#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1m s GLU 2 N 0.00 1.29 0.69 0.54 -1.05 -1.26 -5.16 118.70 113.75 2k1m s GLU 2 Ca 0.00 -1.49 -0.12 0.00 -0.15 0.00 0.00 54.97 53.21 2k1m s GLU 2 Cb 0.00 -1.22 0.17 0.00 -0.44 0.00 0.00 34.13 32.64 2k1m s GLU 2 CO 0.00 0.23 0.61 -0.35 0.95 0.00 0.00 175.26 176.69 2k1m n PRO 3 N -0.03 -2.21 -0.05 -4.83 -0.04 -1.26 -5.03 135.00 121.55 2k1m n PRO 3 Ca -0.11 -0.97 -0.00 0.00 -0.04 0.00 0.00 63.50 62.38 2k1m n PRO 3 Cb 0.59 -0.91 -0.00 0.00 -0.04 0.00 0.00 33.50 33.13 2k1m n PRO 3 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2k1m h GLY 4 N -1.74 0.00 -7.50 0.55 0.00 -2.08 -3.44 103.07 88.86 2k1m h GLY 4 Ca -0.23 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.43 2k1m h GLY 4 CO 0.15 0.00 -0.33 0.54 0.00 0.00 0.00 176.54 176.90 2k1m s LYS 5 N -1.55 3.45 0.82 4.80 -0.14 -1.26 -5.06 119.74 120.80 2k1m s LYS 5 Ca -0.01 -0.55 -0.13 0.00 -1.36 0.00 0.00 55.97 53.92 2k1m s LYS 5 Cb 0.00 -3.84 0.08 0.00 -1.68 0.00 0.00 37.83 32.39 2k1m s LYS 5 CO 0.02 -0.56 1.11 0.36 -0.76 0.00 0.00 175.35 175.51 2k1m n LYS 6 N 5.33 0.12 -1.82 1.68 2.85 -1.26 -4.97 118.16 120.09 2k1m n LYS 6 Ca -0.10 0.11 -0.33 0.00 -1.05 0.00 0.00 58.31 56.94 2k1m n LYS 6 Cb 0.49 -2.36 0.04 0.00 -0.65 0.00 0.00 35.03 32.55 2k1m n LYS 6 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k1m s PRO 7 N -4.03 2.87 -0.40 -1.58 0.04 -1.26 -4.89 135.00 125.75 2k1m s PRO 7 Ca 0.72 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 2k1m s PRO 7 Cb -0.29 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2k1m s PRO 7 CO 0.53 -1.20 2.33 0.28 0.04 0.00 0.00 177.00 178.98 2k1m n VAL 8 N -2.27 0.11 -2.92 -0.36 0.31 -1.26 -4.94 118.33 107.00 2k1m n VAL 8 Ca 0.11 -0.55 -0.19 0.00 -0.01 0.00 0.00 64.34 63.69 2k1m n VAL 8 Cb 0.52 -2.41 0.02 0.00 -0.91 0.00 0.00 33.84 31.06 2k1m n VAL 8 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2k1m s SER 9 N 9.92 5.57 -0.14 4.52 0.15 -1.26 -5.03 113.70 127.43 2k1m s SER 9 Ca 1.03 -0.20 0.17 0.00 0.70 0.00 0.00 55.95 57.65 2k1m s SER 9 Cb -0.40 -0.86 0.36 0.00 -1.71 0.00 0.00 66.02 63.42 2k1m s SER 9 CO 0.34 -0.86 1.25 0.00 1.20 0.00 0.00 173.24 175.17 2k1m n ALA 10 N -2.02 2.52 -3.58 5.45 0.00 -1.26 -4.71 120.51 116.91 2k1m n ALA 10 Ca 0.07 -2.39 -0.29 0.00 0.00 0.00 0.00 53.44 50.83 2k1m n ALA 10 Cb 0.59 -0.49 -0.13 0.00 0.00 0.00 0.00 19.45 19.43 2k1m n ALA 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k1m s PHE 11 N -2.71 1.30 0.28 0.00 0.40 -1.26 -1.39 117.98 114.60 2k1m s PHE 11 Ca 0.34 -1.98 0.02 0.00 -0.60 0.00 0.00 56.93 54.70 2k1m s PHE 11 Cb 0.28 -1.36 0.62 0.00 0.51 0.00 0.00 43.02 43.07 2k1m s PHE 11 CO 0.05 -0.81 1.77 0.77 0.70 0.00 0.00 175.22 177.71 2k1m h SER 12 N 6.90 0.65 -3.18 1.36 0.02 -1.24 -3.37 113.55 114.70 2k1m h SER 12 Ca 0.02 0.09 -0.51 0.00 -0.84 0.00 0.00 61.79 60.56 2k1m h SER 12 Cb 0.95 -0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.07 2k1m h SER 12 CO 0.36 0.26 -0.76 -0.75 -1.14 0.00 0.00 176.83 174.80 2k1m s LYS 13 N -5.92 0.48 0.22 3.45 2.47 -0.52 -4.96 119.74 114.96 2k1m s LYS 13 Ca -0.12 -0.39 -0.30 0.00 -1.56 0.00 0.00 55.97 53.60 2k1m s LYS 13 Cb 0.23 -1.97 -0.08 0.00 -1.46 0.00 0.00 37.83 34.55 2k1m s LYS 13 CO 0.79 -0.70 1.13 0.21 0.16 0.00 0.00 175.35 176.94 2k1m s LYS 14 N 1.93 4.58 -0.55 4.03 2.20 -1.26 -0.20 119.74 130.47 2k1m s LYS 14 Ca 0.01 1.79 -0.27 0.00 -0.36 0.00 0.00 55.97 57.15 2k1m s LYS 14 Cb -0.17 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2k1m s LYS 14 CO -0.11 0.08 1.82 -1.25 -0.36 0.00 0.00 175.35 175.53 2k1m s PRO 15 N -0.74 2.81 0.61 4.03 0.04 -1.25 -4.91 135.00 135.60 2k1m s PRO 15 Ca 0.48 0.