#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 2.87 1.11 0.54 8.01 -1.26 -5.05 118.70 124.92 2k1m s GLU 2 Ca 0.00 0.91 -0.16 0.00 0.01 0.00 0.00 54.97 55.73 2k1m s GLU 2 Cb 0.00 -1.99 0.24 0.00 -4.31 0.00 0.00 34.13 28.08 2k1m s GLU 2 CO 0.00 -1.13 1.10 -1.25 0.01 0.00 0.00 175.26 173.99 2k1m s PRO 3 N -5.06 -0.45 0.12 0.39 0.04 -1.26 -4.97 135.00 123.81 2k1m s PRO 3 Ca 0.58 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.67 2k1m s PRO 3 Cb -0.14 -1.66 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2k1m s PRO 3 CO 0.55 -3.25 1.62 0.78 0.04 0.00 0.00 177.00 176.74 2k1m h GLY 4 N -2.26 0.65 -3.33 0.56 0.00 -2.10 -3.44 103.07 93.15 2k1m h GLY 4 Ca -0.50 -0.41 -0.59 0.00 0.00 0.00 0.00 47.33 45.83 2k1m h GLY 4 CO 0.46 0.38 -0.81 1.25 0.00 0.00 0.00 176.54 177.82 2k1m s LYS 5 N -5.30 1.38 0.18 4.80 2.47 -1.26 -5.15 119.74 116.87 2k1m s LYS 5 Ca -0.13 -1.44 0.02 0.00 -1.56 0.00 0.00 55.97 52.86 2k1m s LYS 5 Cb 0.10 -1.59 -0.04 0.00 -1.46 0.00 0.00 37.83 34.84 2k1m s LYS 5 CO 0.76 0.34 0.33 -1.59 0.16 0.00 0.00 175.35 175.35 2k1m s LYS 6 N -2.64 3.46 0.47 4.03 -2.85 -1.26 -5.09 119.74 115.85 2k1m s LYS 6 Ca 0.17 -0.56 -0.23 0.00 -1.00 0.00 0.00 55.97 54.36 2k1m s LYS 6 Cb -0.07 -2.92 -0.07 0.00 -2.06 0.00 0.00 37.83 32.71 2k1m s LYS 6 CO 0.08 0.47 1.16 -1.25 0.10 0.00 0.00 175.35 175.91 2k1m s PRO 7 N -3.40 3.73 -0.49 1.78 0.04 -1.26 -4.88 135.00 130.52 2k1m s PRO 7 Ca 0.35 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.84 2k1m s PRO 7 Cb -0.11 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 2k1m s PRO 7 CO 0.29 -0.57 2.34 0.28 0.04 0.00 0.00 177.00 179.38 2k1m n VAL 8 N -0.55 0.09 -3.66 -0.36 0.31 -1.26 -4.92 118.33 107.97 2k1m n VAL 8 Ca 0.08 -0.38 -0.24 0.00 -0.01 0.00 0.00 64.34 63.79 2k1m n VAL 8 Cb 0.48 -1.84 -0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 9.02 4.81 -0.08 4.52 0.15 -1.26 -5.05 113.70 125.81 2k1m s SER 9 Ca 1.10 -1.05 0.12 0.00 0.70 0.00 0.00 55.95 56.82 2k1m s SER 9 Cb -0.70 0.12 0.26 0.00 -1.71 0.00 0.00 66.02 63.99 2k1m s SER 9 CO 0.42 -1.02 1.18 0.00 1.20 0.00 0.00 173.24 175.02 2k1m n ALA 10 N -1.78 2.32 -3.63 5.45 0.00 -1.26 -4.67 120.51 116.94 2k1m n ALA 10 Ca 0.03 -1.86 -0.29 0.00 0.00 0.00 0.00 53.44 51.32 2k1m n ALA 10 Cb 0.63 -0.35 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.03 1.28 0.29 0.00 0.40 -1.26 -1.34 117.98 115.32 2k1m s PHE 11 Ca 0.23 -1.69 -0.02 0.00 -0.60 0.00 0.00 56.93 54.85 2k1m s PHE 11 Cb 0.19 -1.42 0.42 0.00 0.51 0.00 0.00 43.02 42.72 2k1m s PHE 11 CO 0.05 -0.84 1.95 1.03 0.70 0.00 0.00 175.22 178.12 2k1m h SER 12 N 7.63 0.95 -3.15 1.36 0.87 -1.12 -3.40 113.55 116.70 2k1m h SER 12 Ca -0.08 -0.04 -0.50 0.00 -1.23 0.00 0.00 61.79 59.94 2k1m h SER 12 Cb 0.99 -0.24 -0.40 0.00 -0.44 0.00 0.00 62.40 62.30 2k1m h SER 12 CO 0.42 0.71 -0.76 -0.75 -0.53 0.00 0.00 176.83 175.92 2k1m s LYS 13 N -5.88 0.40 0.20 2.24 2.20 -0.54 -4.95 119.74 113.41 2k1m s LYS 13 Ca -0.12 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 2k1m s LYS 13 Cb 0.18 -1.94 -0.08 0.00 -1.51 0.00 0.00 37.83 34.48 2k1m s LYS 13 CO 0.80 -0.70 1.21 0.21 -0.36 0.00 0.00 175.35 176.51 2k1m s LYS 14 N 1.97 4.49 -0.95 4.03 2.20 -1.26 -0.10 119.74 130.11 2k1m s LYS 14 Ca 0.01 1.90 -0.24 0.00 -0.36 0.00 0.00 55.97 57.28 2k1m s LYS 14 Cb -0.17 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2k1m s LYS 14 CO -0.11 -0.09 1.95 -1.25 -0.36 0.00 0.00 175.35 175.48 2k1m s PRO 15 N -0.36 2.54 1.04 4.03 0.04 -1.24 -4.88 135.00 136.16 2k1m s PRO 15 Ca 0.52 -0.45 -0.16 0.00 0.04 0.00 0.00 61.00 60.96 2k1m s PRO 15 Cb -0.33 -5.09 0.07 0.00 0.04 0.00 0.00 34.50 29.18 2k1m s PRO 15 CO 0.38 -3.49 0.16 -2.13 0.04 0.00 0.00 177.00 171.96 2k1m n ARG 16 N 8.75 -0.95 -2.32 4.56 0.63 -1.26 -4.63 116.66 121.44 2k1m n ARG 16 Ca 0.41 -0.25 -0.33 0.00 -0.92 0.00 0.00 57.85 56.77 2k1m n ARG 16 Cb 0.47 -1.75 -0.02 0.00 0.45 0.00 0.00 32.46 31.61 2k1m n ARG 16 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2k1m s SER 17 N -1.90 6.30 -0.01 6.15 1.04 -1.26 -4.88 113.70 119.14 2k1m s SER 17 Ca 0.56 1.72 -0.06 0.00 0.48 0.00 0.00 55.95 58.65 2k1m s SER 17 Cb -0.16 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2k1m s SER 17 CO 0.67 -0.81 0.13 0.68 0.98 0.00 0.00 173.24 174.89 2k1m s VAL 18 N -2.44 0.06 -0.16 5.02 -7.23 -1.23 -5.01 120.40 109.41 2k1m s VAL 18 Ca 0.62 -0.53 -0.05 0.00 -1.81 0.00 0.00 61.98 60.21 2k1m s VAL 18 Cb -0.13 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.42 2k1m s VAL 18 CO 0.30 -0.29 -0.01 -1.83 -0.31 0.00 0.00 175.10 172.96 2k1m s GLU 19 N -1.02 3.73 -0.02 4.82 -1.05 -1.26 -1.26 118.70 122.65 2k1m s GLU 19 Ca -0.11 -0.47 0.01 0.00 -0.15 0.00 0.00 54.97 54.25 2k1m s GLU 19 Cb -0.06 -2.99 0.01 0.00 -0.44 0.00 0.00 34.13 30.65 2k1m s GLU 19 CO 0.01 0.27 -0.02 0.14 0.95 0.00 0.00 175.26 176.61 2k1m s VAL 20 N 0.30 0.26 0.74 1.83 -7.23 -0.75 -4.80 120.40 110.76 2k1m s VAL 20 Ca -0.01 -0.06 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 2k1m s VAL 20 Cb -0.14 -0.28 0.05 0.00 0.56 0.00 0.00 36.38 36.57 2k1m s VAL 20 CO 0.02 0.11 1.14 0.00 -0.31 0.00 0.00 175.10 176.07 2k1m s ALA 21 N 0.40 2.16 -0.28 1.32 0.00 -1.26 -1.34 121.76 122.75 2k1m s ALA 21 Ca -0.04 0.61 -0.39 0.00 0.00 0.00 0.00 51.96 52.14 2k1m s ALA 21 Cb -0.07 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.52 2k1m s ALA 21 CO -0.01 -1.80 1.84 0.00 0.00 0.00 0.00 175.76 175.80 2k1m n ALA 22 N -3.00 0.12 0.00 0.00 0.00 -1.22 -0.11 120.51 116.30 2k1m n ALA 22 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2k1m n ALA 22 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 4.70 2.56 3.62 0.00 0.00 -0.63 -5.00 105.19 110.43 2k1m n GLY 23 Ca 0.29 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 2k1m n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1m n SER 24 N 0.97 1.65 -4.71 1.61 2.88 0.85 -4.68 113.62 112.19 2k1m n SER 24 Ca 0.00 1.18 -0.42 0.00 -1.33 0.00 0.00 58.87 58.30 2k1m n SER 24 Cb 0.00 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.09 2k1m n SER 24 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2k1m s PRO 25 N -1.66 4.31 -0.14 -1.46 0.04 -1.26 -4.66 135.00 130.17 2k1m s PRO 25 Ca 0.58 