#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4x s SER 2 N 0.00 1.61 -0.99 1.61 0.15 -1.26 -4.89 113.70 109.93 1x4x s SER 2 Ca 0.00 1.13 -0.23 0.00 0.70 0.00 0.00 55.95 57.55 1x4x s SER 2 Cb 0.00 -1.75 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1x4x s SER 2 CO 0.00 -3.75 1.59 -0.55 1.20 0.00 0.00 173.24 171.72 1x4x s SER 3 N -3.27 6.14 0.00 5.45 0.15 -1.26 -4.72 113.70 116.19 1x4x s SER 3 Ca 0.67 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1x4x s SER 3 Cb -0.19 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1x4x s SER 3 CO 0.59 -1.84 0.00 0.61 1.20 0.00 0.00 173.24 173.80 1x4x n GLY 4 N 6.86 -0.02 0.23 9.45 0.00 -1.26 -4.58 105.19 115.86 1x4x n GLY 4 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1x4x n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x4x h SER 5 N 0.00 -0.51 -3.61 1.61 0.02 -1.98 -3.35 113.55 105.73 1x4x h SER 5 Ca 0.00 0.18 -0.70 0.00 -0.84 0.00 0.00 61.79 60.42 1x4x h SER 5 Cb 0.00 0.35 -0.25 0.00 0.14 0.00 0.00 62.40 62.64 1x4x h SER 5 CO 0.00 -0.19 -0.54 -0.44 -1.14 0.00 0.00 176.83 174.53 1x4x s SER 6 N -5.23 5.63 0.00 3.07 0.01 -1.26 -4.97 113.70 110.95 1x4x s SER 6 Ca -0.14 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1x4x s SER 6 Cb 0.19 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.43 1x4x s SER 6 CO 0.73 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1x4x n GLY 7 N 4.96 2.21 3.58 3.44 0.00 -1.26 -4.80 105.19 113.32 1x4x n GLY 7 Ca -0.12 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1x4x n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4x s PRO 8 N -4.17 -1.49 0.53 1.61 0.04 -1.26 -4.38 135.00 125.88 1x4x s PRO 8 Ca 0.00 -0.16 -0.06 0.00 0.04 0.00 0.00 61.00 60.81 1x4x s PRO 8 Cb 0.00 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 1x4x s PRO 8 CO 0.00 -3.87 0.85 -0.51 0.04 0.00 0.00 177.00 173.52 1x4x s ASP 9 N -3.97 6.13 0.56 6.66 1.01 -1.26 -4.80 116.67 121.00 1x4x s ASP 9 Ca 0.72 0.98 -0.18 0.00 0.71 0.00 0.00 52.55 54.78 1x4x s ASP 9 Cb -0.08 -2.19 -0.12 0.00 1.01 0.00 0.00 42.92 41.54 1x4x s ASP 9 CO 0.56 -0.73 0.09 1.67 0.21 0.00 0.00 175.17 176.97 1x4x n GLN 10 N -2.42 0.18 -3.33 8.23 7.27 -1.26 -4.83 117.38 121.22 1x4x n GLN 10 Ca 0.02 0.07 -0.38 0.00 0.07 0.00 0.00 57.00 56.79 1x4x n GLN 10 Cb 0.55 -1.28 -0.06 0.00 2.41 0.00 0.00 30.24 31.87 1x4x n GLN 10 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4x s LYS 12 N 0.55 3.30 0.11 0.00 -0.14 -1.26 -3.87 119.74 118.44 1x4x s LYS 12 Ca 0.25 1.34 -0.31 0.00 -1.36 0.00 0.00 55.97 55.89 1x4x s LYS 12 Cb -0.15 -2.02 -0.08 0.00 -1.68 0.00 0.00 37.83 33.90 1x4x s LYS 12 CO 0.10 -0.84 1.36 -1.25 -0.76 0.00 0.00 175.35 173.96 1x4x s PRO 13 N -3.80 4.34 1.07 -1.68 0.04 -1.26 -4.78 135.00 128.93 1x4x s PRO 13 Ca 0.66 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.59 1x4x s PRO 13 Cb -0.18 -3.26 0.23 0.00 0.04 0.00 0.00 34.50 31.33 1x4x s PRO 13 CO 0.33 -0.40 1.10 -1.25 0.04 0.00 0.00 177.00 176.82 1x4x s PRO 14 N 1.02 -0.19 -0.27 0.56 0.04 -1.26 -4.97 135.00 129.92 1x4x s PRO 14 Ca 0.63 0.30 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 1x4x s PRO 14 Cb -0.36 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1x4x s PRO 14 CO 0.31 -3.10 0.05 -1.14 0.04 0.00 0.00 177.00 173.15 1x4x s GLN 15 N -5.11 3.18 0.18 4.56 0.74 0.27 -4.88 119.66 118.60 