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 2k1m s PRO 15 Cb -0.31 -4.33 -0.02 0.00 0.04 0.00 0.00 34.50 29.87 2k1m s PRO 15 CO 0.38 -2.50 1.13 1.03 0.04 0.00 0.00 177.00 177.08 2k1m s ARG 16 N 6.66 2.98 0.83 4.56 0.52 -1.26 -4.59 118.95 128.66 2k1m s ARG 16 Ca 0.69 1.53 -0.12 0.00 -0.52 0.00 0.00 55.73 57.31 2k1m s ARG 16 Cb -0.14 -1.96 0.10 0.00 0.52 0.00 0.00 34.95 33.46 2k1m s ARG 16 CO 0.24 -1.13 1.18 -1.54 0.02 0.00 0.00 175.30 174.07 2k1m s SER 17 N -2.16 3.47 0.02 0.23 1.04 -1.26 -4.92 113.70 110.11 2k1m s SER 17 Ca 0.70 2.29 -0.06 0.00 0.48 0.00 0.00 55.95 59.37 2k1m s SER 17 Cb -0.23 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.31 2k1m s SER 17 CO 0.35 -2.74 0.11 -0.69 0.98 0.00 0.00 173.24 171.25 2k1m s VAL 18 N -2.31 0.10 -0.17 5.02 1.01 -1.22 -5.02 120.40 117.81 2k1m s VAL 18 Ca 0.71 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 2k1m s VAL 18 Cb -0.26 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 2k1m s VAL 18 CO 0.52 -0.46 -0.12 -1.61 0.00 0.00 0.00 175.10 173.44 2k1m s GLU 19 N -1.76 3.31 -0.01 2.72 8.01 -1.26 -1.77 118.70 127.93 2k1m s GLU 19 Ca -0.12 -0.70 0.02 0.00 0.01 0.00 0.00 54.97 54.18 2k1m s GLU 19 Cb -0.06 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 27.03 2k1m s GLU 19 CO -0.00 0.01 -0.06 0.14 0.01 0.00 0.00 175.26 175.35 2k1m s VAL 20 N 0.88 0.50 0.76 2.63 -7.23 -0.71 -4.92 120.40 112.31 2k1m s VAL 20 Ca -0.03 -0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 59.80 2k1m s VAL 20 Cb -0.15 -0.45 0.05 0.00 0.56 0.00 0.00 36.38 36.39 2k1m s VAL 20 CO -0.00 0.16 1.09 0.00 -0.31 0.00 0.00 175.10 176.04 2k1m s ALA 21 N 0.10 2.27 -0.32 1.32 0.00 -1.26 -1.33 121.76 122.54 2k1m s ALA 21 Ca -0.01 0.30 -0.37 0.00 0.00 0.00 0.00 51.96 51.87 2k1m s ALA 21 Cb -0.05 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 2k1m s ALA 21 CO -0.00 -1.73 2.02 0.00 0.00 0.00 0.00 175.76 176.04 2k1m n ALA 22 N -3.43 0.59 0.00 0.00 0.00 -0.72 -0.06 120.51 116.89 2k1m n ALA 22 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2k1m n ALA 22 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2k1m n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1m n GLY 23 N 5.70 2.78 3.57 0.00 0.00 -0.63 -5.00 105.19 111.61 2k1m n GLY 23 Ca 0.36 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2k1m n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1m n SER 24 N 0.78 0.83 -4.74 1.61 7.64 0.91 -4.70 113.62 115.95 2k1m n SER 24 Ca 0.00 1.04 -0.41 0.00 1.01 0.00 0.00 58.87 60.51 2k1m n SER 24 Cb 0.00 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 61.88 2k1m n SER 24 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2k1m s PRO 25 N -1.84 4.41 -0.08 1.43 0.04 -1.26 -4.63 135.00 133.07 2k1m s PRO 25 Ca 0.62 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.72 2k1m s PRO 25 Cb -0.60 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 30.78 2k1m s PRO 25 CO 0.58 -0.21 -0.08 0.00 0.04 0.00 0.00 177.00 177.33 2k1m s ALA 26 N -0.12 1.14 -0.01 8.56 0.00 -0.62 -4.95 121.76 125.76 2k1m s ALA 26 Ca 0.55 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 52.19 2k1m s ALA 26 Cb -0.36 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2k1m s ALA 26 CO 0.40 -0.14 -0.19 0.54 0.00 0.00 0.00 175.76 176.38 2k1m s VAL 27 N 1.17 1.48 -0.13 0.00 0.11 -1.26 -0.80 120.40 120.97 2k1m s VAL 27 Ca -0.06 -0.83 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 2k1m s VAL 27 Cb -0.14 -1.24 0.01 0.00 -1.53 0.00 0.00 36.38 33.48 2k1m s VAL 27 CO -0.02 0.39 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.58 2k1m s PHE 28 N -0.47 2.51 -0.32 1.54 0.40 -0.59 -4.95 117.98 116.10 2k1m s PHE 28 Ca 0.07 -1.25 -0.15 0.00 -0.60 0.00 0.00 56.93 55.00 2k1m s PHE 28 Cb -0.07 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 2k1m s PHE 28 CO -0.00 -0.58 0.36 -1.21 0.70 0.00 0.00 175.22 174.48 2k1m s GLU 29 N 0.86 3.69 -0.17 0.44 8.01 -1.26 -1.24 118.70 129.03 2k1m s GLU 29 Ca -0.07 -0.31 0.01 0.00 0.01 0.00 0.00 54.97 54.61 2k1m s GLU 29 Cb -0.15 -3.76 0.03 0.00 -4.31 0.00 0.00 34.13 25.93 2k1m s GLU 29 CO -0.02 -0.45 -0.14 0.00 0.01 0.00 0.00 175.26 174.65 2k1m s ALA 30 N 2.03 1.99 -0.13 5.21 0.00 0.65 -3.83 121.76 127.68 2k1m s ALA 30 Ca 0.12 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 2k1m s ALA 30 Cb -0.16 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2k1m s ALA 30 CO 0.11 -0.48 0.07 -2.00 0.00 0.00 0.00 175.76 173.46 2k1m s GLU 31 N 1.42 3.45 0.26 0.00 2.12 0.72 -0.05 118.70 126.62 2k1m s GLU 31 Ca 0.03 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.08 2k1m s GLU 31 Cb -0.14 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 2k1m s GLU 31 CO -0.11 0.60 0.44 0.95 -0.54 0.00 0.00 175.26 176.60 2k1m s THR 32 N -0.55 5.19 -2.21 -1.70 -4.23 0.86 -1.22 115.64 111.78 2k1m s THR 32 Ca 0.11 -0.58 0.23 0.00 -1.18 0.00 0.00 61.69 60.27 2k1m s THR 32 Cb -0.12 -3.81 0.54 0.00 1.34 0.00 0.00 72.50 70.45 2k1m s THR 32 CO 0.02 -0.35 1.70 1.21 -0.54 0.00 0.00 174.62 176.66 2k1m n GLU 33 N -1.26 1.44 -3.69 3.99 2.13 -0.48 -3.69 120.64 119.08 2k1m n GLU 33 Ca -0.06 -0.66 -0.14 0.00 0.66 0.00 0.00 57.16 56.96 2k1m n GLU 33 Cb 0.55 -1.39 -0.08 0.00 0.27 0.00 0.00 31.44 30.79 2k1m n GLU 33 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2k1m s ARG 34 N -1.91 0.73 0.20 5.31 3.52 -1.26 -4.92 118.95 120.61 2k1m s ARG 34 Ca 0.34 0.11 -0.05 0.00 -0.13 0.00 0.00 55.73 56.00 2k1m s ARG 34 Cb 0.17 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.85 2k1m s ARG 34 CO 0.27 -0.19 0.44 0.00 -0.81 0.00 0.00 175.30 175.01 2k1m s ALA 35 N -0.93 3.74 0.00 6.12 0.00 -1.26 -4.31 121.76 125.11 2k1m s ALA 35 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2k1m s ALA 35 Cb -0.03 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2k1m s ALA 35 CO 0.05 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.73 2k1m n GLY 36 N -0.30 2.86 3.77 0.00 