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.67 2k1m s PRO 25 Cb -0.66 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 30.53 2k1m s PRO 25 CO 0.60 -0.47 -0.21 0.00 0.04 0.00 0.00 177.00 176.96 2k1m s ALA 26 N 1.53 2.28 -0.05 8.56 0.00 -0.65 -4.98 121.76 128.45 2k1m s ALA 26 Ca 0.64 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.59 2k1m s ALA 26 Cb -0.35 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2k1m s ALA 26 CO 0.29 0.01 -0.23 0.08 0.00 0.00 0.00 175.76 175.91 2k1m s VAL 27 N 0.76 2.27 -0.11 0.00 1.01 -1.26 -1.30 120.40 121.77 2k1m s VAL 27 Ca -0.08 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2k1m s VAL 27 Cb -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2k1m s VAL 27 CO -0.00 0.57 -0.23 -0.36 0.00 0.00 0.00 175.10 175.08 2k1m s PHE 28 N -0.38 2.60 -0.31 5.22 0.40 -0.57 -4.95 117.98 119.99 2k1m s PHE 28 Ca 0.03 -1.08 -0.11 0.00 -0.60 0.00 0.00 56.93 55.18 2k1m s PHE 28 Cb -0.12 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 2k1m s PHE 28 CO 0.02 -0.44 0.18 -1.21 0.70 0.00 0.00 175.22 174.46 2k1m s GLU 29 N 0.44 3.50 -0.15 0.44 2.02 -1.26 -1.43 118.70 122.26 2k1m s GLU 29 Ca -0.16 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2k1m s GLU 29 Cb -0.17 -3.63 0.03 0.00 0.10 0.00 0.00 34.13 30.45 2k1m s GLU 29 CO 0.07 -0.37 -0.11 0.00 0.02 0.00 0.00 175.26 174.87 2k1m s ALA 30 N 1.67 1.67 -0.12 5.21 0.00 0.20 -3.66 121.76 126.72 2k1m s ALA 30 Ca 0.06 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2k1m s ALA 30 Cb -0.17 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2k1m s ALA 30 CO 0.08 -0.50 0.10 -2.00 0.00 0.00 0.00 175.76 173.44 2k1m s GLU 31 N 1.56 3.43 0.31 0.00 2.12 0.85 -0.14 118.70 126.84 2k1m s GLU 31 Ca 0.04 -0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.18 2k1m s GLU 31 Cb -0.13 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2k1m s GLU 31 CO -0.09 0.69 0.47 0.95 -0.54 0.00 0.00 175.26 176.74 2k1m s THR 32 N -0.80 5.04 -2.28 -1.70 -4.23 0.44 -1.00 115.64 111.11 2k1m s THR 32 Ca 0.13 -0.72 0.28 0.00 -1.18 0.00 0.00 61.69 60.20 2k1m s THR 32 Cb -0.12 -3.81 0.65 0.00 1.34 0.00 0.00 72.50 70.56 2k1m s THR 32 CO 0.03 -0.42 1.87 1.21 -0.54 0.00 0.00 174.62 176.77 2k1m n GLU 33 N -1.63 1.41 -3.83 3.99 0.00 -0.45 -3.58 120.64 116.55 2k1m n GLU 33 Ca -0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 57.16 56.37 2k1m n GLU 33 Cb 0.57 -1.46 -0.12 0.00 0.00 0.00 0.00 31.44 30.42 2k1m n GLU 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2k1m s ARG 34 N -1.98 0.21 0.01 5.31 0.52 -1.26 -4.94 118.95 116.82 2k1m s ARG 34 Ca 0.40 0.15 -0.20 0.00 -0.52 0.00 0.00 55.73 55.56 2k1m s ARG 34 Cb 0.20 0.10 -0.06 0.00 0.52 0.00 0.00 34.95 35.72 2k1m s ARG 34 CO 0.33 -0.03 0.58 0.00 0.02 0.00 0.00 175.30 176.20 2k1m s ALA 35 N -0.07 3.51 0.00 2.13 0.00 -1.26 -4.01 121.76 122.05 2k1m s ALA 35 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2k1m s ALA 35 Cb -0.02 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2k1m s ALA 35 CO 0.00 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2k1m n GLY 36 N 2.33 2.24 3.67 0.00 0.00 -1.26 -5.05 105.19 107.12 2k1m n GLY 36 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.41 3.55 0.14 1.61 -7.23 -1.26 -4.96 120.40 109.85 2k1m s VAL 37 Ca 0.00 0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 60.62 2k1m s VAL 37 Cb 0.00 -3.49 -0.08 0.00 0.56 0.00 0.00 36.38 33.37 2k1m s VAL 37 CO 0.00 -0.05 1.32 -0.75 -0.31 0.00 0.00 175.10 175.32 2k1m s LYS 38 N 3.60 4.37 -0.36 4.82 2.20 -1.26 -4.71 119.74 128.40 2k1m s LYS 38 Ca 0.71 2.02 -0.13 0.00 -0.36 0.00 0.00 55.97 58.21 2k1m s LYS 38 Cb -0.34 -3.24 -0.00 0.00 -1.51 0.00 0.00 37.83 32.74 2k1m s LYS 38 CO 0.29 -0.33 0.24 0.08 -0.36 0.00 0.00 175.35 175.27 2k1m s VAL 39 N 0.68 5.14 0.29 4.02 1.01 -1.26 -4.01 120.40 126.27 2k1m s VAL 39 Ca 0.60 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2k1m s VAL 39 Cb -0.35 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2k1m s VAL 39 CO 0.33 -0.09 0.71 -0.60 0.00 0.00 0.00 175.10 175.45 2k1m s ARG 40 N 1.69 4.02 -0.00 2.72 3.00 0.10 -4.93 118.95 125.54 2k1m s ARG 40 Ca 0.05 0.66 0.04 0.00 -1.00 0.00 0.00 55.73 55.48 2k1m s ARG 40 Cb -0.18 -2.54 -0.01 0.00 0.00 0.00 0.00 34.95 32.22 2k1m s ARG 40 CO 0.10 0.22 -0.14 -1.58 0.00 0.00 0.00 175.30 173.90 2k1m s TRP 41 N -1.88 1.21 -0.03 5.12 0.52 -1.25 -1.12 118.94 121.52 2k1m s TRP 41 Ca 0.51 -0.24 -0.15 0.00 0.02 0.00 0.00 56.10 56.24 2k1m s TRP 41 Cb -0.11 -0.77 0.03 0.00 -1.15 0.00 0.00 33.47 31.46 2k1m s TRP 41 CO 0.18 -0.01 0.33 -1.14 0.02 0.00 0.00 176.95 176.33 2k1m s GLN 42 N -0.41 0.65 0.41 4.98 0.74 0.90 -0.07 119.66 126.86 2k1m s GLN 42 Ca 0.05 -0.08 0.06 0.00 0.05 0.00 0.00 55.36 55.44 2k1m s GLN 42 Cb -0.05 0.29 0.06 0.00 1.10 0.00 0.00 33.01 34.40 2k1m s GLN 42 CO -0.00 -0.17 0.47 0.54 -0.55 0.00 0.00 175.29 175.57 2k1m n ARG 43 N 1.48 0.79 -1.58 1.67 1.74 -0.10 -0.31 116.66 120.34 2k1m n ARG 43 Ca -0.20 -2.36 -0.40 0.00 -0.77 0.00 0.00 57.85 54.12 2k1m n ARG 43 Cb 0.56 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.99 2k1m n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k1m n GLY 44 N -0.00 4.49 0.00 -0.13 0.00 -1.20 -3.85 105.19 104.50 2k1m n GLY 44 Ca 0.06 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2k1m n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1m n GLY 45 N 3.29 1.49 3.11 -0.02 0.00 -1.26 -4.97 105.19 106.83 2k1m n GLY 45 Ca 0.68 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.53 2k1m n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1m s SER 46 N 0.00 0.65 0.50 1.61 0.01 -1.25 -5.15 113.70 110.07 2k1m s SER 46 Ca 0.00 -0.99 -0.19 0.00 1.31 0.00 0.00 55.95 56.08 2k1m s SER 46 Cb 0.00 0.17 -0.08 0.00 0.21 0.00 0.00 66.02 66.32 2k1m s SER 46 CO 0.00 -0.56 1.03 1.51 0.41 0.00 0.00 173.24 175.63 2k1m s ASP 47 N -2.91 6.31 -0.03 2.44 -4.77 -1.26 -0.92 116.67 115.53 2k1m s ASP 47 Ca 0.08 1.86 0.03 0.00 -3.30 0.00 0.00 52.55 51.22 2k1m s ASP 47 Cb 0.07 -2.55 -0.03 0.00 -1.09 0.00 0.00 42.92 39.32 2k1m s ASP 47 CO -0.08 -0.81 -0.11 -0.63 0.70 0.00 0.00 175.17 174.24 2k1m s ILE 48 N -2.13 3.37 0.14 2.11 1.01 0.90 -4.76 121.20 121.83 2k1m s ILE 48 Ca 0.66 