1x4x s GLN 15 Ca 0.67 -0.79 -0.14 0.00 0.05 0.00 0.00 55.36 55.16 1x4x s GLN 15 Cb -0.16 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.60 1x4x s GLN 15 CO 0.57 -0.37 0.58 0.14 -0.55 0.00 0.00 175.29 175.66 1x4x s VAL 16 N 1.49 4.83 -0.18 1.34 -7.23 -1.26 -2.35 120.40 117.05 1x4x s VAL 16 Ca 0.03 0.81 -0.05 0.00 -1.81 0.00 0.00 61.98 60.97 1x4x s VAL 16 Cb -0.16 -3.72 0.07 0.00 0.56 0.00 0.00 36.38 33.13 1x4x s VAL 16 CO 0.01 0.16 0.15 -0.89 -0.31 0.00 0.00 175.10 174.22 1x4x s THR 17 N -1.56 -0.20 -1.08 5.32 2.01 0.92 -4.95 115.64 116.09 1x4x s THR 17 Ca 0.41 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 1x4x s THR 17 Cb -0.14 -0.62 -0.11 0.00 0.01 0.00 0.00 72.50 71.65 1x4x s THR 17 CO 0.20 -0.24 1.93 0.00 -0.69 0.00 0.00 174.62 175.81 1x4x h ARG 19 N 9.27 0.24 0.00 0.00 2.47 -1.79 -3.44 114.38 121.13 1x4x h ARG 19 Ca 0.27 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.98 1x4x h ARG 19 Cb 0.87 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1x4x h ARG 19 CO 1.40 0.16 0.21 0.45 0.56 0.00 0.00 179.97 182.75 1x4x n SER 20 N -4.63 -1.29 -0.31 7.04 2.88 -1.00 -4.92 113.62 111.39 1x4x n SER 20 Ca 0.30 -1.85 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 1x4x n SER 20 Cb 1.11 2.13 0.13 0.00 -0.75 0.00 0.00 64.21 66.84 1x4x n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4x h ALA 21 N 2.00 1.18 -0.10 -1.46 0.00 -1.86 -2.72 119.26 116.30 1x4x h ALA 21 Ca -0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1x4x h ALA 21 Cb 0.73 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1x4x h ALA 21 CO 0.24 0.31 -0.10 0.25 0.00 0.00 0.00 179.25 179.95 1x4x n THR 22 N -4.60 2.12 -4.18 0.00 -2.24 -1.26 -3.66 114.28 100.46 1x4x n THR 22 Ca 0.12 -2.43 -0.17 0.00 -2.27 0.00 0.00 64.05 59.30 1x4x n THR 22 Cb 0.16 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1x4x n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4x s ALA 24 N -1.70 -1.23 -0.02 0.00 0.00 0.11 -2.36 121.76 116.55 1x4x s ALA 24 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 1x4x s ALA 24 Cb -0.07 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1x4x s ALA 24 CO 0.02 -0.78 0.09 -1.14 0.00 0.00 0.00 175.76 173.94 1x4x s GLN 25 N -3.82 0.20 0.19 0.00 0.74 0.49 -0.33 119.66 117.13 1x4x s GLN 25 Ca 0.05 -0.05 0.09 0.00 0.05 0.00 0.00 55.36 55.50 1x4x s GLN 25 Cb -0.01 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.14 1x4x s GLN 25 CO -0.08 -0.03 -0.18 0.08 -0.55 0.00 0.00 175.29 174.53 1x4x s VAL 26 N -0.38 1.93 -0.20 1.34 1.01 -0.17 -0.06 120.40 123.87 1x4x s VAL 26 Ca -0.04 -2.03 -0.08 0.00 0.00 0.00 0.00 61.98 59.83 1x4x s VAL 26 Cb -0.03 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.48 1x4x s VAL 26 CO 0.00 -0.35 0.44 0.20 0.00 0.00 0.00 175.10 175.39 1x4x s ASN 27 N -2.87 -0.39 0.41 3.32 -0.87 -0.99 -2.65 114.94 110.91 1x4x s ASN 27 Ca 0.19 1.01 0.01 0.00 -1.57 0.00 0.00 52.86 52.51 1x4x s ASN 27 Cb -0.05 1.25 -0.00 0.00 -0.02 0.00 0.00 41.25 42.42 1x4x s ASN 27 CO 0.08 -0.22 0.05 -2.67 -2.57 0.00 0.00 177.10 171.76 1x4x n TRP 28 N 5.06 0.70 -4.15 2.20 2.14 -0.64 -0.56 117.44 122.18 1x4x n TRP 28 Ca -0.13 -2.22 -0.12 0.00 2.07 0.00 0.00 57.50 57.10 1x4x n TRP 28 Cb 0.51 -0.19 -0.08 0.00 -0.81 0.00 0.00 31.31 30.74 1x4x n TRP 28 CO 0.00 0.00 0.00 -1.83 2.07 0.00 0.00 177.69 177.93 1x4x s GLU 29 N -3.51 1.39 -0.11 -2.67 -1.05 -1.26 -4.74 118.70 106.74 1x4x s GLU 29 Ca 0.07 -1.59 -0.05 0.00 -0.15 0.00 0.00 54.97 53.25 1x4x s GLU 29 Cb 0.00 0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1x4x s GLU 29 CO 0.05 -0.51 0.06 0.08 0.95 0.00 0.00 175.26 175.89 1x4x s VAL 30 N -3.98 4.82 0.00 1.83 1.01 -1.26 -4.78 120.40 118.04 1x4x s VAL 30 Ca 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1x4x s VAL 30 Cb 0.04 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1x4x s VAL 30 CO 0.13 0.59 0.00 -0.81 0.00 0.00 0.00 175.10 175.01 1x4x n PRO 31 N 2.33 -0.86 -3.29 2.72 -0.04 -1.26 -4.98 135.00 129.61 1x4x n PRO 31 Ca -0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 1x4x n PRO 31 Cb 0.54 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 1x4x n PRO 31 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x4x s LEU 32 N 0.00 4.99 -0.01 1.53 1.98 -1.26 -5.01 118.68 120.91 1x4x s LEU 32 Ca 0.00 -0.82 0.01 0.00 -2.89 0.00 0.00 54.13 50.43 1x4x s LEU 32 Cb 0.00 -2.37 0.00 0.00 0.66 0.00 0.00 46.19 44.48 1x4x s LEU 32 CO 0.00 -0.66 -0.02 -0.55 -1.89 0.00 0.00 176.35 173.23 1x4x s SER 33 N 2.11 0.29 -0.02 3.68 0.15 -1.26 -4.49 113.70 114.17 1x4x s SER 33 Ca 0.12 -0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.66 1x4x s SER 33 Cb -0.19 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1x4x s SER 33 CO 0.12 0.00 -0.14 0.59 1.20 0.00 0.00 173.24 175.01 1x4x n ASN 34 N 3.24 1.44 0.00 5.45 5.03 -1.26 -4.86 115.26 124.30 1x4x n ASN 34 Ca -0.15 0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1x4x n ASN 34 Cb 0.57 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1x4x n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x4x n GLY 35 N 2.66 -3.27 3.43 7.41 0.00 -1.26 -4.63 105.19 109.53 1x4x n GLY 35 Ca -0.06 0.52 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 1x4x n GLY 35 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4x s THR 36 N -1.82 2.88 0.31 2.61 -1.32 -1.26 -5.13 115.64 111.91 1x4x s THR 36 Ca 0.00 -0.78 -0.01 0.00 -1.21 0.00 0.00 61.69 59.68 1x4x s THR 36 Cb 0.00 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 1x4x s THR 36 CO 0.00 0.58 0.53 -1.81 -2.21 0.00 0.00 174.62 171.71 1x4x s ASP 37 N -0.53 6.35 0.10 8.08 1.01 -1.26 -4.86 116.67 125.57 1x4x s ASP 37 Ca 0.07 0.53 -0.31 0.00 0.71 0.00 0.00 52.55 53.55 1x4x s ASP 37 Cb -0.11 -2.07 -0.10 0.00 1.01 0.00 0.00 42.92 41.65 1x4x s ASP 37 CO 0.01 -0.24 1.75 -0.69 0.21 0.00 0.00 175.17 176.22 1x4x s VAL 38 N -2.19 2.72 -0.11 -1.27 1.01 -1.26 -4.70 120.40 114.59 1x4x s VAL 38 Ca 0.41 0.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 1x4x s VAL 38 Cb -0.10 -3.14 -0.24 0.00 0.00 0.00 0.00 36.38 32.89 1x4x s VAL 38 CO 0.33 0.00 0.89 0.71 0.00 0.00 0.00 175.10 177.04 1x4x h THR 39 N 4.70 1.65 -3.43 3.92 1.35 -1.44 -3.49 112.91 116.17 1x4x h THR 39 Ca -0.45 -1.99 -0.03 0.00 -0.55 0.00 0.00 66.41 63.40 1x4x h THR 39 Cb 1.21 2.99 -0.09 0.00 -1.73 0.00 0.00 68.15 70.53 1x4x h THR 39 CO 0.94 0.51 -0.02 -1.83 -0.25 0.00 0.00 175.52 174.87 1x4x s GLU 40 N -2.77 1.48 -0.03 4.72 -1.05 -1.25 -4.50 118.70 115.30 1x4x s GLU 40 Ca -0.18 -1.05 0.07 0.00 -0.15 0.00 0.00 54.97 53.67 1x4x s GLU 40 Cb -0.02 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 1x4x s GLU 40 CO 0.67 -0.63 -0.26 0.71 0.95 0.00 0.00 175.26 176.71 1x4x s TYR 41 N -3.94 2.36 -0.40 4.83 2.02 -0.94 -2.33 117.35 118.94 1x4x s TYR 41 Ca 0.15 -0.52 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1x4x s TYR 41 Cb -0.01 -1.52 0.11 0.00 -0.40 0.00 0.00 41.96 40.13 1x4x s TYR 41 CO 0.03 -0.09 0.18 1.03 -1.57 0.00 0.00 175.55 175.13 1x4x s ARG 42 N -0.48 1.95 -0.16 -0.62 0.52 -1.16 -2.69 118.95 116.31 1x4x s ARG 42 Ca 0.06 -1.81 -0.16 0.00 -0.52 0.00 0.00 55.73 53.30 1x4x s ARG 42 Cb -0.11 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1x4x s ARG 42 CO 0.00 -1.04 0.38 -1.17 0.02 0.00 0.00 175.30 173.50 1x4x s LEU 43 N 1.12 4.22 -0.18 2.53 2.96 -0.99 -3.24 118.68 125.10 1x4x s LEU 43 Ca 0.08 0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1x4x s LEU 43 Cb -0.22 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 1x4x s LEU 43 CO -0.05 0.01 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.31 1x4x s GLU 44 N 0.82 3.44 -0.08 1.98 8.01 -0.52 -2.12 118.70 130.23 1x4x s GLU 44 Ca 0.20 -0.62 -0.02 0.00 0.01 0.00 0.00 54.97 54.54 1x4x s GLU 44 Cb -0.14 -2.88 0.03 0.00 -4.31 0.00 0.00 34.13 26.83 1x4x s GLU 44 CO 0.07 0.01 0.02 -0.46 0.01 0.00 0.00 175.26 174.91 1x4x s TRP 45 N 0.92 0.56 0.21 1.61 -0.11 -1.13 -1.93 118.94 119.08 1x4x s TRP 45 Ca -0.01 -0.13 -0.01 0.00 1.22 0.00 0.00 56.10 57.16 1x4x s TRP 45 Cb -0.15 -0.75 -0.04 0.00 -1.50 0.00 0.00 33.47 31.03 1x4x s TRP 45 CO 0.01 -0.32 0.15 0.20 -4.62 0.00 0.00 176.95 172.36 1x4x s GLY 46 N 2.01 1.41 0.07 5.86 0.00 -1.20 -4.36 107.32 111.12 1x4x s GLY 46 Ca 0.05 -1.66 -0.20 0.00 0.00 0.00 0.00 44.72 42.90 1x4x s GLY 46 CO -0.05 -1.36 1.33 -1.33 0.00 0.00 0.00 173.10 171.69 1x4x h GLY 47 N 2.59 -1.36 -2.45 0.20 0.00 -1.87 -3.24 103.07 96.94 1x4x h GLY 47 Ca -0.35 0.74 -0.61 0.00 0.00 0.00 0.00 47.33 47.11 1x4x h GLY 47 CO 0.52 -0.37 -0.76 0.54 0.00 0.00 0.00 176.54 176.47 1x4x s VAL 48 N -4.58 2.58 0.31 4.60 0.11 -1.24 -3.85 120.40 118.33 1x4x s VAL 48 Ca -0.09 -2.27 0.08 0.00 -2.93 0.00 0.00 61.98 56.77 1x4x s VAL 48 Cb 0.05 -2.33 0.31 0.00 -1.53 0.00 0.00 36.38 32.87 1x4x s VAL 48 CO 0.36 -0.34 1.70 -0.08 -3.33 0.00 0.00 175.10 173.41 1x4x h GLU 49 N 2.41 0.42 -0.38 1.54 4.81 -1.93 0.43 114.58 121.88 1x4x h GLU 49 Ca -0.42 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1x4x h GLU 49 Cb 1.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1x4x h GLU 49 CO 0.58 0.28 0.10 0.78 -0.73 0.00 0.00 179.01 180.01 1x4x h GLY 50 N 0.43 0.59 -7.60 1.92 0.00 -1.97 -3.39 103.07 93.07 1x4x h GLY 50 Ca 0.63 -0.31 -0.70 0.00 0.00 0.00 0.00 47.33 46.96 1x4x h GLY 50 CO -0.54 0.29 -0.58 -0.45 0.00 0.00 0.00 176.54 175.26 1x4x s SER 51 N -6.70 5.42 -0.12 0.19 0.15 0.15 -5.06 113.70 107.73 1x4x s SER 51 Ca -0.08 -1.01 -0.18 0.00 0.70 0.00 0.00 55.95 55.38 1x4x s SER 51 Cb 0.16 -1.92 0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1x4x s SER 51 CO 0.76 -0.32 0.45 -0.04 1.20 0.00 0.00 173.24 175.29 1x4x s MET 52 N 1.47 0.65 0.21 5.44 1.00 -1.26 -3.52 119.30 123.29 1x4x s MET 52 Ca 0.00 0.38 -0.10 0.00 0.00 0.00 0.00 55.69 55.97 1x4x s MET 52 Cb -0.19 0.30 -0.01 0.00 0.00 0.00 0.00 34.83 34.94 1x4x s MET 52 CO 0.04 -0.13 0.36 1.14 0.00 0.00 0.00 175.02 176.43 1x4x s GLN 53 N -0.36 1.35 -0.39 2.03 -2.07 -1.26 -4.96 119.66 114.01 1x4x s GLN 53 Ca -0.05 -1.26 -0.27 0.00 -1.82 0.00 0.00 55.36 51.96 1x4x s GLN 53 Cb -0.03 0.41 