0.21 -0.62 0.00 0.02 0.00 0.00 57.03 55.88 2mip h ASP 29 Cb 1.16 -0.05 -0.13 0.00 0.22 0.00 0.00 39.33 40.53 2mip h ASP 29 CO 0.47 1.17 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.83 2mip s ASP 30 N -6.66 3.53 -0.20 6.45 1.01 -1.26 -3.42 116.67 116.13 2mip s ASP 30 Ca -0.04 -1.62 -0.01 0.00 0.71 0.00 0.00 52.55 51.58 2mip s ASP 30 Cb 0.08 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.42 2mip s ASP 30 CO 0.83 -0.83 -0.12 -0.44 0.21 0.00 0.00 175.17 174.82 2mip s SER 31 N -3.74 3.73 -0.10 0.27 0.01 -1.26 -3.36 113.70 109.25 2mip s SER 31 Ca 0.17 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.95 2mip s SER 31 Cb 0.03 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.66 2mip s SER 31 CO 0.09 -0.00 -0.21 -0.51 0.41 0.00 0.00 173.24 173.02 2mip s ILE 32 N 1.34 1.83 0.02 1.44 2.07 -0.45 -1.76 121.20 125.69 2mip s ILE 32 Ca 0.05 -0.87 0.05 0.00 -1.41 0.00 0.00 60.65 58.46 2mip s ILE 32 Cb -0.14 -1.61 -0.02 0.00 0.13 0.00 0.00 42.46 40.83 2mip s ILE 32 CO -0.07 0.51 -0.14 0.68 -1.91 0.00 0.00 174.94 174.01 2mip s VAL 33 N 0.54 1.09 0.44 4.00 -7.23 -0.36 0.81 120.40 119.70 2mip s VAL 33 Ca -0.15 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.28 2mip s VAL 33 Cb -0.17 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2mip s VAL 33 CO 0.05 0.14 0.19 0.00 -0.31 0.00 0.00 175.10 175.17 2mip s ALA 34 N -0.61 3.71 -1.48 1.32 0.00 -1.26 -3.11 121.76 120.33 2mip s ALA 34 Ca 0.03 -1.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.00 2mip s ALA 34 Cb -0.07 -0.37 0.06 0.00 0.00 0.00 0.00 23.12 22.75 2mip s ALA 34 CO 0.00 -0.19 0.95 0.41 0.00 0.00 0.00 175.76 176.94 2mip n GLY 35 N -1.29 -0.46 2.96 0.00 0.00 -1.26 -4.98 105.19 100.16 2mip n GLY 35 Ca -0.03 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2mip n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2mip s ILE 36 N -3.37 0.02 -0.33 -0.61 2.07 -1.26 -5.13 121.20 112.58 2mip s ILE 36 Ca 0.53 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.63 2mip s ILE 36 Cb -0.26 -0.15 0.08 0.00 0.13 0.00 0.00 42.46 42.26 2mip s ILE 36 CO 0.82 -0.08 0.05 -1.61 -1.91 0.00 0.00 174.94 172.21 2mip s GLU 37 N -0.23 2.02 0.00 3.50 0.41 -1.26 -4.98 118.70 118.16 2mip s GLU 37 Ca -0.03 -1.60 0.16 0.00 -0.41 0.00 0.00 54.97 53.09 2mip s GLU 37 Cb -0.02 -3.25 -0.13 0.00 -1.78 0.00 0.00 34.13 28.94 2mip s GLU 37 CO 0.00 -0.82 0.73 1.28 -0.49 0.00 0.00 175.26 175.96 2mip n LEU 38 N 4.48 0.99 0.00 1.80 4.77 -1.26 -5.12 117.00 122.66 2mip n LEU 38 Ca -0.06 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2mip n LEU 38 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2mip n LEU 38 CO 0.26 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2mip