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 2k1m s ILE 48 Cb -0.15 -2.39 0.07 0.00 0.01 0.00 0.00 42.46 40.00 2k1m s ILE 48 CO 0.23 0.50 0.65 -0.55 0.00 0.00 0.00 174.94 175.78 2k1m s SER 49 N -1.06 -0.52 -0.71 3.58 0.15 -1.26 -3.97 113.70 109.92 2k1m s SER 49 Ca 0.14 -0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.51 2k1m s SER 49 Cb -0.11 0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 64.67 2k1m s SER 49 CO 0.04 -0.92 2.30 0.00 1.20 0.00 0.00 173.24 175.85 2k1m s ALA 50 N -3.65 1.22 0.20 5.45 0.00 -1.26 -4.40 121.76 119.31 2k1m s ALA 50 Ca 0.02 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 2k1m s ALA 50 Cb -0.01 -4.49 0.05 0.00 0.00 0.00 0.00 23.12 18.67 2k1m s ALA 50 CO -0.12 -5.19 0.64 -1.13 0.00 0.00 0.00 175.76 169.97 2k1m n SER 51 N 16.75 -1.40 -4.57 0.00 3.41 -1.26 -4.93 113.62 121.62 2k1m n SER 51 Ca 0.41 -1.86 -0.42 0.00 -0.26 0.00 0.00 58.87 56.74 2k1m n SER 51 Cb 0.48 2.30 0.01 0.00 -0.26 0.00 0.00 64.21 66.74 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 -1.22 0.72 0.00 4.04 5.15 -1.26 -0.61 115.26 122.09 2k1m n ASN 52 Ca -0.04 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.96 2k1m n ASN 52 Cb 0.41 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 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 0.30 -0.52 -4.00 1.20 4.81 -1.26 -4.92 118.16 113.78 2k1m n LYS 53 Ca 0.10 0.13 -0.12 0.00 -0.87 0.00 0.00 58.31 57.55 2k1m n LYS 53 Cb 0.38 -3.70 -0.03 0.00 0.02 0.00 0.00 35.03 31.70 2k1m n LYS 53 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2k1m s TYR 54 N -2.01 0.66 -0.28 5.64 2.02 0.22 -4.27 117.35 119.34 2k1m s TYR 54 Ca 0.00 -1.04 -0.23 0.00 -0.37 0.00 0.00 57.07 55.43 2k1m s TYR 54 Cb 0.00 0.22 0.09 0.00 -0.40 0.00 0.00 41.96 41.87 2k1m s TYR 54 CO 0.00 -1.22 0.80 0.20 -1.57 0.00 0.00 175.55 173.76 2k1m s GLY 55 N -3.15 -0.43 -0.02 0.71 0.00 0.86 -4.10 107.32 101.19 2k1m s GLY 55 Ca 0.25 2.31 0.00 0.00 0.00 0.00 0.00 44.72 47.27 2k1m s GLY 55 CO 0.16 1.92 0.03 1.08 0.00 0.00 0.00 173.10 176.28 2k1m s LEU 56 N 0.59 1.15 -0.15 0.66 1.43 -1.26 -0.12 118.68 120.98 2k1m s LEU 56 Ca -0.01 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2k1m s LEU 56 Cb -0.05 -0.06 0.04 0.00 0.03 0.00 0.00 46.19 46.15 2k1m s LEU 56 CO -0.05 -0.12 -0.02 0.00 0.23 0.00 0.00 176.35 176.39 2k1m s ALA 57 N 0.98 1.19 -0.12 4.21 0.00 0.70 -4.90 121.76 123.81 2k1m s ALA 57 Ca -0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 2k1m s ALA 57 Cb -0.12 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2k1m s ALA 57 CO -0.03 -0.80 0.00 -0.08 0.00 0.00 0.00 175.76 174.86 2k1m s THR 58 N 1.77 4.30 -0.32 0.00 -1.32 -1.26 -0.10 115.64 118.70 2k1m s THR 58 Ca 0.01 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2k1m s THR 58 Cb -0.15 -2.85 0.14 0.00 -1.51 0.00 0.00 72.50 68.13 2k1m s THR 58 CO -0.07 0.55 0.30 -1.61 -2.21 0.00 0.00 174.62 171.58 2k1m s GLU 59 N -0.31 0.43 5.23 7.08 8.01 -0.40 -5.03 118.70 133.71 2k1m s GLU 59 Ca 0.07 -0.48 0.00 0.00 0.01 0.00 0.00 54.97 54.56 2k1m s GLU 59 Cb -0.12 -0.76 0.00 0.00 -4.31 0.00 0.00 34.13 28.94 2k1m s GLU 59 CO 