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 1x4x s GLN 53 CO 0.03 -0.53 2.21 0.42 -1.32 0.00 0.00 175.29 176.10 1x4x s ILE 54 N -4.02 3.10 -0.13 3.63 -1.09 -1.26 -2.82 121.20 118.61 1x4x s ILE 54 Ca 0.23 0.08 0.06 0.00 -2.23 0.00 0.00 60.65 58.79 1x4x s ILE 54 Cb 0.02 -3.19 -0.23 0.00 -1.58 0.00 0.00 42.46 37.48 1x4x s ILE 54 CO 0.06 -0.15 0.30 0.00 -1.23 0.00 0.00 174.94 173.92 1x4x s TYR 56 N -2.55 -0.05 -0.05 0.00 6.14 -1.19 -5.07 117.35 114.58 1x4x s TYR 56 Ca -0.16 0.17 -0.01 0.00 0.64 0.00 0.00 57.07 57.71 1x4x s TYR 56 Cb 0.07 -0.05 0.03 0.00 0.42 0.00 0.00 41.96 42.43 1x4x s TYR 56 CO 0.77 -0.06 0.01 0.00 0.64 0.00 0.00 175.55 176.91 1x4x n GLY 58 N 4.89 2.16 0.00 0.00 0.00 -1.09 -4.97 105.19 106.18 1x4x n GLY 58 Ca -0.12 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.13 1x4x n GLY 58 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 59 N -0.68 0.41 -0.96 1.61 -0.04 -1.26 -2.22 135.00 131.86 1x4x n PRO 59 Ca 0.00 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 1x4x n PRO 59 Cb 0.00 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.08 1x4x n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4x n GLY 60 N -0.02 -0.97 0.00 0.55 0.00 -1.26 -4.87 105.19 98.62 1x4x n GLY 60 Ca 0.10 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1x4x n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4x n LEU 61 N -2.32 0.20 -3.87 0.99 4.77 -1.26 -4.84 117.00 110.68 1x4x n LEU 61 Ca 0.11 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 1x4x n LEU 61 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1x4x n LEU 61 CO 0.49 0.05 -0.37 -0.44 -1.33 0.00 0.00 177.39 175.80 1x4x s SER 62 N -3.05 0.14 -0.04 -1.43 0.01 -1.26 -1.62 113.70 106.45 1x4x s SER 62 Ca -0.02 -0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.16 1x4x s SER 62 Cb 0.09 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.29 1x4x s SER 62 CO 0.53 -0.01 0.17 -0.47 0.41 0.00 0.00 173.24 173.87 1x4x s TYR 63 N 0.17 -0.12 0.06 2.43 5.04 -1.08 -5.04 117.35 118.81 1x4x s TYR 63 Ca -0.01 0.28 0.03 0.00 -2.44 0.00 0.00 57.07 54.93 1x4x s TYR 63 Cb -0.03 0.03 -0.04 0.00 0.35 0.00 0.00 41.96 42.27 1x4x s TYR 63 CO -0.00 -0.16 0.07 -1.83 -1.34 0.00 0.00 175.55 172.28 1x4x s GLU 64 N -0.41 2.87 -0.03 4.97 -1.05 -1.26 -1.00 118.70 122.79 1x4x s GLU 64 Ca -0.05 -0.67 0.05 0.00 -0.15 0.00 0.00 54.97 54.15 1x4x s GLU 64 Cb -0.03 -2.73 -0.01 0.00 -0.44 0.00 0.00 34.13 30.92 1x4x s GLU 64 CO 0.01 0.58 -0.18 0.42 0.95 0.00 0.00 175.26 177.03 1x4x s ILE 65 N -1.34 1.48 0.31 1.83 1.01 0.55 -4.96 121.20 120.09 1x4x s ILE 65 Ca 0.28 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.19 1x4x s ILE 65 Cb -0.12 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1x4x s ILE 65 CO 0.20 0.42 0.17 -0.54 0.00 0.00 0.00 174.94 175.19 1x4x s LYS 66 N -0.18 1.61 -0.19 2.79 1.02 -1.26 0.06 119.74 123.58 1x4x s LYS 66 Ca 0.01 -1.92 -0.01 0.00 0.02 0.00 0.00 55.97 54.07 1x4x s LYS 66 Cb -0.10 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 1x4x s LYS 66 CO 0.01 -0.47 0.09 0.41 -0.92 0.00 0.00 175.35 174.47 1x4x n GLY 67 N -0.58 0.57 3.95 -3.33 0.00 -0.71 -4.99 105.19 100.10 1x4x n GLY 67 Ca 0.02 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 1x4x n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4x s LEU 68 N -1.38 3.69 -0.03 0.99 1.43 -0.85 -5.06 118.68 117.48 1x4x s LEU 68 Ca 0.04 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1x4x s LEU 68 Cb -0.02 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1x4x s LEU 68 CO 0.05 -0.57 0.03 -0.44 0.23 0.00 0.00 176.35 175.65 1x4x s SER 69 N -4.19 5.33 0.57 2.29 0.01 -1.26 -4.22 113.70 112.21 1x4x s SER 69 Ca 0.48 0.08 -0.19 0.00 1.31 0.00 0.00 55.95 57.64 1x4x s SER 69 Cb -0.08 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 1x4x s SER 69 CO 0.30 0.31 1.13 -2.16 0.41 0.00 0.00 173.24 173.23 1x4x s PRO 70 N -1.42 3.25 -1.21 12.44 0.04 -1.24 -3.84 135.00 143.01 1x4x s PRO 70 Ca 0.19 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.75 1x4x s PRO 70 Cb -0.12 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1x4x s PRO 70 CO 0.09 -0.93 0.80 0.00 0.04 0.00 0.00 177.00 177.00 1x4x n ALA 71 N -1.52 -2.20 -3.74 8.56 0.00 0.10 -4.82 120.51 116.88 1x4x n ALA 71 Ca 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1x4x n ALA 71 Cb 0.51 -3.12 -0.14 0.00 0.00 0.00 0.00 19.45 16.70 1x4x n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x4x s THR 72 N -3.54 -0.05 0.29 0.00 2.01 -1.25 -4.94 115.64 108.17 1x4x s THR 72 Ca 0.17 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 1x4x s THR 72 Cb -0.04 -0.28 -0.10 0.00 0.01 0.00 0.00 72.50 72.10 1x4x s THR 72 CO 0.80 0.07 1.10 -0.89 -0.69 0.00 0.00 174.62 175.01 1x4x s THR 73 N 1.20 3.48 0.10 -0.82 2.01 -1.26 -2.96 115.64 117.39 1x4x s THR 73 Ca -0.09 1.47 0.01 0.00 0.31 0.00 0.00 61.69 63.38 1x4x s THR 73 Cb -0.11 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1x4x s THR 73 CO -0.07 0.33 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.86 1x4x s TYR 74 N -1.19 0.82 0.02 4.92 2.02 0.56 -4.50 117.35 119.99 1x4x s TYR 74 Ca 0.45 -1.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1x4x s TYR 74 Cb -0.31 -0.50 -0.01 0.00 -0.40 0.00 0.00 41.96 40.73 1x4x s TYR 74 CO 0.40 -0.28 -0.04 0.71 -1.57 0.00 0.00 175.55 174.77 1x4x s TYR 75 N -3.78 0.35 -0.02 2.71 1.51 -1.22 -0.78 117.35 116.11 1x4x s TYR 75 Ca 0.14 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1x4x s TYR 75 Cb 0.07 -0.22 0.02 0.00 -0.11 0.00 0.00 41.96 41.71 1x4x s TYR 75 CO -0.04 -0.08 0.04 0.00 -1.11 0.00 0.00 175.55 174.36 1x4x s ARG 77 N 0.76 0.86 -0.06 0.00 1.70 -0.81 -2.32 118.95 119.08 1x4x s ARG 77 Ca -0.06 -0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.11 1x4x s ARG 77 Cb -0.09 -0.87 -0.03 0.00 -0.57 0.00 0.00 34.95 33.40 1x4x s ARG 77 CO -0.02 -0.08 -0.13 0.54 -1.08 0.00 0.00 175.30 174.52 1x4x s VAL 78 N 0.94 3.19 0.09 4.99 0.11 -1.26 -1.44 120.40 127.02 1x4x s VAL 78 Ca -0.11 -0.67 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1x4x s VAL 78 Cb -0.14 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.41 1x4x s VAL 78 CO 0.00 0.59 -0.15 0.00 -3.33 0.00 0.00 175.10 172.21 1x4x s GLN 79 N -0.65 0.90 -0.25 1.54 -2.07 -1.20 -2.31 119.66 115.62 1x4x s GLN 79 Ca 0.10 -1.06 -0.10 0.00 -1.82 0.00 0.00 55.36 52.47 1x4x s GLN 79 Cb -0.11 -0.88 -0.05 0.00 -1.09 0.00 0.00 33.01 30.88 1x4x s GLN 79 CO 0.01 0.19 0.15 0.00 -1.32 0.00 0.00 175.29 174.32 1x4x s ALA 80 N -1.57 3.53 -0.07 2.60 0.00 -1.26 -3.01 121.76 121.99 1x4x s ALA 80 Ca 0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 1x4x s ALA 80 Cb -0.08 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1x4x