n GLY 39 N 1.33 3.21 0.11 -0.72 0.00 -1.26 -4.88 105.19 102.98 2mip n GLY 39 Ca 0.04 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.35 2mip n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2mip n ASN 40 N 0.00 0.58 -4.39 1.61 4.13 -1.26 -4.51 115.26 111.43 2mip n ASN 40 Ca 0.00 -0.46 -0.45 0.00 1.68 0.00 0.00 54.58 55.35 2mip n ASN 40 Cb 0.00 0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.25 2mip n ASN 40 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2mip s ASN 41 N -2.68 6.92 0.22 6.41 2.47 -1.26 -4.94 114.94 122.09 2mip s ASN 41 Ca 0.21 -2.80 -0.00 0.00 0.42 0.00 0.00 52.86 50.69 2mip s ASN 41 Cb 0.19 -2.29 -0.04 0.00 -1.45 0.00 0.00 41.25 37.66 2mip s ASN 41 CO 0.55 -0.66 0.16 -0.72 -3.72 0.00 0.00 177.10 172.72 2mip s TYR 42 N 0.70 1.23 -0.09 0.43 -0.85 -1.26 -4.72 117.35 112.79 2mip s TYR 42 Ca 0.29 -1.41 0.02 0.00 -0.52 0.00 0.00 57.07 55.46 2mip s TYR 42 Cb -0.07 -0.56 0.01 0.00 0.38 0.00 0.00 41.96 41.72 2mip s TYR 42 CO -0.07 -0.69 -0.15 -1.12 -1.52 0.00 0.00 175.55 172.00 2mip s SER 43 N -3.19 2.29 0.29 -0.18 0.01 -1.11 -4.84 113.70 106.96 2mip s SER 43 Ca 0.39 -0.40 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 2mip s SER 43 Cb 0.06 -1.04 -0.11 0.00 0.21 0.00 0.00 66.02 65.14 2mip s SER 43 CO 0.14 0.04 1.54 -2.84 0.41 0.00 0.00 173.24 172.54 2mip s PRO 44 N 0.78 4.16 0.18 12.44 0.02 -1.26 0.02 135.00 151.34 2mip s PRO 44 Ca -0.11 2.51 0.07 0.00 0.02 0.00 0.00 61.00 63.49 2mip s PRO 44 Cb -0.16 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 2mip s PRO 44 CO 0.02 -0.57 -0.14 0.15 -0.33 0.00 0.00 177.00 176.13 2mip s LYS 45 N -0.64 1.23 0.12 5.54 -0.14 -0.52 -4.87 119.74 120.46 2mip s LYS 45 Ca 0.61 -1.49 0.08 0.00 -1.36 0.00 0.00 55.97 53.81 2mip s LYS 45 Cb -0.46 -1.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.62 2mip s LYS 45 CO 0.48 0.17 -0.11 0.42 -0.76 0.00 0.00 175.35 175.56 2mip s ILE 46 N -2.79 3.27 -0.14 2.17 1.01 -1.26 -1.22 121.20 122.23 2mip s ILE 46 Ca 0.19 -1.35 -0.23 0.00 0.00 0.00 0.00 60.65 59.25 2mip s ILE 46 Cb -0.01 -2.54 0.06 0.00 0.01 0.00 0.00 42.46 39.98 2mip s ILE 46 CO 0.05 0.08 0.58 0.54 0.00 0.00 0.00 174.94 176.19 2mip s VAL 47 N -1.26 0.01 0.22 2.92 0.11 -0.83 -4.92 120.40 116.65 2mip s VAL 47 Ca 0.21 -0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.29 2mip s VAL 47 Cb -0.11 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2mip s VAL 47 CO 0.13 -0.04 -0.11 -0.83 -3.33 0.00 0.00 175.10 170.92 2mip s GLY 48 N -0.38 1.74 0.00 6.54 0.00 -1.26 -0.56 107.32 113.40 2mip s GLY 48 Ca -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.04 2mip s GLY 48 CO 0.04 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.08 