0.00 -1.26 -5.05 105.19 105.21 2k1m n GLY 36 Ca -0.02 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2k1m n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1m s VAL 37 N -2.78 2.73 -0.64 1.61 -7.23 -1.26 -4.97 120.40 107.86 2k1m s VAL 37 Ca 0.00 0.68 -0.19 0.00 -1.81 0.00 0.00 61.98 60.66 2k1m s VAL 37 Cb 0.00 -3.42 0.11 0.00 0.56 0.00 0.00 36.38 33.63 2k1m s VAL 37 CO 0.00 0.13 0.77 -0.54 -0.31 0.00 0.00 175.10 175.15 2k1m s LYS 38 N -2.03 3.12 -0.49 4.82 1.02 -1.26 -4.91 119.74 120.01 2k1m s LYS 38 Ca 0.53 -1.35 -0.27 0.00 0.02 0.00 0.00 55.97 54.89 2k1m s LYS 38 Cb -0.38 -4.32 -0.01 0.00 -0.52 0.00 0.00 37.83 32.60 2k1m s LYS 38 CO 0.50 -1.58 1.77 0.08 -0.92 0.00 0.00 175.35 175.19 2k1m s VAL 39 N 2.73 3.48 0.24 3.17 1.01 -1.26 -4.33 120.40 125.44 2k1m s VAL 39 Ca 0.15 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 2k1m s VAL 39 Cb -0.21 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 2k1m s VAL 39 CO 0.05 -0.73 0.75 0.00 0.00 0.00 0.00 175.10 175.17 2k1m s ARG 40 N 6.24 4.28 -0.02 2.72 1.04 0.11 -4.92 118.95 128.40 2k1m s ARG 40 Ca 0.70 0.92 0.07 0.00 -1.04 0.00 0.00 55.73 56.39 2k1m s ARG 40 Cb -0.16 -2.85 -0.02 0.00 -2.04 0.00 0.00 34.95 29.88 2k1m s ARG 40 CO 0.27 0.37 -0.24 -1.58 -0.04 0.00 0.00 175.30 174.07 2k1m s TRP 41 N -1.55 2.20 0.00 5.89 0.52 -1.26 -1.25 118.94 123.49 2k1m s TRP 41 Ca 0.44 -0.42 -0.03 0.00 0.02 0.00 0.00 56.10 56.11 2k1m s TRP 41 Cb -0.17 -1.41 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2k1m s TRP 41 CO 0.21 -0.04 0.05 -0.65 0.02 0.00 0.00 176.95 176.54 2k1m s GLN 42 N -0.56 0.30 0.45 4.98 -0.21 0.93 -0.05 119.66 125.49 2k1m s GLN 42 Ca 0.09 -0.35 0.07 0.00 0.02 0.00 0.00 55.36 55.19 2k1m s GLN 42 Cb -0.10 0.12 -0.02 0.00 1.00 0.00 0.00 33.01 34.02 2k1m s GLN 42 CO -0.01 -0.06 0.30 0.50 -2.12 0.00 0.00 175.29 173.90 2k1m s ARG 43 N -1.02 2.33 -1.16 2.91 3.52 0.36 -1.15 118.95 124.74 2k1m s ARG 43 Ca -0.11 -1.80 -0.22 0.00 -0.13 0.00 0.00 55.73 53.46 2k1m s ARG 43 Cb -0.07 -2.13 -0.05 0.00 -1.56 0.00 0.00 34.95 31.15 2k1m s ARG 43 CO 0.00 -0.27 1.88 0.20 -0.81 0.00 0.00 175.30 176.30 2k1m s GLY 44 N -4.07 0.48 0.00 8.12 0.00 -1.19 -3.07 107.32 107.59 2k1m s GLY 44 Ca 0.41 -2.20 0.00 0.00 0.00 0.00 0.00 44.72 42.92 2k1m s GLY 44 CO 0.23 3.36 0.00 0.61 0.00 0.00 0.00 173.10 177.31 2k1m n GLY 45 N 5.93 4.10 3.36 0.20 0.00 -1.26 -4.98 105.19 112.55 2k1m n GLY 45 Ca 0.44 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2k1m n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 46 N 0.00 0.05 0.57 1.61 1.04 -1.17 -5.17 113.70 110.63 2k1m s SER 46 Ca 0.00 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.13 2k1m s SER 46 Cb 0.00 0.46 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 2k1m s SER 46 CO 0.00 -0.96 0.96 1.51 0.98 0.00 0.00 173.24 175.73 2k1m s ASP 47 N -3.10 6.30 0.07 7.02 1.47 -1.26 -0.49 116.67 126.68 2k1m s ASP 47 Ca 0.32 1.32 0.08 0.00 1.18 0.00 0.00 52.55 55.45 2k1m s ASP 47 Cb 0.04 -2.42 -0.04 0.00 -0.34 0.00 0.00 42.92 40.16 2k1m s ASP 47 CO 0.11 -0.75 -0.18 -0.63 0.68 0.00 0.00 175.17 174.39 2k1m s ILE 48 N -2.97 2.79 0.07 2.11 1.01 0.93 -4.69 121.20 120.44 2k1m s ILE 48 Ca 0.54 -1.31 