s ALA 80 CO 0.03 -0.28 0.06 -0.51 0.00 0.00 0.00 175.76 175.06 1x4x s LEU 81 N 1.22 3.90 0.00 0.00 1.02 -0.99 -0.55 118.68 123.28 1x4x s LEU 81 Ca 0.07 0.23 0.02 0.00 0.02 0.00 0.00 54.13 54.47 1x4x s LEU 81 Cb -0.14 -2.04 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 1x4x s LEU 81 CO 0.06 0.35 0.08 -1.54 0.02 0.00 0.00 176.35 175.32 1x4x n SER 82 N 1.78 0.66 0.02 2.29 3.41 -0.47 -1.06 113.62 120.24 1x4x n SER 82 Ca -0.17 -1.92 0.12 0.00 -0.26 0.00 0.00 58.87 56.64 1x4x n SER 82 Cb 0.54 0.51 0.17 0.00 -0.26 0.00 0.00 64.21 65.17 1x4x n SER 82 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1x4x n VAL 83 N -0.35 0.14 0.76 -3.33 0.24 -1.26 -3.83 118.33 110.70 1x4x n VAL 83 Ca -0.01 -0.13 0.10 0.00 -2.04 0.00 0.00 64.34 62.27 1x4x n VAL 83 Cb 0.26 0.16 -0.12 0.00 -1.47 0.00 0.00 33.84 32.66 1x4x n VAL 83 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1x4x n VAL 84 N -1.77 0.00 -3.56 3.34 3.14 -1.26 -5.07 118.33 113.15 1x4x n VAL 84 Ca 0.04 -0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1x4x n VAL 84 Cb 0.39 0.75 0.00 0.00 -1.06 0.00 0.00 33.84 33.91 1x4x n VAL 84 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1x4x n GLY 85 N 1.44 -0.73 2.83 7.55 0.00 -1.25 -4.92 105.19 110.12 1x4x n GLY 85 Ca 0.02 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 1x4x n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4x s ALA 86 N -1.00 1.96 1.00 4.61 0.00 -1.26 -1.37 121.76 125.70 1x4x s ALA 86 Ca 0.00 -1.88 -0.18 0.00 0.00 0.00 0.00 51.96 49.90 1x4x s ALA 86 Cb 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 1x4x s ALA 86 CO 0.00 -1.62 -0.56 0.41 0.00 0.00 0.00 175.76 173.99 1x4x n GLY 87 N 4.66 -3.42 2.18 0.00 0.00 0.28 -4.96 105.19 103.93 1x4x n GLY 87 Ca -0.01 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 1x4x n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4x n PRO 88 N 0.90 -2.35 -3.89 1.61 -0.04 -1.26 -4.53 135.00 125.44 1x4x n PRO 88 Ca 0.00 -1.09 -0.36 0.00 -0.04 0.00 0.00 63.50 62.01 1x4x n PRO 88 Cb 0.60 -1.02 -0.07 0.00 -0.04 0.00 0.00 33.50 32.97 1x4x n PRO 88 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1x4x s PHE 89 N -2.23 3.53 1.07 0.54 0.08 -1.26 -4.17 117.98 115.53 1x4x s PHE 89 Ca 0.44 0.46 -0.18 0.00 0.12 0.00 0.00 56.93 57.77 1x4x s PHE 89 Cb -0.04 -1.97 0.27 0.00 -0.57 0.00 0.00 43.02 40.70 1x4x s PHE 89 CO 0.34 0.62 0.81 -1.13 -0.10 0.00 0.00 175.22 175.76 1x4x n SER 90 N 2.32 -2.66 -4.62 1.36 3.41 -0.98 -4.80 113.62 107.65 1x4x n SER 90 Ca -0.19 -0.90 -0.43 0.00 -0.26 0.00 0.00 58.87 57.09 1x4x n SER 90 Cb 0.54 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1x4x n SER 90 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4x s GLU 91 N -4.87 3.76 -0.44 4.33 2.02 -1.26 -4.84 118.70 117.41 1x4x s GLU 91 Ca 0.56 1.31 -0.39 0.00 0.02 0.00 0.00 54.97 56.47 1x4x s GLU 91 Cb -0.07 -3.98 -0.15 0.00 0.10 0.00 0.00 34.13 30.02 1x4x s GLU 91 CO 0.44 -1.32 2.18 0.28 0.02 0.00 0.00 175.26 176.86 1x4x n VAL 92 N 6.55 0.09 -3.22 2.63 0.31 -1.26 -4.68 118.33 118.74 1x4x n VAL 92 Ca 0.17 -0.13 -0.45 0.00 -0.01 0.00 0.00 64.34 63.92 1x4x n VAL 92 Cb 0.46 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 1x4x n VAL 92 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1x4x s VAL 93 N 6.75 4.99 0.58 2.52 1.01 -0.98 -4.93 120.40 130.33 1x4x s VAL 93 