2mip n GLY 49 N -0.31 5.32 0.28 0.20 0.00 -0.22 -4.99 105.19 105.46 2mip n GLY 49 Ca -0.09 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 1.24 -0.57 -0.61 6.09 -2.01 -3.17 117.51 118.48 2mip h ILE 50 Ca 0.00 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 2mip h ILE 50 Cb 0.00 0.56 0.00 0.00 0.47 0.00 0.00 36.82 37.85 2mip h ILE 50 CO 0.00 0.30 0.00 0.61 -3.07 0.00 0.00 178.15 175.99 2mip n GLY 51 N -0.79 2.99 0.00 8.18 0.00 -1.26 -5.06 105.19 109.26 2mip n GLY 51 Ca 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2mip n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2mip n GLY 52 N 0.74 0.26 3.89 -0.02 0.00 -1.20 -5.09 105.19 103.77 2mip n GLY 52 Ca 0.26 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 3.56 0.25 1.61 0.08 -1.26 -1.06 117.98 121.17 2mip s PHE 53 Ca 0.00 0.55 0.09 0.00 0.12 0.00 0.00 56.93 57.69 2mip s PHE 53 Cb 0.00 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 2mip s PHE 53 CO 0.00 0.59 -0.14 0.96 -0.10 0.00 0.00 175.22 176.53 2mip s ILE 54 N -1.35 2.00 -0.14 0.64 -4.36 0.28 -4.97 121.20 113.30 2mip s ILE 54 Ca 0.29 -2.26 -0.05 0.00 -0.26 0.00 0.00 60.65 58.38 2mip s ILE 54 Cb -0.13 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 2mip s ILE 54 CO 0.18 -0.45 0.03 0.20 0.24 0.00 0.00 174.94 175.14 2mip s ASN 55 N -3.43 5.41 0.43 4.36 -0.87 -1.26 -1.97 114.94 117.62 2mip s ASN 55 Ca 0.27 0.11 0.02 0.00 -1.57 0.00 0.00 52.86 51.69 2mip s ASN 55 Cb -0.01 -1.76 -0.01 0.00 -0.02 0.00 0.00 41.25 39.45 2mip s ASN 55 CO 0.11 0.27 0.08 0.35 -2.57 0.00 0.00 177.10 175.34 2mip n THR 56 N 2.86 0.00 -4.03 1.60 -2.24 -0.36 -4.61 114.28 107.51 2mip n THR 56 Ca -0.18 -2.28 -0.30 0.00 -2.27 0.00 0.00 64.05 59.03 2mip n THR 56 Cb 0.53 0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 69.26 2mip n THR 56 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2mip s LYS 57 N -3.60 2.20 -0.21 -0.78 1.02 -0.37 -1.43 119.74 116.56 2mip s LYS 57 Ca 0.11 -0.52 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 2mip s LYS 57 Cb 0.01 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2mip s LYS 57 CO 0.08 -0.23 0.31 -2.00 -0.92 0.00 0.00 175.35 172.58 2mip s GLU 58 N 1.49 4.14 -0.21 1.68 2.12 0.10 -1.59 118.70 126.44 2mip s GLU 58 Ca 0.04 0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.32 2mip s GLU 58 Cb -0.13 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2mip s GLU 58 CO -0.10 0.01 0.09 0.71 -0.54 0.00 0.00 175.26 175.43 2mip s TYR 59 N 1.17 3.23 0.24 5.30 2.02 0.31 -2.77 117.35 126.85 2mip s TYR 59 Ca 0.15 0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 2mip s TYR 59 Cb -0.14 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 2mip s TYR 59 CO 0.06 