0.02 -1.09 0.00 0.41 0.01 0.00 0.00 175.26 174.61 2k1m n GLY 60 N 4.88 1.71 0.23 -1.39 0.00 -1.26 -2.84 105.19 106.52 2k1m n GLY 60 Ca 0.03 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2k1m n GLY 60 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k1m n THR 61 N 0.00 1.98 -4.52 2.61 -1.04 -1.26 -4.20 114.28 107.85 2k1m n THR 61 Ca 0.00 -2.34 -0.22 0.00 -2.04 0.00 0.00 64.05 59.44 2k1m n THR 61 Cb 0.00 -0.24 -0.16 0.00 -1.82 0.00 0.00 70.33 68.11 2k1m n THR 61 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1m s ARG 62 N -2.92 1.23 -0.02 -2.82 1.70 -1.13 -0.42 118.95 114.58 2k1m s ARG 62 Ca 0.34 -0.39 0.07 0.00 -0.47 0.00 0.00 55.73 55.28 2k1m s ARG 62 Cb 0.30 -1.11 -0.02 0.00 -0.57 0.00 0.00 34.95 33.54 2k1m s ARG 62 CO 0.02 0.14 -0.22 -1.01 -1.08 0.00 0.00 175.30 173.15 2k1m s HIS 63 N 0.20 2.44 -0.20 5.89 3.76 0.81 -1.28 115.29 126.92 2k1m s HIS 63 Ca -0.04 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.52 2k1m s HIS 63 Cb -0.10 -1.52 0.05 0.00 1.11 0.00 0.00 32.58 32.11 2k1m s HIS 63 CO 0.01 0.05 -0.08 0.99 -0.85 0.00 0.00 174.74 174.87 2k1m s THR 64 N -0.68 1.48 -0.44 1.30 2.01 0.85 -0.63 115.64 119.53 2k1m s THR 64 Ca 0.11 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 2k1m s THR 64 Cb -0.10 -1.63 0.04 0.00 0.01 0.00 0.00 72.50 70.82 2k1m s THR 64 CO 0.00 0.10 0.40 -0.22 -0.69 0.00 0.00 174.62 174.21 2k1m s LEU 65 N 1.46 5.16 -0.32 4.42 2.96 -0.51 -0.22 118.68 131.62 2k1m s LEU 65 Ca -0.02 -0.94 -0.10 0.00 -0.22 0.00 0.00 54.13 52.85 2k1m s LEU 65 Cb -0.17 -2.27 -0.00 0.00 0.50 0.00 0.00 46.19 44.25 2k1m s LEU 65 CO -0.08 -0.59 0.16 -0.89 -1.32 0.00 0.00 176.35 173.64 2k1m s THR 66 N 1.92 4.64 -0.11 3.68 2.01 0.83 -1.52 115.64 127.10 2k1m s THR 66 Ca 0.08 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.62 2k1m s THR 66 Cb -0.20 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 68.94 2k1m s THR 66 CO 0.10 0.02 -0.08 0.54 -0.69 0.00 0.00 174.62 174.52 2k1m s VAL 67 N 1.61 1.03 -0.15 3.82 0.11 -0.42 -0.10 120.40 126.31 2k1m s VAL 67 Ca 0.04 -0.31 0.22 0.00 -2.93 0.00 0.00 61.98 59.00 2k1m s VAL 67 Cb -0.17 -1.04 -0.15 0.00 -1.53 0.00 0.00 36.38 33.49 2k1m s VAL 67 CO 0.07 0.36 0.80 0.54 -3.33 0.00 0.00 175.10 173.54 2k1m n ARG 68 N 4.76 0.62 0.13 1.54 1.74 -1.26 -1.64 116.66 122.56 2k1m n ARG 68 Ca -0.14 -0.02 0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2k1m n ARG 68 Cb 0.50 -1.69 0.50 0.00 -1.02 0.00 0.00 32.46 30.75 2k1m n ARG 68 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2k1m n GLU 69 N -2.49 0.14 -1.55 5.56 4.07 -1.26 -4.47 120.64 120.64 2k1m n GLU 69 Ca -0.02 0.53 -0.45 0.00 -0.06 0.00 0.00 57.16 57.16 2k1m n GLU 69 Cb 0.56 -1.87 -0.02 0.00 -0.06 0.00 0.00 31.44 30.05 2k1m n GLU 69 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2k1m n VAL 70 N -2.16 1.98 -2.63 6.31 3.14 -1.26 -4.79 118.33 118.93 2k1m n VAL 70 Ca 0.00 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2k1m n VAL 70 Cb 0.11 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 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 1.38 2.22 0.21 7.55 