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 2k1m s ILE 48 Cb -0.11 -2.21 0.08 0.00 0.01 0.00 0.00 42.46 40.23 2k1m s ILE 48 CO 0.48 0.25 0.67 -0.44 0.00 0.00 0.00 174.94 175.90 2k1m s SER 49 N -1.70 -0.56 -0.77 3.58 0.01 -1.26 -4.15 113.70 108.84 2k1m s SER 49 Ca 0.16 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.39 2k1m s SER 49 Cb -0.10 0.55 -0.09 0.00 0.21 0.00 0.00 66.02 66.58 2k1m s SER 49 CO 0.07 -0.80 2.23 0.00 0.41 0.00 0.00 173.24 175.15 2k1m s ALA 50 N -2.83 1.19 0.21 1.44 0.00 -1.26 -4.39 121.76 116.13 2k1m s ALA 50 Ca -0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 2k1m s ALA 50 Cb -0.01 -4.52 0.03 0.00 0.00 0.00 0.00 23.12 18.62 2k1m s ALA 50 CO -0.05 -5.28 0.42 -1.13 0.00 0.00 0.00 175.76 169.72 2k1m n SER 51 N 16.54 -1.22 -4.58 0.00 3.41 -1.26 -4.91 113.62 121.60 2k1m n SER 51 Ca 0.42 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 2k1m n SER 51 Cb 0.46 2.03 0.00 0.00 -0.26 0.00 0.00 64.21 66.45 2k1m n SER 51 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k1m n ASN 52 N -1.30 0.97 0.00 4.04 5.15 -1.26 -0.59 115.26 122.27 2k1m n ASN 52 Ca -0.05 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.99 2k1m n ASN 52 Cb 0.32 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 2k1m n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2k1m n LYS 53 N 0.34 -0.40 -3.97 1.20 4.81 -1.26 -4.92 118.16 113.96 2k1m n LYS 53 Ca 0.10 0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.51 2k1m n LYS 53 Cb 0.37 -3.59 -0.01 0.00 0.02 0.00 0.00 35.03 31.82 2k1m n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k1m n TYR 54 N -2.27 -1.77 -3.63 5.64 4.01 0.24 -4.33 117.16 115.05 2k1m n TYR 54 Ca 0.00 -2.25 -0.10 0.00 -0.16 0.00 0.00 57.90 55.39 2k1m n TYR 54 Cb 0.10 0.68 -0.07 0.00 -0.31 0.00 0.00 39.34 39.75 2k1m n TYR 54 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2k1m s GLY 55 N -3.19 -0.21 -0.07 2.72 0.00 0.84 -4.11 107.32 103.32 2k1m s GLY 55 Ca 0.26 2.57 -0.03 0.00 0.00 0.00 0.00 44.72 47.52 2k1m s GLY 55 CO 0.18 1.79 0.13 1.08 0.00 0.00 0.00 173.10 176.28 2k1m s LEU 56 N 0.19 0.32 -0.33 0.66 1.43 -1.26 -0.10 118.68 119.59 2k1m s LEU 56 Ca 0.03 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2k1m s LEU 56 Cb -0.05 0.21 0.08 0.00 0.03 0.00 0.00 46.19 46.47 2k1m s LEU 56 CO -0.05 -0.20 0.03 0.00 0.23 0.00 0.00 176.35 176.36 2k1m s ALA 57 N 1.80 2.85 -0.28 4.21 0.00 0.71 -4.88 121.76 126.17 2k1m s ALA 57 Ca -0.02 -2.24 -0.10 0.00 0.00 0.00 0.00 51.96 49.61 2k1m s ALA 57 Cb -0.12 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2k1m s ALA 57 CO -0.05 -1.53 0.15 -0.08 0.00 0.00 0.00 175.76 174.25 2k1m s THR 58 N 1.05 4.88 -0.49 0.00 -1.32 -1.26 -1.06 115.64 117.43 2k1m s THR 58 Ca 0.03 -0.09 0.03 0.00 -1.21 0.00 0.00 61.69 60.46 2k1m s THR 58 Cb -0.20 -3.37 0.15 0.00 -1.51 0.00 0.00 72.50 67.57 2k1m s THR 58 CO -0.06 0.21 0.32 -0.70 -2.21 0.00 0.00 174.62 172.18 2k1m s GLU 59 N 1.69 1.46 4.59 7.08 2.12 -0.43 -5.02 118.70 130.19 2k1m s GLU 59 Ca 0.06 -2.32 0.00 0.00 0.36 0.00 0.00 54.97 53.07 2k1m s GLU 59 Cb -0.16 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.86 2k1m s GLU 59 CO 0.08 -1.24 0.00 0.41 -0.54 