0.01 0.44 0.15 -1.57 0.00 0.00 175.55 174.65 2mip s LYS 60 N 0.85 3.53 -1.76 -0.62 -0.14 -1.26 -0.47 119.74 119.87 2mip s LYS 60 Ca 0.05 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 2mip s LYS 60 Cb -0.13 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.23 2mip s LYS 60 CO 0.03 0.33 0.00 -1.71 -0.76 0.00 0.00 175.35 173.23 2mip n ASN 61 N -0.95 -5.36 -4.77 2.83 2.85 -1.24 -4.87 115.26 103.75 2mip n ASN 61 Ca -0.05 0.17 -0.40 0.00 -0.11 0.00 0.00 54.58 54.19 2mip n ASN 61 Cb 0.54 -4.45 -0.01 0.00 1.24 0.00 0.00 39.78 37.11 2mip n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2mip s VAL 62 N -2.84 2.43 -0.20 3.44 1.01 0.12 -4.47 120.40 119.89 2mip s VAL 62 Ca 0.00 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 2mip s VAL 62 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2mip s VAL 62 CO 0.00 0.09 0.45 -0.70 0.00 0.00 0.00 175.10 174.94 2mip s GLU 63 N -2.02 4.19 -0.03 2.72 2.12 -1.26 -0.32 118.70 124.10 2mip s GLU 63 Ca 0.52 0.29 0.02 0.00 0.36 0.00 0.00 54.97 56.17 2mip s GLU 63 Cb -0.42 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.44 2mip s GLU 63 CO 0.56 -0.07 -0.08 0.42 -0.54 0.00 0.00 175.26 175.56 2mip s ILE 64 N 1.39 0.70 -0.30 -3.70 1.01 0.40 -0.21 121.20 120.49 2mip s ILE 64 Ca 0.21 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2mip s ILE 64 Cb -0.15 -0.64 0.08 0.00 0.01 0.00 0.00 42.46 41.76 2mip s ILE 64 CO 0.09 0.23 -0.01 -0.70 0.00 0.00 0.00 174.94 174.55 2mip s GLU 65 N 0.32 1.66 -0.08 2.79 -6.30 -0.38 -0.50 118.70 116.21 2mip s GLU 65 Ca -0.05 -1.54 -0.01 0.00 -2.50 0.00 0.00 54.97 50.87 2mip s GLU 65 Cb -0.09 -2.94 0.03 0.00 0.00 0.00 0.00 34.13 31.12 2mip s GLU 65 CO 0.00 -0.79 -0.04 0.54 0.02 0.00 0.00 175.26 175.00 2mip s VAL 66 N 1.08 0.66 -0.91 3.70 0.11 -0.31 0.75 120.40 125.47 2mip s VAL 66 Ca 0.03 -0.08 -0.04 0.00 -2.93 0.00 0.00 61.98 58.96 2mip s VAL 66 Cb -0.19 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2mip s VAL 66 CO -0.08 0.30 0.82 0.18 -3.33 0.00 0.00 175.10 172.98 2mip n LEU 67 N 4.90 -5.91 0.00 2.54 4.32 -1.26 -2.12 117.00 119.48 2mip n LEU 67 Ca -0.12 -0.47 0.00 0.00 -0.02 0.00 0.00 56.01 55.40 2mip n LEU 67 Cb 0.50 -3.16 0.00 0.00 -1.62 0.00 0.00 43.42 39.14 2mip n LEU 67 CO 0.15 -0.31 0.00 -3.20 -1.22 0.00 0.00 177.39 172.81 2mip n ASN 68 N -2.68 -5.16 -4.18 -1.43 2.85 -1.26 -4.94 115.26 98.46 2mip n ASN 68 Ca -0.04 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.17 2mip n ASN 68 Cb 0.58 -3.31 -0.16 0.00 1.24 0.00 0.00 39.78 38.13 2mip n ASN 68 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2mip s LYS 69 N -1.83 1.58 -0.18 1.20 1.02 -0.90 -5.10 119.74 115.53 2mip s LYS 69 Ca 0.00 -0.66 -0.04 0.00 0.02 0.00 