0.00 -1.26 -1.60 105.19 113.69 2k1m n GLY 71 Ca 0.11 -0.85 0.15 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.93 -2.34 132.00 129.48 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 -0.61 0.00 -0.23 0.00 0.00 178.00 177.16 2k1m n ALA 73 N -1.94 3.45 0.36 -0.56 0.00 -1.26 -3.78 120.51 116.78 2k1m n ALA 73 Ca 0.01 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.18 2k1m n ALA 73 Cb 0.26 -1.10 0.10 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 -1.68 2.46 -4.01 0.00 8.00 -0.90 -4.83 116.55 115.58 2k1m n ASP 74 Ca 0.05 -1.70 -0.39 0.00 0.71 0.00 0.00 54.79 53.45 2k1m n ASP 74 Cb 0.37 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.35 2k1m n ASP 74 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2k1m n GLN 75 N 0.79 1.98 0.00 -1.24 7.27 -1.06 -4.53 117.38 120.60 2k1m n GLN 75 Ca 0.10 -2.32 0.00 0.00 0.07 0.00 0.00 57.00 54.85 2k1m n GLN 75 Cb 0.39 -3.27 0.00 0.00 2.41 0.00 0.00 30.24 29.77 2k1m n GLN 75 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k1m n GLY 76 N 4.89 2.10 3.34 1.69 0.00 -1.25 -4.99 105.19 110.96 2k1m n GLY 76 Ca 0.49 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 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 1.00 1.93 -0.02 1.61 1.04 -1.26 -3.87 113.70 114.12 2k1m s SER 77 Ca 0.00 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.22 2k1m s SER 77 Cb 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.13 2k1m s SER 77 CO 0.00 -0.49 -0.00 -0.31 0.98 0.00 0.00 173.24 173.42 2k1m s TYR 78 N -3.38 0.26 -0.06 5.02 1.51 0.13 -3.23 117.35 117.61 2k1m s TYR 78 Ca 0.28 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 2k1m s TYR 78 Cb 0.05 -0.34 -0.02 0.00 -0.11 0.00 0.00 41.96 41.54 2k1m s TYR 78 CO 0.09 -0.10 -0.15 0.00 -1.11 0.00 0.00 175.55 174.27 2k1m s ALA 79 N 0.85 2.61 -0.18 3.71 0.00 0.57 -0.36 121.76 128.97 2k1m s ALA 79 Ca -0.08 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 2k1m s ALA 79 Cb -0.12 -0.96 0.09 0.00 0.00 0.00 0.00 23.12 22.13 2k1m s ALA 79 CO -0.02 0.51 0.30 0.54 0.00 0.00 0.00 175.76 177.09 2k1m s VAL 80 N -0.57 -0.47 0.11 0.00 0.11 0.92 -0.07 120.40 120.44 2k1m s VAL 80 Ca 0.08 0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.27 2k1m s VAL 80 Cb -0.11 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2k1m s VAL 80 CO 0.01 -0.00 0.16 -0.63 -3.33 0.00 0.00 175.10 171.31 2k1m s ILE 81 N 2.45 4.88 -0.27 7.04 1.01 -0.27 -1.08 121.20 134.96 2k1m s ILE 81 Ca 0.04 -0.73 -0.23 0.00 0.00 0.00 0.00 60.65 59.73 2k1m s ILE 81 Cb -0.13 -3.42 0.07 0.00 0.01 0.00 0.00 42.46 38.98 2k1m s ILE 81 CO -0.11 0.03 0.70 0.00 0.00 0.00 0.00 174.94 175.56 2k1m s ALA 82 N -1.57 -1.75 0.00 9.38 0.00 -0.41 0.01 121.76 127.42 2k1m s ALA 82 Ca 0.32 2.05 0.00 0.00 0.00 0.00 0.00 51.96 54.33 2k1m s ALA 82 Cb -0.12 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2k1m s ALA 82 CO 0.25 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.08 2k1m n GLY 83 N 2.98 1.86 0.12 0.00 0.00 -1.26 -0.64 105.19 108.26 2k1m n GLY 83 Ca -0.15 0.44 0.09 0.00 0.00 0.00 0.00 46.02 46.40 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 