0.00 0.00 175.26 173.97 2k1m n GLY 60 N 3.04 1.78 0.40 -1.50 0.00 -1.26 -2.65 105.19 105.00 2k1m n GLY 60 Ca 0.16 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.17 2k1m n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1m n THR 61 N 0.00 1.05 -4.08 2.61 -2.24 -1.26 -4.36 114.28 105.99 2k1m n THR 61 Ca 0.00 -1.05 -0.33 0.00 -2.27 0.00 0.00 64.05 60.41 2k1m n THR 61 Cb 0.00 0.47 -0.15 0.00 -2.10 0.00 0.00 70.33 68.54 2k1m n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k1m s ARG 62 N -1.08 2.58 0.10 -0.78 0.52 -1.08 -0.10 118.95 119.11 2k1m s ARG 62 Ca 0.15 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 54.29 2k1m s ARG 62 Cb 0.08 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 2k1m s ARG 62 CO 0.09 -0.42 0.05 -1.01 0.02 0.00 0.00 175.30 174.04 2k1m s HIS 63 N 1.19 3.08 -0.18 -0.53 3.76 0.93 -1.31 115.29 122.23 2k1m s HIS 63 Ca -0.03 0.00 -0.04 0.00 -0.15 0.00 0.00 55.06 54.85 2k1m s HIS 63 Cb -0.17 -1.55 0.08 0.00 1.11 0.00 0.00 32.58 32.05 2k1m s HIS 63 CO -0.08 0.50 0.19 0.99 -0.85 0.00 0.00 174.74 175.49 2k1m s THR 64 N -1.44 -0.27 -0.47 1.30 2.01 -0.23 -0.25 115.64 116.29 2k1m s THR 64 Ca 0.28 -0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.04 2k1m s THR 64 Cb -0.11 -0.60 0.04 0.00 0.01 0.00 0.00 72.50 71.84 2k1m s THR 64 CO 0.20 -0.17 0.58 -0.22 -0.69 0.00 0.00 174.62 174.32 2k1m s LEU 65 N 2.28 4.88 -0.29 4.42 2.96 -0.37 -0.21 118.68 132.35 2k1m s LEU 65 Ca 0.05 -0.76 -0.11 0.00 -0.22 0.00 0.00 54.13 53.09 2k1m s LEU 65 Cb -0.15 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 2k1m s LEU 65 CO -0.10 -0.79 0.19 -0.89 -1.32 0.00 0.00 176.35 173.44 2k1m s THR 66 N 2.52 5.26 -0.11 3.68 2.01 0.86 -1.54 115.64 128.31 2k1m s THR 66 Ca 0.15 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 2k1m s THR 66 Cb -0.18 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.84 2k1m s THR 66 CO 0.13 0.22 -0.00 0.54 -0.69 0.00 0.00 174.62 174.82 2k1m s VAL 67 N 1.75 0.52 -0.16 3.82 0.11 0.02 -0.11 120.40 126.35 2k1m s VAL 67 Ca 0.07 -0.14 0.22 0.00 -2.93 0.00 0.00 61.98 59.20 2k1m s VAL 67 Cb -0.16 -0.76 -0.17 0.00 -1.53 0.00 0.00 36.38 33.76 2k1m s VAL 67 CO 0.11 0.14 0.77 0.54 -3.33 0.00 0.00 175.10 173.33 2k1m n ARG 68 N 5.09 0.62 0.08 1.54 3.00 -1.26 -1.58 116.66 124.14 2k1m n ARG 68 Ca -0.08 -0.04 0.08 0.00 -0.01 0.00 0.00 57.85 57.80 2k1m n ARG 68 Cb 0.49 -1.67 0.38 0.00 0.00 0.00 0.00 32.46 31.66 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2k1m n GLU 69 N -2.44 0.10 -1.57 5.56 2.13 -1.26 -4.53 120.64 118.63 2k1m n GLU 69 Ca -0.02 0.46 -0.49 0.00 0.66 0.00 0.00 57.16 57.77 2k1m n GLU 69 Cb 0.55 -1.74 -0.04 0.00 0.27 0.00 0.00 31.44 30.49 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2k1m n VAL 70 N -1.94 1.04 -2.38 6.31 3.14 -1.26 -4.79 118.33 118.46 2k1m n VAL 70 Ca 0.01 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 2k1m n VAL 70 Cb 0.12 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 2k1m n VAL 70 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1m n GLY 71 N 1.91 2.78 0.15 7.55 0.00 -1.26 -1.60 105.19 114.72 2k1m n GLY 71 Ca 0.15 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.42 2k1m