0.00 55.97 55.29 2mip s LYS 69 Cb 0.00 -1.49 -0.02 0.00 -0.52 0.00 0.00 37.83 35.80 2mip s LYS 69 CO 0.00 0.37 -0.03 0.15 -0.92 0.00 0.00 175.35 174.92 2mip s LYS 70 N -0.34 3.59 0.05 1.68 1.02 -1.26 -1.17 119.74 123.31 2mip s LYS 70 Ca 0.05 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 2mip s LYS 70 Cb -0.08 -2.98 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2mip s LYS 70 CO -0.00 0.08 0.07 0.54 -0.92 0.00 0.00 175.35 175.12 2mip s VAL 71 N 0.78 0.16 0.25 3.17 0.11 0.35 -4.99 120.40 120.22 2mip s VAL 71 Ca -0.01 -1.28 0.06 0.00 -2.93 0.00 0.00 61.98 57.82 2mip s VAL 71 Cb -0.14 -1.09 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 2mip s VAL 71 CO 0.02 -0.71 0.28 -0.13 -3.33 0.00 0.00 175.10 171.23 2mip s ARG 72 N -3.08 3.17 0.00 1.54 1.81 -1.25 -0.45 118.95 120.69 2mip s ARG 72 Ca -0.01 -0.92 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 2mip s ARG 72 Cb 0.02 -2.72 0.00 0.00 -0.45 0.00 0.00 34.95 31.79 2mip s ARG 72 CO -0.07 0.40 0.00 0.00 -0.68 0.00 0.00 175.30 174.95 2mip n ALA 73 N -1.31 0.00 -2.64 2.13 0.00 0.57 -4.88 120.51 114.38 2mip n ALA 73 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 2mip n ALA 73 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 2mip n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2mip s THR 74 N -2.00 4.67 -0.03 0.00 2.01 -1.26 0.15 115.64 119.18 2mip s THR 74 Ca 0.00 1.92 0.03 0.00 0.31 0.00 0.00 61.69 63.95 2mip s THR 74 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.28 2mip s THR 74 CO 0.00 0.12 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.31 2mip s ILE 75 N 1.20 0.98 0.06 1.82 1.01 0.37 -4.53 121.20 122.12 2mip s ILE 75 Ca 0.53 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2mip s ILE 75 Cb -0.22 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2mip s ILE 75 CO 0.27 0.30 -0.09 -0.04 0.00 0.00 0.00 174.94 175.38 2mip s MET 76 N 0.16 2.31 -0.07 2.79 -1.94 -0.72 0.11 119.30 121.94 2mip s MET 76 Ca -0.03 -0.90 0.05 0.00 -1.71 0.00 0.00 55.69 53.10 2mip s MET 76 Cb -0.10 -2.38 -0.01 0.00 2.01 0.00 0.00 34.83 34.35 2mip s MET 76 CO 0.01 0.55 -0.24 0.95 -0.01 0.00 0.00 175.02 176.28 2mip s THR 77 N -1.12 1.99 -0.03 2.05 -4.23 -0.62 -1.22 115.64 112.46 2mip s THR 77 Ca 0.20 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.40 2mip s THR 77 Cb -0.11 -1.70 0.11 0.00 1.34 0.00 0.00 72.50 72.14 2mip s THR 77 CO 0.11 0.55 1.31 -0.83 -0.54 0.00 0.00 174.62 175.22 2mip s GLY 78 N 0.03 -0.25 -0.65 3.99 0.00 -1.18 -1.24 107.32 108.01 2mip s GLY 78 Ca -0.09 0.33 -0.27 0.00 0.00 0.00 0.00 44.72 44.69 2mip s GLY 78 CO 0.05 3.62 1.65 -0.35 0.00 0.00 0.00 173.10 178.08 2mip s ASP 79 N -3.51 5.60 -0.02 1.64 -1.08 -1.26 -4.16 