8.40 2.18 -4.15 1.61 7.64 -1.26 -5.02 113.62 123.01 2k1m n SER 84 Ca 0.00 -3.05 -0.20 0.00 1.01 0.00 0.00 58.87 56.63 2k1m n SER 84 Cb 0.00 -0.42 -0.13 0.00 -1.01 0.00 0.00 64.21 62.65 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 -2.78 1.68 -0.16 6.43 0.15 0.19 -4.94 113.70 114.27 2k1m s SER 85 Ca 0.30 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.46 2k1m s SER 85 Cb 0.27 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2k1m s SER 85 CO 0.02 0.00 -0.21 -0.75 1.20 0.00 0.00 173.24 173.51 2k1m s LYS 86 N -1.32 3.01 0.11 5.44 2.20 -1.26 -1.28 119.74 126.63 2k1m s LYS 86 Ca 0.01 -0.84 0.10 0.00 -0.36 0.00 0.00 55.97 54.87 2k1m s LYS 86 Cb -0.08 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 2k1m s LYS 86 CO 0.02 -0.11 -0.25 0.08 -0.36 0.00 0.00 175.35 174.73 2k1m s VAL 87 N 1.05 2.06 -0.02 4.02 1.01 -0.24 -5.00 120.40 123.27 2k1m s VAL 87 Ca -0.01 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.34 2k1m s VAL 87 Cb -0.14 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2k1m s VAL 87 CO -0.07 0.08 0.00 -1.59 0.00 0.00 0.00 175.10 173.52 2k1m s LYS 88 N -1.89 0.16 0.30 2.72 -2.85 -1.26 -0.05 119.74 116.86 2k1m s LYS 88 Ca 0.11 0.06 0.10 0.00 -1.00 0.00 0.00 55.97 55.24 2k1m s LYS 88 Cb -0.10 -0.31 -0.06 0.00 -2.06 0.00 0.00 37.83 35.31 2k1m s LYS 88 CO 0.05 -0.09 -0.13 -0.59 0.10 0.00 0.00 175.35 174.69 2k1m s PHE 89 N 0.69 2.22 -0.12 1.78 -0.71 0.52 -4.95 117.98 117.41 2k1m s PHE 89 Ca -0.06 -0.49 -0.06 0.00 -1.04 0.00 0.00 56.93 55.28 2k1m s PHE 89 Cb -0.09 -1.15 -0.04 0.00 -1.21 0.00 0.00 43.02 40.52 2k1m s PHE 89 CO -0.02 0.55 0.09 -0.51 -1.34 0.00 0.00 175.22 174.00 2k1m s ASP 90 N -3.52 6.00 -0.35 1.98 1.01 -1.26 0.18 116.67 120.71 2k1m s ASP 90 Ca 0.30 0.34 -0.07 0.00 0.71 0.00 0.00 52.55 53.83 2k1m s ASP 90 Cb 0.00 -1.89 0.04 0.00 1.01 0.00 0.00 42.92 42.08 2k1m s ASP 90 CO 0.14 0.37 0.12 -0.22 0.21 0.00 0.00 175.17 175.80 2k1m s LEU 91 N -0.82 4.42 0.51 1.23 2.96 -1.25 -3.52 118.68 122.21 2k1m s LEU 91 Ca 0.13 -1.16 -0.08 0.00 -0.22 0.00 0.00 54.13 52.80 2k1m s LEU 91 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2k1m s LEU 91 CO 0.03 -0.35 0.86 -0.54 -1.32 0.00 0.00 176.35 175.03 2k1m s LYS 92 N 1.41 3.61 -0.05 1.98 1.02 -0.39 -3.86 119.74 123.47 2k1m s LYS 92 Ca -0.01 0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.45 2k1m s LYS 92 Cb -0.20 -2.28 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2k1m s LYS 92 CO 0.03 -0.29 -0.19 0.54 -0.92 0.00 0.00 175.35 174.52 2k1m s VAL 93 N -2.81 1.57 0.19 3.17 0.11 -1.26 -1.81 120.40 119.56 2k1m s VAL 93 Ca 0.50 -0.79 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 2k1m s VAL 93 Cb -0.10 -1.34 -0.06 0.00 -1.53 0.00 0.00 36.38 33.34 2k1m s VAL 93 CO 0.45 0.45 0.45 -0.63 -3.33 0.00 0.00 175.10 172.49 2k1m s ILE 94 N -0.01 5.08 0.00 7.04 1.01 -0.45 -4.79 121.20 129.08 2k1m s ILE 94 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2k1m s ILE 94 Cb -0.12 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2k1m s ILE 94 CO 0.02 -0.05 0.30 1.21 0.00 0.00 0.00 174.94 176.42