n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1m h PRO 72 N 0.00 0.00 0.00 1.61 0.13 -1.92 -2.33 132.00 129.49 2k1m h PRO 72 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k1m h PRO 72 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k1m h PRO 72 CO 0.00 0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 177.18 2k1m n ALA 73 N -1.81 3.40 0.56 -0.56 0.00 -1.26 -3.71 120.51 117.13 2k1m n ALA 73 Ca 0.02 -0.34 0.10 0.00 0.00 0.00 0.00 53.44 53.23 2k1m n ALA 73 Cb 0.23 -1.11 0.13 0.00 0.00 0.00 0.00 19.45 18.71 2k1m n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k1m n ASP 74 N -1.69 2.96 -4.56 0.00 8.00 -0.88 -4.89 116.55 115.48 2k1m n ASP 74 Ca 0.05 -1.89 -0.21 0.00 0.71 0.00 0.00 54.79 53.44 2k1m n ASP 74 Cb 0.37 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 2k1m n ASP 74 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2k1m s GLN 75 N -1.53 1.96 0.00 -1.24 -0.44 -1.20 -4.58 119.66 112.64 2k1m s GLN 75 Ca 0.29 0.42 0.00 0.00 -2.50 0.00 0.00 55.36 53.57 2k1m s GLN 75 Cb 0.18 -4.80 0.00 0.00 -1.64 0.00 0.00 33.01 26.75 2k1m s GLN 75 CO 0.27 -3.93 0.00 0.41 0.50 0.00 0.00 175.29 172.53 2k1m n GLY 76 N 6.65 2.24 3.34 2.59 0.00 -1.24 -5.07 105.19 113.71 2k1m n GLY 76 Ca 0.42 0.18 -0.18 0.00 0.00 0.00 0.00 46.02 46.45 2k1m n GLY 76 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1m s SER 77 N 1.89 1.95 -0.04 1.61 1.04 -1.26 -3.22 113.70 115.67 2k1m s SER 77 Ca 0.00 -1.22 0.02 0.00 0.48 0.00 0.00 55.95 55.24 2k1m s SER 77 Cb 0.00 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2k1m s SER 77 CO 0.00 -0.49 -0.09 -0.31 0.98 0.00 0.00 173.24 173.32 2k1m s TYR 78 N -3.37 1.06 -0.05 5.02 1.51 0.11 -3.16 117.35 118.48 2k1m s TYR 78 Ca 0.29 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 56.10 2k1m s TYR 78 Cb 0.05 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 2k1m s TYR 78 CO 0.09 -0.16 -0.24 0.00 -1.11 0.00 0.00 175.55 174.14 2k1m s ALA 79 N 0.42 2.23 -0.14 3.71 0.00 -0.30 -0.69 121.76 126.99 2k1m s ALA 79 Ca -0.07 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 2k1m s ALA 79 Cb -0.11 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.38 2k1m s ALA 79 CO 0.01 0.46 0.30 0.54 0.00 0.00 0.00 175.76 177.07 2k1m s VAL 80 N -0.33 -0.35 0.13 0.00 0.11 0.03 -0.05 120.40 119.94 2k1m s VAL 80 Ca 0.01 0.22 0.08 0.00 -2.93 0.00 0.00 61.98 59.37 2k1m s VAL 80 Cb -0.12 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2k1m s VAL 80 CO 0.02 0.09 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.12 2k1m s ILE 81 N 2.16 3.10 -0.24 7.04 1.01 -0.38 -1.35 121.20 132.54 2k1m s ILE 81 Ca -0.02 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.10 2k1m s ILE 81 Cb -0.11 -2.47 0.10 0.00 0.01 0.00 0.00 42.46 39.98 2k1m s ILE 81 CO -0.10 0.03 0.18 0.00 0.00 0.00 0.00 174.94 175.06 2k1m s ALA 82 N -1.35 0.10 0.00 9.38 0.00 -0.53 0.05 121.76 129.41 2k1m s ALA 82 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2k1m s ALA 82 Cb -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2k1m s ALA 82 CO 0.13 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.87 2k1m n GLY 83 N 5.29 1.32 0.24 0.00 0.00 -1.26 -2.76 105.19 108.01 2k1m n GLY 83 