116.67 113.89 2mip s ASP 79 Ca 0.24 0.07 0.01 0.00 -0.52 0.00 0.00 52.55 52.35 2mip s ASP 79 Cb 0.02 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.95 2mip s ASP 79 CO -0.02 -2.17 -0.02 0.28 0.52 0.00 0.00 175.17 173.75 2mip s THR 80 N 7.85 0.24 0.05 1.71 -1.32 -1.26 -5.03 115.64 117.87 2mip s THR 80 Ca 0.56 -0.04 0.14 0.00 -1.21 0.00 0.00 61.69 61.14 2mip s THR 80 Cb -0.11 -0.26 0.03 0.00 -1.51 0.00 0.00 72.50 70.65 2mip s THR 80 CO 0.19 0.11 1.53 1.55 -2.21 0.00 0.00 174.62 175.79 2mip h PRO 81 N 6.65 0.00 -4.89 7.08 0.13 -1.98 -3.43 132.00 135.56 2mip h PRO 81 Ca -0.35 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.26 2mip h PRO 81 Cb 1.17 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.98 2mip h PRO 81 CO 0.49 0.56 -0.82 0.42 -0.23 0.00 0.00 178.00 178.42 2mip s ILE 82 N -3.20 1.23 0.31 -3.56 1.01 -1.26 -5.09 121.20 110.64 2mip s ILE 82 Ca 0.02 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.81 2mip s ILE 82 Cb 0.10 -1.08 -0.09 0.00 0.01 0.00 0.00 42.46 41.39 2mip s ILE 82 CO 0.74 0.37 1.06 0.20 0.00 0.00 0.00 174.94 177.31 2mip s ASN 83 N 0.32 7.17 -0.04 3.58 0.01 -1.26 -4.92 114.94 119.79 2mip s ASN 83 Ca -0.08 2.16 0.04 0.00 -0.71 0.00 0.00 52.86 54.27 2mip s ASN 83 Cb -0.13 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.92 2mip s ASN 83 CO 0.03 -0.21 -0.16 0.27 -1.51 0.00 0.00 177.10 175.52 2mip s ILE 84 N -1.32 1.37 -0.43 0.60 -5.25 0.24 0.11 121.20 116.53 2mip s ILE 84 Ca 0.48 -0.68 -0.10 0.00 -0.99 0.00 0.00 60.65 59.36 2mip s ILE 84 Cb -0.28 -1.18 0.08 0.00 2.95 0.00 0.00 42.46 44.03 2mip s ILE 84 CO 0.36 0.40 0.28 -0.36 -1.79 0.00 0.00 174.94 173.83 2mip s PHE 85 N 0.06 3.33 0.44 1.37 0.40 0.18 -1.34 117.98 122.43 2mip s PHE 85 Ca -0.04 -1.49 -0.07 0.00 -0.60 0.00 0.00 56.93 54.74 2mip s PHE 85 Cb -0.11 -3.04 0.10 0.00 0.51 0.00 0.00 43.02 40.48 2mip s PHE 85 CO 0.02 -0.86 0.60 0.41 0.70 0.00 0.00 175.22 176.09 2mip n GLY 86 N 4.95 -0.98 0.26 4.36 0.00 -1.21 -0.64 105.19 111.92 2mip n GLY 86 Ca -0.10 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.23 2mip n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2mip h ARG 87 N 0.00 0.16 -0.54 1.61 3.08 -1.39 -1.90 114.38 115.41 2mip h ARG 87 Ca -0.19 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 59.97 2mip h ARG 87 Cb 0.56 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 2mip h ARG 87 CO 0.15 0.20 0.38 -2.95 -1.07 0.00 0.00 179.97 176.68 2mip h ASN 88 N 0.16 0.09 0.05 7.04 -1.07 -1.82 -1.35 115.58 118.67 2mip h ASN 88 Ca 0.04 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 56.03 2mip h ASN 88 Cb 0.16 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 36.34 2mip h ASN 88 CO 0.01 0.05 -2.30 -0.38 0.07 0.00 0.00 177.43 174.88 2mip n ILE 89 N -4.41 1.60 -0.34 6.14 5.41 -0.80 -3.82 119.36 123.14 2mip n ILE 89 Ca 0.10 -0.59 0.07 0.00 1.00 0.00 0.00 62.75 63.33 2mip n ILE 89 Cb 0.55 -1.55 0.24 0.00 -0.71 0.00 0.00 39.64 38.17 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 0.00 0.82 -0.21 1.39 4.07 -1.18 0.25 115.31 120.45 2mip h LEU 90 Ca -0.52 0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.40 2mip h LEU 90 Cb 1.94 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 43.58 2mip h LEU 90 CO -0.03 0.41 -0.24 0.71 -1.08 0.00 0.00 178.44 178.21 2mip h THR 91 N 0.89 1.33 -0.76 0.22 1.35 -1.45 0.13 112.91 114.61 2mip h THR 91 Ca 0.49 -1.42 0.18 0.00 -0.55 0.00 0.00 66.41 65.11 2mip h THR 91 Cb 0.55 1.76 -0.12 0.00 -1.73 0.00 0.00 68.15 68.61 2mip h THR 91 CO -0.29 0.44 0.15 0.00 -0.25 0.00 0.00 175.52 175.57 2mip h ALA 92 N 0.64 0.97 -0.00 6.62 0.00 -1.10 0.39 119.26 126.78 2mip h ALA 92 Ca 0.03 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2mip h ALA 92 Cb 0.80 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2mip h ALA 92 CO 0.06 -0.38 -0.01 1.28 0.00 0.00 0.00 179.25 180.20 2mip n LEU 93 N -5.21 0.01 -1.98 0.00 4.77 0.67 -4.93 117.00 110.34 2mip n LEU 93 Ca 0.15 0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 2mip n LEU 93 Cb 0.50 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.30 2mip n LEU 93 CO 0.10 0.00 0.12 0.61 -1.33 0.00 0.00 177.39 176.89 2mip n GLY 94 N 1.33 0.24 3.95 -0.72 0.00 0.14 -5.02 105.19 105.11 2mip n GLY 94 Ca 0.13 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.59 3.01 -0.04 1.61 -1.94 0.38 -5.01 119.30 111.72 2mip s MET 95 Ca 0.27 -0.43 -0.21 0.00 -1.71 0.00 0.00 55.69 53.60 2mip s MET 95 Cb -0.12 -2.51 0.04 0.00 2.01 0.00 0.00 34.83 34.26 2mip s MET 95 CO 0.35 -0.37 0.47 -1.54 -0.01 0.00 0.00 175.02 173.92 2mip s SER 96 N -4.25 -0.40 -0.03 3.03 1.04 -1.26 -4.75 113.70 107.09 2mip s SER 96 Ca 0.50 0.39 -0.21 0.00 0.48 0.00 0.00 55.95 57.11 2mip s SER 96 Cb -0.10 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 2mip s SER 96 CO 0.39 -0.50 0.62 -0.76 0.98 0.00 0.00 173.24 173.97 2mip s LEU 97 N -1.17 4.37 0.06 2.42 1.43 -1.26 -5.05 118.68 119.47 2mip s LEU 97 Ca -0.12 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2mip s LEU 97 Cb -0.03 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 2mip s LEU 97 CO 0.06 0.02 -0.08 0.20 0.23 0.00 0.00 176.35 176.78 2mip s ASN 98 N 0.19 1.01 0.00 2.29 -0.87 -1.26 -5.29 114.94 111.01 2mip s ASN 98 Ca 0.33 -0.64 0.00 0.00 -1.57 0.00 0.00 52.86 50.98 2mip s ASN 98 Cb -0.18 0.04 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 2mip s ASN 98 CO 0.17 -0.23 0.08 -0.11 -2.57 0.00 0.00 177.10 174.43