Ca 1.15 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 1x4x s VAL 93 Cb -1.18 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 30.84 1x4x s VAL 93 CO 0.57 -0.87 0.95 0.00 0.00 0.00 0.00 175.10 175.75 1x4x s ALA 94 N 2.27 3.20 -0.22 5.51 0.00 -1.26 -2.58 121.76 128.68 1x4x s ALA 94 Ca 0.10 -0.26 -0.26 0.00 0.00 0.00 0.00 51.96 51.53 1x4x s ALA 94 Cb -0.24 -2.90 0.07 0.00 0.00 0.00 0.00 23.12 20.06 1x4x s ALA 94 CO 0.08 -0.60 0.71 0.00 0.00 0.00 0.00 175.76 175.94 1x4x s VAL 96 N 0.01 2.85 0.21 0.00 1.01 -1.26 -0.32 120.40 122.89 1x4x s VAL 96 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1x4x s VAL 96 Cb -0.04 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 1x4x s VAL 96 CO 0.03 0.57 0.57 0.42 0.00 0.00 0.00 175.10 176.69 1x4x s THR 97 N -0.33 4.88 0.56 3.92 -4.23 -1.15 -4.94 115.64 114.35 1x4x s THR 97 Ca 0.03 0.62 -0.19 0.00 -1.18 0.00 0.00 61.69 60.97 1x4x s THR 97 Cb -0.13 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.01 1x4x s THR 97 CO 0.02 0.01 1.13 -2.16 -0.54 0.00 0.00 174.62 173.08 1x4x s PRO 98 N -2.59 3.28 0.17 3.99 0.04 -1.26 -0.72 135.00 137.91 1x4x s PRO 98 Ca 0.45 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1x4x s PRO 98 Cb -0.12 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1x4x s PRO 98 CO 0.20 -0.91 1.32 -1.25 0.04 0.00 0.00 177.00 176.41 1x4x s PRO 99 N -3.40 4.37 -0.21 0.56 0.04 -1.26 -2.58 135.00 132.52 1x4x s PRO 99 Ca 0.72 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.64 1x4x s PRO 99 Cb -0.23 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 30.99 1x4x s PRO 99 CO 0.29 -0.30 -0.17 0.45 0.04 0.00 0.00 177.00 177.32 1x4x n SER 100 N 3.01 1.90 -4.72 6.66 2.88 -1.26 -4.92 113.62 117.17 1x4x n SER 100 Ca 0.08 0.42 -0.42 0.00 -1.33 0.00 0.00 58.87 57.62 1x4x n SER 100 Cb 0.43 -0.85 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 1x4x n SER 100 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4x s SER 101 N -6.60 7.27 0.18 -3.46 1.04 -1.26 -5.04 113.70 105.84 1x4x s SER 101 Ca -0.29 1.85 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 1x4x s SER 101 Cb 0.07 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1x4x s SER 101 CO 0.45 -0.31 0.15 -0.83 0.98 0.00 0.00 173.24 173.68 1x4x s GLY 102 N 0.77 1.15 0.52 7.32 0.00 -1.26 -5.04 107.32 110.78 1x4x s GLY 102 Ca 0.53 -1.49 0.30 0.00 0.00 0.00 0.00 44.72 44.06 1x4x s GLY 102 CO 0.29 -1.27 1.96 -0.56 0.00 0.00 0.00 173.10 173.52 1x4x h PRO 103 N 2.65 0.00 -6.85 2.90 0.13 -2.04 -3.44 132.00 125.35 1x4x h PRO 103 Ca -0.34 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.27 1x4x h PRO 103 Cb 1.23 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.41 1x4x h PRO 103 CO 0.53 0.08 0.56 -1.12 -0.23 0.00 0.00 178.00 177.82 1x4x s SER 104 N -5.87 7.01 0.21 1.44 0.01 -1.26 -4.95 113.70 110.29 1x4x s SER 104 Ca 0.00 2.48 -0.32 0.00 1.31 0.00 0.00 55.95 59.43 1x4x s SER 104 Cb 0.10 -2.64 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 1x4x s SER 104 CO 0.57 -0.34 1.66 -0.24 0.41 0.00 0.00 173.24 175.30 1x4x n SER 105 N 0.98 3.74 0.00 2.44 2.88 -1.26 -5.16 113.62 117.24 1x4x n SER 105 Ca -0.01 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1x4x n SER 105 Cb 0.43 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1x4x n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42