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2k1m n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1m n SER 84 N 3.63 2.27 -4.77 1.61 7.64 -1.26 -5.06 113.62 117.68 2k1m n SER 84 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 2k1m n SER 84 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2k1m n SER 84 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k1m s SER 85 N -3.94 6.75 -0.11 6.43 0.15 -1.11 -5.03 113.70 116.83 2k1m s SER 85 Ca 0.00 2.60 0.01 0.00 0.70 0.00 0.00 55.95 59.26 2k1m s SER 85 Cb 0.00 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2k1m s SER 85 CO 0.00 -0.54 -0.14 -0.75 1.20 0.00 0.00 173.24 173.01 2k1m s LYS 86 N -1.86 2.08 0.05 5.44 2.20 -1.26 -1.45 119.74 124.94 2k1m s LYS 86 Ca 0.50 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.66 2k1m s LYS 86 Cb -0.38 -1.84 -0.02 0.00 -1.51 0.00 0.00 37.83 34.08 2k1m s LYS 86 CO 0.49 -0.11 -0.13 0.14 -0.36 0.00 0.00 175.35 175.38 2k1m s VAL 87 N 1.15 1.04 0.02 4.02 -7.23 -0.46 -5.01 120.40 113.94 2k1m s VAL 87 Ca -0.04 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 2k1m s VAL 87 Cb -0.14 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 2k1m s VAL 87 CO -0.04 -0.13 -0.05 -1.59 -0.31 0.00 0.00 175.10 172.99 2k1m s LYS 88 N -1.42 0.36 0.26 4.82 0.00 -1.26 -0.79 119.74 121.70 2k1m s LYS 88 Ca -0.01 -0.57 0.04 0.00 0.00 0.00 0.00 55.97 55.42 2k1m s LYS 88 Cb -0.09 -0.08 -0.05 0.00 0.00 0.00 0.00 37.83 37.61 2k1m s LYS 88 CO 0.02 0.00 0.01 -0.59 0.00 0.00 0.00 175.35 174.79 2k1m s PHE 89 N -1.20 1.68 -0.05 1.78 -0.71 0.13 -4.97 117.98 114.64 2k1m s PHE 89 Ca -0.11 -0.93 -0.09 0.00 -1.04 0.00 0.00 56.93 54.75 2k1m s PHE 89 Cb -0.08 -1.00 -0.05 0.00 -1.21 0.00 0.00 43.02 40.68 2k1m s PHE 89 CO -0.00 -0.03 0.25 -0.51 -1.34 0.00 0.00 175.22 173.59 2k1m s ASP 90 N -3.36 6.54 -0.40 1.98 1.01 -1.26 0.05 116.67 121.23 2k1m s ASP 90 Ca 0.31 0.63 -0.06 0.00 0.71 0.00 0.00 52.55 54.14 2k1m s ASP 90 Cb 0.06 -2.13 0.09 0.00 1.01 0.00 0.00 42.92 41.95 2k1m s ASP 90 CO 0.11 0.34 0.21 -0.22 0.21 0.00 0.00 175.17 175.82 2k1m s LEU 91 N -1.24 5.04 0.19 1.23 2.96 -1.20 -3.42 118.68 122.24 2k1m s LEU 91 Ca 0.21 -1.64 -0.20 0.00 -0.22 0.00 0.00 54.13 52.28 2k1m s LEU 91 Cb -0.14 -1.91 -0.08 0.00 0.50 0.00 0.00 46.19 44.57 2k1m s LEU 91 CO 0.10 -0.51 0.69 -0.54 -1.32 0.00 0.00 176.35 174.77 2k1m s LYS 92 N 1.32 4.25 -0.03 1.98 3.01 -0.73 -3.73 119.74 125.80 2k1m s LYS 92 Ca 0.03 0.84 0.07 0.00 -1.01 0.00 0.00 55.97 55.91 2k1m s LYS 92 Cb -0.23 -2.98 -0.02 0.00 -1.01 0.00 0.00 37.83 33.60 2k1m s LYS 92 CO -0.00 0.46 -0.25 0.08 0.51 0.00 0.00 175.35 176.14 2k1m s VAL 93 N -1.42 2.03 0.08 3.17 1.01 -1.26 -1.75 120.40 122.27 2k1m s VAL 93 Ca 0.40 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2k1m s VAL 93 Cb -0.18 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2k1m s VAL 93 CO 0.21 0.57 0.10 -0.63 0.00 0.00 0.00 175.10 175.35 2k1m s ILE 94 N -0.42 4.63 -2.28 2.22 1.01 -0.44 -4.88 121.20 121.03 2k1m s ILE 94 Ca 0.04 -0.75 0.18 0.00 0.00 0.00 0.00 60.65 60.13 2k1m s ILE 94 Cb -0.11 -3.24 0.14 0.00 0.01 0.00 0.00 42.46 39.26 2k1m s ILE 94 CO 0.01 0.11 1.08 1.21 0.00 0.00 0.00 174.94 177.35